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  Subjects -> CHEMISTRY (Total: 852 journals)
    - ANALYTICAL CHEMISTRY (52 journals)
    - CHEMISTRY (598 journals)
    - CRYSTALLOGRAPHY (21 journals)
    - ELECTROCHEMISTRY (25 journals)
    - INORGANIC CHEMISTRY (41 journals)
    - ORGANIC CHEMISTRY (46 journals)
    - PHYSICAL CHEMISTRY (69 journals)

CHEMISTRY (598 journals)                  1 2 3 | Last

Showing 1 - 200 of 735 Journals sorted alphabetically
2D Materials     Hybrid Journal   (Followers: 10)
Accreditation and Quality Assurance: Journal for Quality, Comparability and Reliability in Chemical Measurement     Hybrid Journal   (Followers: 26)
ACS Catalysis     Full-text available via subscription   (Followers: 38)
ACS Chemical Neuroscience     Full-text available via subscription   (Followers: 18)
ACS Combinatorial Science     Full-text available via subscription   (Followers: 23)
ACS Macro Letters     Full-text available via subscription   (Followers: 24)
ACS Medicinal Chemistry Letters     Full-text available via subscription   (Followers: 39)
ACS Nano     Full-text available via subscription   (Followers: 252)
ACS Photonics     Full-text available via subscription   (Followers: 12)
ACS Synthetic Biology     Full-text available via subscription   (Followers: 23)
Acta Chemica Iasi     Open Access   (Followers: 2)
Acta Chimica Sinica     Full-text available via subscription   (Followers: 1)
Acta Chimica Slovaca     Open Access   (Followers: 1)
Acta Chimica Slovenica     Open Access  
Acta Chromatographica     Full-text available via subscription   (Followers: 9)
Acta Facultatis Medicae Naissensis     Open Access  
Acta Metallurgica Sinica (English Letters)     Hybrid Journal   (Followers: 5)
Acta Scientifica Naturalis     Open Access   (Followers: 2)
adhäsion KLEBEN & DICHTEN     Hybrid Journal   (Followers: 5)
Adhesion Adhesives & Sealants     Hybrid Journal   (Followers: 8)
Adsorption Science & Technology     Full-text available via subscription   (Followers: 5)
Advanced Functional Materials     Hybrid Journal   (Followers: 51)
Advanced Science Focus     Free   (Followers: 3)
Advances in Chemical Engineering and Science     Open Access   (Followers: 57)
Advances in Chemical Science     Open Access   (Followers: 13)
Advances in Chemistry     Open Access   (Followers: 15)
Advances in Colloid and Interface Science     Full-text available via subscription   (Followers: 18)
Advances in Drug Research     Full-text available via subscription   (Followers: 22)
Advances in Enzyme Research     Open Access   (Followers: 9)
Advances in Fluorine Science     Full-text available via subscription   (Followers: 8)
Advances in Fuel Cells     Full-text available via subscription   (Followers: 16)
Advances in Heterocyclic Chemistry     Full-text available via subscription   (Followers: 9)
Advances in Materials Physics and Chemistry     Open Access   (Followers: 21)
Advances in Nanoparticles     Open Access   (Followers: 15)
Advances in Organometallic Chemistry     Full-text available via subscription   (Followers: 15)
Advances in Polymer Science     Hybrid Journal   (Followers: 41)
Advances in Protein Chemistry     Full-text available via subscription   (Followers: 18)
Advances in Protein Chemistry and Structural Biology     Full-text available via subscription   (Followers: 20)
Advances in Quantum Chemistry     Full-text available via subscription   (Followers: 5)
Advances in Science and Technology     Full-text available via subscription   (Followers: 12)
African Journal of Bacteriology Research     Open Access  
African Journal of Chemical Education     Open Access   (Followers: 2)
African Journal of Pure and Applied Chemistry     Open Access   (Followers: 7)
Agrokémia és Talajtan     Full-text available via subscription   (Followers: 2)
Al-Kimia : Jurnal Penelitian Sains Kimia     Open Access  
Alkaloids: Chemical and Biological Perspectives     Full-text available via subscription   (Followers: 3)
AMB Express     Open Access   (Followers: 1)
Ambix     Hybrid Journal   (Followers: 3)
American Journal of Biochemistry and Biotechnology     Open Access   (Followers: 66)
American Journal of Biochemistry and Molecular Biology     Open Access   (Followers: 15)
American Journal of Chemistry     Open Access   (Followers: 27)
American Journal of Plant Physiology     Open Access   (Followers: 14)
American Mineralogist     Hybrid Journal   (Followers: 14)
Analyst     Full-text available via subscription   (Followers: 39)
Angewandte Chemie     Hybrid Journal   (Followers: 179)
Angewandte Chemie International Edition     Hybrid Journal   (Followers: 229)
Annales UMCS, Chemia     Open Access   (Followers: 1)
Annals of Clinical Chemistry and Laboratory Medicine     Open Access   (Followers: 4)
Annual Reports in Computational Chemistry     Full-text available via subscription   (Followers: 3)
Annual Reports Section A (Inorganic Chemistry)     Full-text available via subscription   (Followers: 4)
Annual Reports Section B (Organic Chemistry)     Full-text available via subscription   (Followers: 8)
Annual Review of Chemical and Biomolecular Engineering     Full-text available via subscription   (Followers: 12)
Annual Review of Food Science and Technology     Full-text available via subscription   (Followers: 16)
Anti-Infective Agents     Hybrid Journal   (Followers: 3)
Antiviral Chemistry and Chemotherapy     Hybrid Journal   (Followers: 1)
Applied Organometallic Chemistry     Hybrid Journal   (Followers: 7)
Applied Spectroscopy     Full-text available via subscription   (Followers: 22)
Applied Surface Science     Hybrid Journal   (Followers: 28)
Arabian Journal of Chemistry     Open Access   (Followers: 6)
ARKIVOC     Open Access   (Followers: 2)
Asian Journal of Biochemistry     Open Access   (Followers: 1)
Atomization and Sprays     Full-text available via subscription   (Followers: 4)
Australian Journal of Chemistry     Hybrid Journal   (Followers: 7)
Autophagy     Hybrid Journal   (Followers: 2)
Avances en Quimica     Open Access   (Followers: 1)
Biochemical Pharmacology     Hybrid Journal   (Followers: 10)
Biochemistry     Full-text available via subscription   (Followers: 326)
Biochemistry Insights     Open Access   (Followers: 6)
Biochemistry Research International     Open Access   (Followers: 6)
BioChip Journal     Hybrid Journal  
Bioinorganic Chemistry and Applications     Open Access   (Followers: 9)
Bioinspired Materials     Open Access   (Followers: 5)
Biointerface Research in Applied Chemistry     Open Access   (Followers: 2)
Biointerphases     Open Access   (Followers: 1)
Biology, Medicine, & Natural Product Chemistry     Open Access   (Followers: 1)
Biomacromolecules     Full-text available via subscription   (Followers: 19)
Biomass Conversion and Biorefinery     Partially Free   (Followers: 10)
Biomedical Chromatography     Hybrid Journal   (Followers: 6)
Biomolecular NMR Assignments     Hybrid Journal   (Followers: 3)
BioNanoScience     Partially Free   (Followers: 5)
Bioorganic & Medicinal Chemistry     Hybrid Journal   (Followers: 120)
Bioorganic & Medicinal Chemistry Letters     Hybrid Journal   (Followers: 85)
Bioorganic Chemistry     Hybrid Journal   (Followers: 10)
Biopolymers     Hybrid Journal   (Followers: 18)
Biosensors     Open Access   (Followers: 2)
Biotechnic and Histochemistry     Hybrid Journal   (Followers: 1)
Bitácora Digital     Open Access  
Boletin de la Sociedad Chilena de Quimica     Open Access  
Bulletin of the Chemical Society of Ethiopia     Open Access   (Followers: 2)
Bulletin of the Chemical Society of Japan     Full-text available via subscription   (Followers: 24)
Bulletin of the Korean Chemical Society     Hybrid Journal   (Followers: 1)
C - Journal of Carbon Research     Open Access   (Followers: 3)
Cakra Kimia (Indonesian E-Journal of Applied Chemistry)     Open Access  
Canadian Association of Radiologists Journal     Full-text available via subscription   (Followers: 3)
Canadian Journal of Chemistry     Hybrid Journal   (Followers: 10)
Canadian Mineralogist     Full-text available via subscription   (Followers: 5)
Carbohydrate Research     Hybrid Journal   (Followers: 26)
Carbon     Hybrid Journal   (Followers: 68)
Catalysis for Sustainable Energy     Open Access   (Followers: 7)
Catalysis Reviews: Science and Engineering     Hybrid Journal   (Followers: 8)
Catalysis Science and Technology     Free   (Followers: 7)
Catalysis Surveys from Asia     Hybrid Journal   (Followers: 3)
Catalysts     Open Access   (Followers: 8)
Cellulose     Hybrid Journal   (Followers: 7)
Cereal Chemistry     Full-text available via subscription   (Followers: 5)
ChemBioEng Reviews     Full-text available via subscription   (Followers: 1)
ChemCatChem     Hybrid Journal   (Followers: 8)
Chemical and Engineering News     Free   (Followers: 15)
Chemical Bulletin of Kazakh National University     Open Access  
Chemical Communications     Full-text available via subscription   (Followers: 70)
Chemical Engineering Research and Design     Hybrid Journal   (Followers: 25)
Chemical Research in Chinese Universities     Hybrid Journal   (Followers: 3)
Chemical Research in Toxicology     Full-text available via subscription   (Followers: 21)
Chemical Reviews     Full-text available via subscription   (Followers: 184)
Chemical Science     Open Access   (Followers: 22)
Chemical Technology     Open Access   (Followers: 16)
Chemical Vapor Deposition     Hybrid Journal   (Followers: 5)
Chemical Week     Full-text available via subscription   (Followers: 8)
Chemie in Unserer Zeit     Hybrid Journal   (Followers: 56)
Chemie-Ingenieur-Technik (Cit)     Hybrid Journal   (Followers: 24)
ChemInform     Hybrid Journal   (Followers: 8)
Chemistry & Biodiversity     Hybrid Journal   (Followers: 6)
Chemistry & Biology     Full-text available via subscription   (Followers: 30)
Chemistry & Industry     Hybrid Journal   (Followers: 5)
Chemistry - A European Journal     Hybrid Journal   (Followers: 146)
Chemistry - An Asian Journal     Hybrid Journal   (Followers: 15)
Chemistry and Materials Research     Open Access   (Followers: 20)
Chemistry Central Journal     Open Access   (Followers: 4)
Chemistry Education Research and Practice     Free   (Followers: 5)
Chemistry in Education     Open Access   (Followers: 9)
Chemistry International     Hybrid Journal   (Followers: 2)
Chemistry Letters     Full-text available via subscription   (Followers: 42)
Chemistry of Materials     Full-text available via subscription   (Followers: 246)
Chemistry of Natural Compounds     Hybrid Journal   (Followers: 9)
Chemistry World     Full-text available via subscription   (Followers: 22)
Chemistry-Didactics-Ecology-Metrology     Open Access   (Followers: 1)
ChemistryOpen     Open Access   (Followers: 2)
Chemkon - Chemie Konkret, Forum Fuer Unterricht Und Didaktik     Hybrid Journal  
Chemoecology     Hybrid Journal   (Followers: 4)
Chemometrics and Intelligent Laboratory Systems     Hybrid Journal   (Followers: 14)
Chemosensors     Open Access  
ChemPhysChem     Hybrid Journal   (Followers: 10)
ChemPlusChem     Hybrid Journal   (Followers: 2)
ChemTexts     Hybrid Journal  
CHIMIA International Journal for Chemistry     Full-text available via subscription   (Followers: 2)
Chinese Journal of Chemistry     Hybrid Journal   (Followers: 6)
Chinese Journal of Polymer Science     Hybrid Journal   (Followers: 10)
Chromatographia     Hybrid Journal   (Followers: 24)
Clay Minerals     Full-text available via subscription   (Followers: 10)
Cogent Chemistry     Open Access  
Colloid and Interface Science Communications     Open Access  
Colloid and Polymer Science     Hybrid Journal   (Followers: 10)
Colloids and Surfaces B: Biointerfaces     Hybrid Journal   (Followers: 6)
Combinatorial Chemistry & High Throughput Screening     Hybrid Journal   (Followers: 4)
Combustion Science and Technology     Hybrid Journal   (Followers: 19)
Comments on Inorganic Chemistry: A Journal of Critical Discussion of the Current Literature     Hybrid Journal   (Followers: 2)
Composite Interfaces     Hybrid Journal   (Followers: 6)
Comprehensive Chemical Kinetics     Full-text available via subscription   (Followers: 2)
Comptes Rendus Chimie     Full-text available via subscription  
Comptes Rendus Physique     Full-text available via subscription   (Followers: 1)
Computational and Theoretical Chemistry     Hybrid Journal   (Followers: 9)
Computational Biology and Chemistry     Hybrid Journal   (Followers: 11)
Computational Chemistry     Open Access   (Followers: 2)
Computers & Chemical Engineering     Hybrid Journal   (Followers: 9)
Coordination Chemistry Reviews     Full-text available via subscription   (Followers: 3)
Copernican Letters     Open Access   (Followers: 1)
Corrosion Series     Full-text available via subscription   (Followers: 6)
Critical Reviews in Biochemistry and Molecular Biology     Hybrid Journal   (Followers: 5)
Croatica Chemica Acta     Open Access  
Crystal Structure Theory and Applications     Open Access   (Followers: 4)
CrystEngComm     Full-text available via subscription   (Followers: 13)
Current Catalysis     Hybrid Journal   (Followers: 2)
Current Metabolomics     Hybrid Journal   (Followers: 5)
Current Opinion in Colloid & Interface Science     Hybrid Journal   (Followers: 9)
Current Opinion in Molecular Therapeutics     Full-text available via subscription   (Followers: 18)
Current Research in Chemistry     Open Access   (Followers: 8)
Current Science     Open Access   (Followers: 64)
Dalton Transactions     Full-text available via subscription   (Followers: 23)
Detection     Open Access   (Followers: 2)
Developments in Geochemistry     Full-text available via subscription   (Followers: 2)
Diamond and Related Materials     Hybrid Journal   (Followers: 12)
Dislocations in Solids     Full-text available via subscription  
Doklady Chemistry     Hybrid Journal  
Drying Technology: An International Journal     Hybrid Journal   (Followers: 4)
Eclética Química     Open Access   (Followers: 1)
Ecological Chemistry and Engineering S     Open Access   (Followers: 3)
Ecotoxicology and Environmental Contamination     Open Access  
Educación Química     Open Access   (Followers: 1)
Education for Chemical Engineers     Hybrid Journal   (Followers: 5)
EJNMMI Radiopharmacy and Chemistry     Open Access  

        1 2 3 | Last

Journal Cover Chemical Engineering Research and Design
  [SJR: 0.873]   [H-I: 65]   [25 followers]  Follow
    
   Hybrid Journal Hybrid journal (It can contain Open Access articles)
   ISSN (Print) 0263-8762 - ISSN (Online) 0263-8762
   Published by Elsevier Homepage  [3118 journals]
  • Adsorption of cationic dyes onto Fe@graphite core-shell magnetic
           nanocomposite: Equilibrium, kinetics and thermodynamics
    • Authors: Wojciech Konicki; Agnieszka Hełminiak; Walerian Arabczyk; Ewa Mijowska
      Pages: 155 - 164
      Abstract: Publication date: Available online 11 November 2017
      Source:Chemical Engineering Research and Design
      Author(s): Wojciech Konicki, Agnieszka Hełminiak, Walerian Arabczyk, Ewa Mijowska
      Magnetically separable Fe@graphite core-shell nanocomposite particles (Fe@G) were synthesized by chemical vapor deposition CVD process and characterized by XRD, HRTEM, HAADF-STEM, FTIR, Raman spectroscopy, BET and zeta potential measurements. Nanocomposite was used to adsorb two cationic dyes, Basic Yellow 28 (BY28) and Basic Red 46 (BR46), from aqueous solutions. Adsorption process was investigated under different experimental conditions of pH (3-11), initial dye concentration (10–50mgL−1) and temperature (20–60°C). The adsorption kinetics were examined using pseudo-first-order, pseudo-second-order and intraparticle diffusion model. The equilibrium adsorption data were analyzed by Langmuir, Freundlich and Temkin isotherm models. The results revealed that the pseudo-second-order model and Langmuir isotherm fit the kinetics and equilibrium data, respectively. In addition, various thermodynamic parameters, such as change in free energy (ΔGoo), enthalpy (ΔHoo) and entropy (ΔSoo), were also calculated. The thermodynamic analysis showed that the adsorption of BY28 and BR46 was spontaneous and endothermic.
      Graphical abstract image

      PubDate: 2017-11-16T18:33:02Z
      DOI: 10.1016/j.jcis.2017.03.008
      Issue No: Vol. 497 (2017)
       
  • An optimized process for treating sodium acetate waste residue: Coupling
           of diffusion dialysis or electrodialysis with bipolar membrane
           electrodialysis
    • Authors: Chuanyang Zhang; Shuai Xue; Guosheng Wang; Cuiming Wu; Yonghui Wu
      Pages: 174 - 182
      Abstract: Publication date: Available online 13 November 2017
      Source:Chemical Engineering Research and Design
      Author(s): Shuai Xue, Cuiming Wu, Yonghui Wu, Chuanyang Zhang
      The sodium acetate waste residue produced by insecticide factories contains mostly CH3COONa (∼76.6wt%) and other organic impurities, and had been treated by bipolar membrane electrodialysis (BMED) to generate CH3COOH and NaOH. Nevertheless, the energy consumption was high (22.3 kWh/kg for CH3COOH and 29.7kW h/kg for NaOH) and the purity of products was insufficient, as the total organic carbon (TOC) was 1.61g/L and 0.16g/L in acid and base compartments respectively. Accordingly, the BMED is coupled with diffusion dialysis (DD) or electrodialysis (ED) here to obtain an optimized process. The DD or ED is used to purify the waste residue, which has the advantage of low energy consumption or high capacity. Then the purified solution is taken for BMED to produce CH3COOH and NaOH. The coupled process shows that the product purities are improved, and the energy consumption is reduced. Coupling of BMED with DD process can have the output of 0.33mol/L CH3COOH and 0.35mol/L NaOH, current efficiency of 85.5% for CH3COOH and 93.7% for NaOH. The TOC values are 0.52g/L and 0.04g/L in acid and base compartments respectively, and the energy consumption for BMED process is reduced to 11.7 kWh/kg CH3COOH and 16.0 kWh/kg NaOH. Meanwhile, the BMED process after coupling with ED has energy consumption of 7.4 kWh/kg CH3COOH and 10.4 kWh/kg NaOH, and can yield products with TOC values of 0.13g/L and 0.01g/L in acid and base compartments respectively. In summary, the optimized DD-BMED or ED-BMED process for treating sodium acetate waste residue has significant advantages as compared with direct BMED process.
      Graphical abstract image

      PubDate: 2017-11-16T18:33:02Z
      DOI: 10.1016/j.seppur.2016.08.013
      Issue No: Vol. 173 (2017)
       
  • A multiscale CFD-PBM coupled model for the kinetics and liquid–liquid
           dispersion behavior in a suspension polymerization stirred tank
    • Authors: Le Xie; Qi Liu; Zheng-Hong Luo
      Pages: 1 - 17
      Abstract: Publication date: February 2018
      Source:Chemical Engineering Research and Design, Volume 130
      Author(s): Le Xie, Qi Liu, Zheng-Hong Luo
      Suspension polymerization of methyl methacrylate (MMA) has been considered as a liquid–liquid reactive polydispersity system, which involves the complex multiphase flow behavior at multiple time and length scales. The polymerization kinetic characteristics (i.e., gel effect and glass effect) and liquid–liquid dispersion phenomena (i.e., breakage and coalescence of liquid droplets) appearing in this process make the study of suspension polymerization complicate. In this work, a three dimensional (3D) multiscale model including Eulerian–Eulerian two-fluid model, polymerization kinetics model, population balance model (PBM) and some other constitutive models was developed to elaborate those multiscale phenomena in polymerization course. The current model was validated using the reported data in terms of conversion, molecular weight as well as droplet Sauter diameter. The developed model was then employed to investigate the influence of key operating conditions on polymerization kinetic characteristics and liquid–liquid dispersion phenomena. Furthermore, the effects of reactor structure on droplet breakage and coalescence were studied in detail. This simulation work may contribute to the preparation of polymer products and the scaling up of stirred tank polymerization reactors with multiphase flow and multiscale characteristics.
      Graphical abstract image

      PubDate: 2017-12-27T09:53:25Z
      DOI: 10.1016/j.cherd.2017.11.045
      Issue No: Vol. 130 (2017)
       
  • Adsorption kinetics and thermodynamics studies of gold(III) ions using
           thioctic acid functionalized silica coated magnetite nanoparticles
    • Authors: Nur Fadzilah Abd Razak; Mustaffa Shamsuddin; Siew Ling Lee
      Pages: 18 - 28
      Abstract: Publication date: February 2018
      Source:Chemical Engineering Research and Design, Volume 130
      Author(s): Nur Fadzilah Abd Razak, Mustaffa Shamsuddin, Siew Ling Lee
      Thioctic acid functionalized silica coated magnetite nanoparticles, RS-SR-NH-SiO2-Fe3O4, has been synthesized and its ability for the recovery of Au(III) in aqueous solutions was assessed. The results of the adsorption thermodynamics and kinetics showed that this magnetic adsorbent has good adsorption capacity for Au(III) and the best interpretation for the experimental data was given by the Langmuir isotherm model. The adsorption kinetics of RS-SR-NH-SiO2-Fe3O4 was well fitted with the pseudo-second-order rate equation. The thermodynamic parameters ΔG, ΔH and ΔS were also evaluated and the overall adsorption process was exothermic and spontaneous in nature.
      Graphical abstract image

      PubDate: 2017-12-27T09:53:25Z
      DOI: 10.1016/j.cherd.2017.12.004
      Issue No: Vol. 130 (2017)
       
  • Regeneration of caprolactam-based Brønsted acidic ionic liquid during
           transesterification of Jatropha oil
    • Authors: Hui Luo; Yong Hu; Rui Wang; Weiyu Fan; Guozhi Nan
      Pages: 29 - 34
      Abstract: Publication date: February 2018
      Source:Chemical Engineering Research and Design, Volume 130
      Author(s): Hui Luo, Yong Hu, Rui Wang, Weiyu Fan, Guozhi Nan
      As catalysts for biodiesel preparation, functional acidic ionic liquids (ILs) exhibit excellent catalytic property and good application prospect. However, regeneration and reuse of ILs are crucial issues that limit their industrial application. In this work, the regeneration of caprolactam-based Brønsted acidic IL [HSO3-bCPL][HSO4] during the transesterification of Jatropha oil was investigated. The results indicated that [HSO3-bCPL][HSO4] started to deactivate after repeating use for 9 times, and was deactivated after 12 times. The major cause of the deactivation was that the acidity decreased during the recycling process, and there was a negative linear correlation between acidity decline rate and the biodiesel yield. The deactivated [HSO3-bCPL][HSO4] could be regenerated by supplementing acidity with concentrated sulfuric acid and the dosage of H2SO4 was equal to the acidity decline rate approximately. The catalytic activity and reusability of regenerated [HSO3-bCPL][HSO4] were approached to those of the fresh one.
      Graphical abstract image

      PubDate: 2017-12-27T09:53:25Z
      DOI: 10.1016/j.cherd.2017.11.037
      Issue No: Vol. 130 (2017)
       
  • Measuring active volume using electrical resistance tomography in a
           gas-sparged model anaerobic digester
    • Authors: Siew Cheng Low; Douglas Allitt; Nicky Eshtiaghi; Rajarathinam Parthasarathy
      Pages: 42 - 51
      Abstract: Publication date: February 2018
      Source:Chemical Engineering Research and Design, Volume 130
      Author(s): Siew Cheng Low, Douglas Allitt, Nicky Eshtiaghi, Rajarathinam Parthasarathy
      Inadequate mixing in anaerobic digesters fitted with gas sparging systems is caused by many factors, and leads to dead zones where sludge remains stagnant. The present study explores a range of gas sparging configurations that can be implemented to maximize active volume, and validates electrical resistance tomography (ERT) as an effective measurement tool for analysing mixing conditions without the need for visual access to the liquid volume. Air was used as the gas phase, and xanthan gum Keltrol-T (XGKT) solutions at concentrations of 0.15 and 0.4wt% were selected as transparent simulant fluids for their rheological similarity to digested sludge. Gas flow rate, sparger nozzle orientation (upward-facing vs. downward-facing), and nozzle height were varied, and mixing performance was assessed using flow visualisation experiments. Results were then replicated with ERT for comparison. It was found that the 0.15wt% XGKT solution achieved almost complete mixing for all configurations, while the 0.4wt% XGKT solution developed stable, unmixed regions. Gas flow rate made little difference to the final mixed volume suggesting lower power input does not sacrifice steady-state active volume in the reactor. Positioning the nozzle closer to the bottom of the vessel and sparging gas downward both reduced inactive volume. ERT measurements matched flow visualisation results closely, and were able to capture details that flow visualisation ignores. It has been shown that there is great potential for implementing ERT as a method for researching flow behaviours in complex opaque materials, especially the formation and progression of active volume.

      PubDate: 2017-12-27T09:53:25Z
      DOI: 10.1016/j.cherd.2017.11.039
      Issue No: Vol. 130 (2017)
       
  • Local levels of dissipation rate of turbulent kinetic energy in a
           rotor–stator mixer with different stator slot widths—An experimental
           investigation
    • Authors: Hans Henrik Mortensen; Fredrik Innings; Andreas Håkansson
      Pages: 52 - 62
      Abstract: Publication date: February 2018
      Source:Chemical Engineering Research and Design, Volume 130
      Author(s): Hans Henrik Mortensen, Fredrik Innings, Andreas Håkansson
      Rotor–stator mixers (RSMs) are widely used for emulsification and mixing. However, relatively little is known about the relationship between RSM design, hydrodynamics and performance. Previous studies have investigated shaft power draw as a function of design. However, power draw alone is not sufficient to predict efficiency. In order to understand the effect on performance it is important to investigate how the local turbulent stress is influenced by design parameters. This study investigates the effect of stator slot width on the local dissipation rate of turbulent kinetic energy using particle image velocimetry coupled with a sub-resolution modeling approach suggested in previous studies. Results are compared to traditional shaft power draw measurements and a set of emulsification experiments. It is concluded that wider slots, although requiring less total shaft power, provide a higher maximal (time-averaged) dissipation rate of TKE, which explains why they give rise to more efficient drop breakup. Apparently, more of the power input is transformed into pumping for the narrower slots which leaves less energy for turbulent dissipation. The study illustrates the need for supplementing traditional power draw measurements with local flow characterization in order to better understand the relationship between RSM hydrodynamics and dispersion performance.

      PubDate: 2017-12-27T09:53:25Z
      DOI: 10.1016/j.cherd.2017.12.006
      Issue No: Vol. 130 (2017)
       
  • Experimental and computational investigation of mixing with
           contra-rotating, baffle-free impellers
    • Authors: P. Satjaritanun; E. Bringley; J.R. Regalbuto; J.A. Regalbuto; J. Register; J.W. Weidner; Y. Khunatorn; S. Shimpalee
      Pages: 63 - 77
      Abstract: Publication date: February 2018
      Source:Chemical Engineering Research and Design, Volume 130
      Author(s): P. Satjaritanun, E. Bringley, J.R. Regalbuto, J.A. Regalbuto, J. Register, J.W. Weidner, Y. Khunatorn, S. Shimpalee
      This work experimentally and numerically investigates the intersection of two fields: (1) single axis, contra-rotating impellers and (2) buoyancy of solid suspensions. The main goals of this study are to (1) create a working model to quantitatively understand particle mixing, (2) characterize and compare contra-rotating single shaft impellers to single shaft co-rotating dual impellers, (3) improve quantification of particle mixing through image processing for both computational and experimental techniques, and (4) make design decisions with the computational analysis. Twelve cases were studied by changing the direction of impeller rotation, impeller pumping direction, and the presence of baffles. Particles with specific gravities (SG) of 0.866 and 1.050 were introduced into the experimental and computational systems in a finite and countable number. The numerical solution was obtained using the Lattice Boltzmann method and the Discrete Particle method. A commercial LBM solver, XFlow, was used for the simulation. The input torques and mixing efficiency with various flow configurations and specific gravities was used to find an optimal design. For the mixing of the lighter particles, the contra configuration with inward opposing flow gave optimal performance of highest mixing efficiency at lowest required torque. Co-rotating impellers with baffles gave the best performance of high mixing efficiency at lowest power input for the heavier particles.
      Graphical abstract image

      PubDate: 2017-12-27T09:53:25Z
      DOI: 10.1016/j.cherd.2017.12.010
      Issue No: Vol. 130 (2017)
       
  • Design and application of thiourea modified D301 resin for the effective
           removal of toxic heavy metal ions
    • Authors: Fu-Qiang An; Yong Wang; Xiao-Yan Xue; Tuo-Ping Hu; Jian-Feng Gao; Bao-Jiao Gao
      Pages: 78 - 86
      Abstract: Publication date: February 2018
      Source:Chemical Engineering Research and Design, Volume 130
      Author(s): Fu-Qiang An, Yong Wang, Xiao-Yan Xue, Tuo-Ping Hu, Jian-Feng Gao, Bao-Jiao Gao
      High adsorption capacity, short adsorption time, and easy regeneration are very important and urgently needed for qualified adsorbents used in removing toxic heavy metals from wastewater. Based on this, a thiourea modified D301 resin (TD301) was designed and prepared via simple grafting polymerization and modification procedure. The TD301 was characterized by the scanning electron microscopy (SEM), Brunauer–Emmett–Teller (BET), Fourier transform infrared spectroscopy (FTIR) and elemental analysis. The adsorption performances of TD301 towards low concentration of toxic heavy metal ions from aqueous solution were investigated. By virtue of the abundant amine and CS groups, TD301 possesses strong adsorption ability for Hg(II), Pb(II) and Cd(II). The pH and temperature have a great influence on the adsorption capacity. The adsorption capacities of TD301 towards Hg(II), Pb(II) and Cd(II) could reach 454.1, 436.6 and 254.1mgg−1 at 293K and pH of 6, respectively. The adsorption process could be well described by the Lagergren-first-order model and was a Langmuir monolayer chemical adsorption. The adsorption thermodynamic experiment indicated that adsorption of TD301 towards Hg(II), Pb(II) and Cd(II) was an endothermic and spontaneous process drived by entropy. In addition, TD301 could be reused almost without any loss in the adsorption capacity.

      PubDate: 2017-12-27T09:53:25Z
      DOI: 10.1016/j.cherd.2017.12.001
      Issue No: Vol. 130 (2017)
       
  • Thermal degradation kinetics of waste printed circuit boards
    • Authors: Raslan A. Alenezi; Fahad M. Al-Fadhli
      Pages: 87 - 94
      Abstract: Publication date: February 2018
      Source:Chemical Engineering Research and Design, Volume 130
      Author(s): Raslan A. Alenezi, Fahad M. Al-Fadhli
      A large quantity of electronic waste, (e-waste) is generated due to a short lifespan of communication and other devices and introduction of the newly smart gadgets making limited use and generating e-waste at an alarming rate. To resolve this emerging e-waste problem, one has to thermally depolymerise in an inert atmosphere. The thermal degradation of printed circuit boards PCBs was investigated using a simultaneous thermogravimetric analyzer in the temperature range of 350–1200K. Pyrolysis experiments were carried out on PCB samples at six different heating rates of 5, 10, 20, 30, 40 and 50K/min. A unique model was developed in this study, it showed that the apparent activation energy for the upper range (Ea1, 130–97kJ/mol) was always higher than the apparent activation energy (Ea2, 97–75kJ/mol) of the lower range. The results of this study will be useful in the development of pyrolytic/incineration systems for plastic waste from any electronic component. The products from the pyrolysis of PCBs can be utilized as feedstocks in the petrochemical industry, as potential fuels—either gaseous or liquids and as non-combustible materials for filler in the cement and brick industries.

      PubDate: 2017-12-27T09:53:25Z
      DOI: 10.1016/j.cherd.2017.12.005
      Issue No: Vol. 130 (2017)
       
  • Experimental and theoretical investigation of air gap membrane
           distillation process for water desalination
    • Authors: Qusay F. Alsalhy; Salah S. Ibrahim; Fatima A. Hashim
      Pages: 95 - 108
      Abstract: Publication date: February 2018
      Source:Chemical Engineering Research and Design, Volume 130
      Author(s): Qusay F. Alsalhy, Salah S. Ibrahim, Fatima A. Hashim
      This study features an experimental and theoretical investigation of the performance of air gap membrane distillation (AGMD) system using flat-sheet poly(vinylidene fluoride-co-hexafluropropylene) (PVDF-HFP) membrane for water desalination. To provide better understanding of the factors affecting the AGMD process, the impacts of system operating parameters such as feed temperature, feed flow rate, and feed concentration on permeate flux were studied. The performance of the AGMD process was statistically optimized using the design of experiment (DOE) and Taguchi techniques. Furthermore, a theoretical model describing heat and mass transfer analysis in AGMD was used. The system performance was mostly dominated by the effect of feed temperature and feed flow rate, while feed concentration had a considerable effect on flux. It was found that the permeate flux increased by about 3.8 fold with the increase of feed temperature from 45 to 65°C for 35g/L NaCl solution. The permeate flux increased by about 30%, while the feed flow rate increased from 0.25 to 0.55L/min. The rejection factor was found to be greater than 99.9% and the permeate conductivity was less than 20μS/cm. The theoretical model results were found to have good agreement with the experimental data as the maximum deviation of model results was within 20%. The model was also used to predict thermal efficiency and temperature polarization of the AGMD system. The maximum thermal efficiency of the system was 96% and the gain output ratio (GOR) was 4.87.
      Graphical abstract image

      PubDate: 2017-12-27T09:53:25Z
      DOI: 10.1016/j.cherd.2017.12.013
      Issue No: Vol. 130 (2017)
       
  • Agromining of hyperaccumulator biomass: Study of leaching kinetics of
           extraction of nickel, magnesium, potassium, phosphorus, iron, and
           manganese from Alyssum murale ashes by sulfuric acid
    • Authors: Vivian Houzelot; Berenice Ranc; Baptiste Laubie; Marie-Odile Simonnot
      Pages: 1 - 11
      Abstract: Publication date: January 2018
      Source:Chemical Engineering Research and Design, Volume 129
      Author(s): Vivian Houzelot, Berenice Ranc, Baptiste Laubie, Marie-Odile Simonnot
      In the present study, a thorough investigation of the extraction rates and the extraction yields of 6 chemical elements (Ni, Mg, P, K, Fe and Mn) from Alyssum murale ashes is proposed. In this purpose, the impact of several parameters (temperature, stirring speed, acid concentration) on the extraction rates and on the extraction yields of each element was studied. Our first results showed that the acid leaching kinetics were neither limited nor controlled by external film diffusion. Depending on the chemical element, the impact of temperature and acid concentration were significant since the extraction yields and rates increased by increasing either the temperature or the acid concentration. All the data collected were of great consequence since it allows us to investigate and estimate the optimum conditions of selective leaching of nickel by using a Box-Behnken design of experiments. We also found that the nickel extraction rate can be perfectly estimated by the shrinking core model where only internal diffusion occurred; in this model, the apparent activation energy was estimated to be 60kJ/mol and the nickel extraction rate is expressed by the following equation: 1 − 3 ( 1 − X N i ) 2 3 + 2 ( 1 − X N i ) = k d , s t = 630.10 3 e x p ( − 60.10 3 R T ) t

      PubDate: 2017-12-27T09:53:25Z
      DOI: 10.1016/j.cherd.2017.10.030
      Issue No: Vol. 129 (2017)
       
  • Pore-expanded SBA-15 for the immobilization of a recombinant Candida
           antarctica lipase B: Application in esterification and hydrolysis as model
           reactions
    • Authors: Nathalia Saraiva Rios; Maisa Pessoa Pinheiro; Magno Luís Bezerra Lima; Denise Maria Guimarães Freire; Ivanildo José da Silva; Enrique Rodríguez-Castellón; Hosiberto Batista de Sant’Ana; André Casimiro Macedo; Luciana Rocha Barros Gonçalves
      Pages: 12 - 24
      Abstract: Publication date: January 2018
      Source:Chemical Engineering Research and Design, Volume 129
      Author(s): Nathalia Saraiva Rios, Maisa Pessoa Pinheiro, Magno Luís Bezerra Lima, Denise Maria Guimarães Freire, Ivanildo José da Silva, Enrique Rodríguez-Castellón, Hosiberto Batista de Sant’Ana, André Casimiro Macedo, Luciana Rocha Barros Gonçalves
      A pore-expanded mesoporous silica (SBA-15) was investigated for the immobilization of a recombinant Candida antarctica lipase B (LIPB). The influence of contact time and medium pH during adsorption, as well as thermal and solvent stability of the immobilized enzyme were evaluated. The best prepared biocatalyst was then evaluated in a model esterification reaction, the production of two flavour esters (e.g. methyl and ethyl butyrate) and in a model hydrolysis reaction, the ethyl hexanoate hydrolysis. The biocatalyst maintained high activity and operational stability even after five successive cycles of synthesis. A commercial C. antarctica lipase B was also immobilized on SBA-15 and evaluated under the same conditions, achieving similar volumetric productivities. In addition, the biocatalyst SBA-15-LIPB was tested in ethyl hexanoate hydrolysis. The influence of reactional medium pH was conducted (pH 5, 7 and 9.2) and the highest biocatalyst activity was at pH 5 (about 636.3U/genzyme). SBA-15-LIPB and SBA-15-LIPB-GA (crosslinked biocatalyst) were reused for 5 cycles, retaining, after the third cycle, 56.6 and 76.80%, respectively, of its initial activity. The prepared biocatalysts were able to catalyze the model reactions (esterification and hydrolysis) with high activity and reasonable stability.

      PubDate: 2017-12-27T09:53:25Z
      DOI: 10.1016/j.cherd.2017.10.032
      Issue No: Vol. 129 (2017)
       
  • Modeling of heat and mass transfer during ultrasound-assisted drying of a
           packed bed consisting of highly shrinkable material
    • Authors: Grzegorz Musielak
      Pages: 25 - 33
      Abstract: Publication date: January 2018
      Source:Chemical Engineering Research and Design, Volume 129
      Author(s): Grzegorz Musielak
      A new mathematical model describing mass and heat transport during ultrasound-assisted convective drying of a packed bed consisting of highly shrinkable small grains is proposed in this paper. The model assumes: linear volume shrinkage of grains, constant bed porosity, air incompressibility, small Biot number conditions of heat and mass exchange between grains and air. The model consists of four differential equations describing changes in the packed bed’s moisture content and temperature as well as in absolute humidity and temperature of the drying air passing through the packed bed. A modified Lax–Wendroff numerical method for solving the set of model equations is proposed. Numerical simulations of packed bed drying were performed for different drying conditions. The obtained results confirm both the high impact of ultrasounds on the heat and mass exchange between grains and air and small impact of ultrasound energy absorption.
      Graphical abstract image

      PubDate: 2017-12-27T09:53:25Z
      DOI: 10.1016/j.cherd.2017.10.031
      Issue No: Vol. 129 (2017)
       
  • The formation of complex droplets in liquid three phase systems and their
           effect on dispersion and phase separation
    • Authors: L. Hohl; M. Kraume
      Pages: 89 - 101
      Abstract: Publication date: January 2018
      Source:Chemical Engineering Research and Design, Volume 129
      Author(s): L. Hohl, M. Kraume
      The phase behavior of microemulsion systems consisting of oil, water and non-ionic surfactants can lead to emulsions with unique properties: by adjusting temperature and composition a system with three liquid phases is obtained. These systems can be used as solvent systems for reactions such as the hydroformylation of long-chained olefins. Knowledge of the occurring dispersion and coalescence processes is crucial for process optimization and control. Using an endoscope measurement technique in a stirred tank, relevant criteria that determine the formation of complex droplets by the two dispersed phases such as multiple emulsions are defined. The influence of the third phase on dispersion and coalescence is discussed by analyzing the drop sizes of the dispersed phases in agitated systems in situ. Furthermore, the impact of the third liquid phase on the slope of sedimentation and coalescence curves is analyzed in subsequent phase separation experiments.

      PubDate: 2017-12-27T09:53:25Z
      DOI: 10.1016/j.cherd.2017.10.027
      Issue No: Vol. 129 (2017)
       
  • Experimental and CFD studies on the effects of surface texture on liquid
           
    • Authors: Dan Yu; Dapeng Cao; Zhanzhan Li; Qunsheng Li
      Pages: 170 - 181
      Abstract: Publication date: January 2018
      Source:Chemical Engineering Research and Design, Volume 129
      Author(s): Dan Yu, Dapeng Cao, Zhanzhan Li, Qunsheng Li
      A novel wave-like polyline-arc (WPA) structured packing is proposed to improve hydrodynamic performance and mass transfer. The experimental results show that the WPA packing yields a lower pressure drop, a higher capacity and a higher mass transfer efficiency compared with the traditional Mellapak 125.X packing. A multi-scale CFD (Computational Fluid Dynamics) model is used to analyse the hydrodynamic performance, and a user-defined function (UDF) is added to the Fluent solver to evaluate the mass transfer efficiency. In the hydrodynamic simulation, we use unsteady 2D and 3D VOF models to explore the effects of surface texture on the liquid thickness and effective wetted area. The CFD results show that a rough surface has a positive effect on both the average film thickness and the wetted area, and the effect on the average film thickness is greater. The mass transfer results indicate that a rough surface enhances the local gas–liquid contact efficiency by disturbing the fluid flow and prolongs the liquid–gas contact time. The simulation results show that the surface texture has a smaller effect on the wet pressure drop than on the mass transfer efficiency and are in agreement with the experimental data.
      Graphical abstract image

      PubDate: 2017-12-27T09:53:25Z
      DOI: 10.1016/j.cherd.2017.10.035
      Issue No: Vol. 129 (2017)
       
  • Electrospun fumarate ferroxane/polyacrylonitrile nanocomposite nanofibers
           adsorbent for lead removal from aqueous solution: Characterization and
           process optimization by response surface methodology
    • Authors: Golshan Moradi; Farzad Dabirian; Parviz Mohammadi; Laleh Rajabi; Mina Babaei; Nahid Shiri
      Pages: 182 - 196
      Abstract: Publication date: January 2018
      Source:Chemical Engineering Research and Design, Volume 129
      Author(s): Golshan Moradi, Farzad Dabirian, Parviz Mohammadi, Laleh Rajabi, Mina Babaei, Nahid Shiri
      The electrospun fumarate ferroxane/polyacrylonitrile (Fum-F/PAN) nanocomposite nanofibers were prepared by immersing the pristine electrospun (PAN) nanofibers into the solution of Fum-F nanoparticles. The synthesized Fum-F nanoparticles were characterized using FESEM and FTIR. FESEM micrographs revealed the smooth surface of the pristine PAN nanofibers and the decoration of Fum-F nanoparticles on the surface of electrospun Fum-F/PAN nanocomposite nanofibers. The electrospun Fum-F/PAN nanocomposite nanofibers were evaluated in order to remove lead from aqueous solution. A central composite design (CCD) and response surface methodology (RSM) were applied to analyze and model the obtained adsorption data. The applied variables consisted of lead ion concentration, adsorbent dosage, pH solution and contact time which maximum lead removal percentage of 97.89% was achieved at initial concentration of 30.30ppm, adsorbent dosage of 2.06g/L, solution pH of 6.18 and contact time of 68.23min. The lead adsorption data onto the electrospun Fum-F/PAN nanocomposite nanofibers were adjusted well with Langmuir isotherm model, indicating the interaction between lead molecules could be assumed negligible. The maximum adsorption capacity of lead ions was 357.14mg/g which was much higher compared to the reported values of other functionalized PAN nanofibers adsorbents. Reusability study of adsorbent confirmed the durability of removal even after five cycles of adsorption-desorption.
      Graphical abstract image

      PubDate: 2017-12-27T09:53:25Z
      DOI: 10.1016/j.cherd.2017.09.022
      Issue No: Vol. 129 (2017)
       
  • Conceptual design for the extractive distillation of cyclopentane and
           neohexane using a mixture of N,N-dimethyl formamide and ionic liquid as
           the solvent
    • Authors: Lehuan Wu; Luo Wu; Yansheng Liu; Xuqiang Guo; Yufeng Hu; Rui Cao; Xinyun Pu; Xue Wang
      Pages: 197 - 208
      Abstract: Publication date: January 2018
      Source:Chemical Engineering Research and Design, Volume 129
      Author(s): Lehuan Wu, Luo Wu, Yansheng Liu, Xuqiang Guo, Yufeng Hu, Rui Cao, Xinyun Pu, Xue Wang
      A conceptual design of extractive distillation for the separation of cyclopentane and neohexane mixtures using a mixture of N,N-dimethyl formamide (DMF) and ionic liquid (IL) as entrainer is developed. [PCNMIM][ClO4] was found to be the most promising solvent through the COSMO-RS calculations. Quantum chemistry calculations were then carried out to further understand the separation ability of the solvent. The vapor–liquid equilibrium (VLE) experimental results showed that the relative volatility of neohexane to cyclopentane is enhanced using the N,N-dimethyl formamide (DMF)+[PCNMIM][ClO4] mixed solvents when compared to the benchmark solvent DMF. The interaction parameters of non-random two-liquid (NRTL) model were correlated using the measured experimental VLE data. For comparison, two extractive distillation processes, using mixed solvents and pure DMF, were simulated in Aspen Plus. The results showed that the mixed solvents exhibit a better separation performance than DMF. The process using mixed solvents can reduce the total annual cost by 21.49% compared with that using DMF.
      Graphical abstract image

      PubDate: 2017-12-27T09:53:25Z
      DOI: 10.1016/j.cherd.2017.10.011
      Issue No: Vol. 129 (2017)
       
  • Studies on lignin extraction from rice husk by a soda-ethanol treatment:
           Kinetics, separation, and characterization of products
    • Authors: Eliana P. Dagnino; Fernando E. Felissia; Ester Chamorro; María C. Area
      Pages: 209 - 216
      Abstract: Publication date: January 2018
      Source:Chemical Engineering Research and Design, Volume 129
      Author(s): Eliana P. Dagnino, Fernando E. Felissia, Ester Chamorro, María C. Area
      The delignification kinetics of lignocellulosic waste is an important tool for the study of the technical-economic viability of biorefinery processes. The aim of this work was to study the kinetic of lignin extraction by a soda-ethanol treatment of hemicelluloses-free rice husk, within the framework of a biorefinery. Additionally, the type of phenolic structures in the extracted lignin and the behavior of inorganics were evaluated. The kinetic study was carried out at 140, 150, and 160°C, at different times between 3 and 100min of reaction for each temperature. A first order kinetic model was adjusted to the experimental data of residual lignin in the treated solid in the fast and slow phase. The kinetic constant k0 varied from 0.021 to 0.035min−1 for 140–160°C. The activation energies were 38.59kJ/mol and 33.47kJ/mol for the fast and slow phase, respectively. The inorganics components remained in the solid and the proportion of silicon increased through all treatments. About 50% of the initial lignin with 1% of inorganics was recovered by precipitation. The percentage of total OH in lignin remained high, about 8.5%, and decreased with the temperature but not with the time of the reaction.
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      PubDate: 2017-12-27T09:53:25Z
      DOI: 10.1016/j.cherd.2017.10.026
      Issue No: Vol. 129 (2017)
       
  • Contaminant uptake by polymeric passive samplers: A modeling study with
           experimental validation
    • Authors: Shaghayegh Jooshani; Milad Asgarpour Khansary; Azam Marjani; Saeed Shirazian; Jin Shang
      Pages: 231 - 236
      Abstract: Publication date: January 2018
      Source:Chemical Engineering Research and Design, Volume 129
      Author(s): Shaghayegh Jooshani, Milad Asgarpour Khansary, Azam Marjani, Saeed Shirazian, Jin Shang
      Accurate determination of contaminant partitioning in polymeric passive samplers (PPSs) is of great interest, especially for planning monitoring programs in environmental investigations. In this study, a predictive partition coefficient model is developed which only requires the chemical structures of polymer in PPSs and contaminant as input. As such, a kinetic model is developed to account for time evolution of the contaminant uptake. To analyze the performance of the developed model, experimental data were collected from literature to validate against the model. The accumulative absolute relative deviation (AARD (%)) was used in order to evaluate the goodness of predictions. Comparing the measured and calculated partition coefficients indicated an overall prediction error of 5.17%. The developed model can provide valuable information regarding polymers selection for PPSs fabrication and the time evolution of uptake process.
      Graphical abstract image

      PubDate: 2017-12-27T09:53:25Z
      DOI: 10.1016/j.cherd.2017.11.019
      Issue No: Vol. 129 (2017)
       
  • Monte Carlo simulation of the light distribution in an annular slurry
           bubble column photocatalytic reactor
    • Authors: John Akach; Aoyi Ochieng
      Pages: 248 - 258
      Abstract: Publication date: January 2018
      Source:Chemical Engineering Research and Design, Volume 129
      Author(s): John Akach, Aoyi Ochieng
      Slurry bubble column photocatalytic reactors have been used for photocatalytic wastewater treatment. In order to design and optimize these reactors, the light distribution needs to be determined. In this work, the light distribution in a slurry bubble column photocatalytic reactor was simulated using the Monte Carlo model. The model was validated using total transmitted radiation (TTR) measurements. The validated model was then used to determine the local volumetric rate of energy absorption (LVREA) and volumetric rate of energy (VREA) profiles. Very good agreement was achieved between experimental and simulated TTR values at different catalyst loadings using a Henyey-Greenstein scattering parameter of 0.84. The Monte Carlo model was more accurate than the six-flux model. From an analysis of the LVREA profiles, the light distribution along the radial coordinate was found to be highly non-uniform. Using the VREA, the optimum catalyst loading was estimated to be 0.4g/L. Bubbles were observed to slightly decrease the TTR while slightly increasing the light absorption especially at low catalyst loadings; therefore, bubble simulation could be neglected without significant loss of accuracy. This work highlights the accuracy and utility of Monte Carlo simulation for determining the light distribution in an annular slurry bubble column photocatalytic reactor.
      Graphical abstract image

      PubDate: 2017-12-27T09:53:25Z
      DOI: 10.1016/j.cherd.2017.11.021
      Issue No: Vol. 129 (2017)
       
  • Economic evaluation of NGL recovery process schemes for lean feed
           compositions
    • Authors: Chunhe Jin; Youngsub Lim
      Pages: 297 - 305
      Abstract: Publication date: January 2018
      Source:Chemical Engineering Research and Design, Volume 129
      Author(s): Chunhe Jin, Youngsub Lim
      The economic analysis of lean feed conditions for natural gas liquids (NGL) recovery is required to meet recent increases in the demand for lean gas reservoirs. This paper compares the economic performance of various NGL recovery schemes with consideration of the LNG HHV specification under various lean feed compositions. The ISS and IPSI schemes are typical processes in NGL recovery, especially in the normal and rich fields, whereas HHC separator and scrub column schemes have advantages for lean feeds. All the schemes were built by HYSYS simulation software and optimized using a genetic algorithm. The profitability analysis indicates that the gross profit and payout time give a similar trend compared to the previous studies. However, the results give different outcomes when considering total annualized cost (TAC), especially in terms of lean feed condition. The results show that scrub column scheme shows the best economic performance compared to other schemes under lean feed compositions.

      PubDate: 2017-12-27T09:53:25Z
      DOI: 10.1016/j.cherd.2017.11.027
      Issue No: Vol. 129 (2017)
       
  • Effect of various key factors on the law of droplet evaporation on the
           heated horizontal wall
    • Authors: S.Y. Misyura
      Pages: 306 - 313
      Abstract: Publication date: January 2018
      Source:Chemical Engineering Research and Design, Volume 129
      Author(s): S.Y. Misyura
      Water evaporation in a wide range of initial droplet diameters and at different wall temperatures on structured surface was studied experimentally. With an increase in the wall temperature from 31 to 72°С and an increase in the initial droplet diameter, exponent n in the evaporation law increases from 1 to 1.37. Under the transitional regime, exponent n =1.6 reaches its maximum. Usually, while simulating droplet evaporation, a linear relationship of the evaporation rate of water vapor and droplet radius R is considered (dm/dt ∼ Rn , n = 1). In this paper, it is shown that exponent n increases with a growth of the wall temperature. In generalization of droplet evaporation rate, the exponent for the Rayleigh number (Ra) is 0.457 due to the predominant role of gas convection. For large water drops (for air–vapor mixture over the droplet surface) high Reynolds numbers are achieved (Ra =2×105). A diffusion vapor layer on the droplet surface and boundary layer of air on the surface of the heated cylinder, whose diameter exceeds the droplet diameter, are formed. A neglect of free convection understates simulation results in comparison with experimental data more than by the factor of 10. The sequence of key factors, taking into account their influence on the rate of droplet evaporation, is as follows: 1) convection in a vapor–gas medium; 2) effect of wall roughness, wettability, and convection in a liquid; 3) thermal inertia of the metal wall. The calculation methodology for a sessile drop enables a qualitative analysis for a high-temperature gas-droplet flow.
      Graphical abstract image

      PubDate: 2017-12-27T09:53:25Z
      DOI: 10.1016/j.cherd.2017.11.033
      Issue No: Vol. 129 (2017)
       
  • Design of carbon dioxide dehydration process using derivative-free
           superstructure optimization
    • Authors: Jinjoo An; Jonggeol Na; Ung Lee; Chonghun Han
      Pages: 344 - 355
      Abstract: Publication date: January 2018
      Source:Chemical Engineering Research and Design, Volume 129
      Author(s): Jinjoo An, Jonggeol Na, Ung Lee, Chonghun Han
      A comprehensive optimal design for the CO2 dehydration process created by decomposition-based superstructure optimization is proposed. To reach the most economical process configuration, the superstructure model has been developed including binary interaction parameter regression of the NRTL-RK thermodynamic model, unit operation modeling, and identification of the connectivity of each of the unit operations in the superstructure. The superstructure imbeds 30,720 possible process alternatives and unit operation options. To simplify the optimization problem, the process simulation was explicitly carried out in a sequential process simulator, and the constrained optimization problem was solved externally using a genetic algorithm and an Aspen Plus-MATLAB interface. The optimal process includes a five-stage contactor, a nine-stage still column (with the feed stream entering at the seventh stage), a lean/rich solvent heat exchanger, and a cold rich solvent split flow fed to the first stage of still column. The total annualized cost of the optimum process is 6.70M$/year, which corresponds to the specific annualized cost of 1.88$/t CO2. As part of the process optimization, a Monte Carlo simulation was performed to analyze the sensitivity of utility cost volatility; the refrigerant and steam present the most influential utility costs.
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      PubDate: 2017-12-27T09:53:25Z
      DOI: 10.1016/j.cherd.2017.11.028
      Issue No: Vol. 129 (2017)
       
  • Hydrodynamic modeling of ionic liquids and conventional amine solvents in
           bubble column
    • Authors: Muhammad Furqan Ali; Jieqing Gan; Xiaochun Chen; Guangren Yu; Yuan Zhang; Mujtaba Ellahi; Ahmed A. Abdeltawab
      Pages: 356 - 375
      Abstract: Publication date: January 2018
      Source:Chemical Engineering Research and Design, Volume 129
      Author(s): Muhammad Furqan Ali, Jieqing Gan, Xiaochun Chen, Guangren Yu, Yuan Zhang, Mujtaba Ellahi, Ahmed A. Abdeltawab
      The green solvent ionic liquids (ILs) are getting attention in variety of industries, because of their unique properties. Few studies explain the hydrodynamics of ILs, but the comparison with conventional amine solvents in CO2 capture process has not so far been reported. The primary target of this research is to develop a state of the art computational fluid dynamics (CFD) model that would be useful to understate hydrodynamic parameters of both ILs and conventional amine solvents in a glance. In present study, three ILs are investigated inside a 3D flat bubble column and their higher viscosities are examined vigilantly by comparison with three amine solvents. The flow pattern, liquid velocity magnitude, CO2 holdup and bubble size distribution are explained. It is reported that current CFD model may be used for higher viscous ILs and amine solvents. Compared with amine solvents, CO2 plume meandering behavior was not observed and very low gas holdup was obtain in ILs. The velocity magnitude of ILs increased with the height in bubble column, but a decreasing trend with column height was followed in the case of amine solvents. CO2 exhibited non-coalescence behavior in ILs, but coalescence and breakup phenomena were seen in amine solvents. Finally, baffled type industrial tray column is also investigated and some useful hydrodynamic aspects in the comparison of pure ionic liquid, 90%-solution of ionic liquid and 30%-solution of MEA are drawn. The experimentally validated CFD model would be useful for switching to ILs from corrosive amine solvents and further investigation of new economical ILs.
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      PubDate: 2017-12-27T09:53:25Z
      DOI: 10.1016/j.cherd.2017.11.034
      Issue No: Vol. 129 (2017)
       
  • The “No Sampling Parameter Estimation (NSPE)” algorithm for stochastic
           differential equations
    • Authors: Kirti M. Yenkie; Urmila Diwekar
      Pages: 376 - 383
      Abstract: Publication date: January 2018
      Source:Chemical Engineering Research and Design, Volume 129
      Author(s): Kirti M. Yenkie, Urmila Diwekar
      The parameter estimation problem in stochastic differential equations (SDEs) has gained much attention in recent years due to their increased applications in the field of pharmaceuticals, ecosystem modeling, and medical data like EKG, blood pressure, and sugar levels. The predictive power of SDEs lie in the choice of parameter values that describe the real data effectively. The classical SDE parameter estimation methods are largely based on likelihood estimation, which is computationally expensive. In this work, we propose a relatively simplified approach based on deterministic nonlinear optimization method which does not require sampling. The results from the suggested No Sampling Parameter Estimation (NSPE) algorithm for selected examples are compared with the data, results from deterministic ODE (ordinary differential equation) model and traditional methods of maximum likelihood estimation (MLE) and generalized method of moments (GMM) for SDEs. The NSPE algorithm is more accurate and reduces computation time significantly when compared to the traditional methods.

      PubDate: 2017-12-27T09:53:25Z
      DOI: 10.1016/j.cherd.2017.11.018
      Issue No: Vol. 129 (2017)
       
  • Photocatalytic degradation, toxicological assessment and degradation
           pathway of C.I. Reactive Blue 19 dye
    • Authors: Muhammad Bilal; Tahir Rasheed; Hafiz M.N. Iqbal; Chuanlong Li; Hang Wang; Hongbo Hu; Wei Wang; Xuehong Zhang
      Pages: 384 - 390
      Abstract: Publication date: January 2018
      Source:Chemical Engineering Research and Design, Volume 129
      Author(s): Muhammad Bilal, Tahir Rasheed, Hafiz M.N. Iqbal, Chuanlong Li, Hang Wang, Hongbo Hu, Wei Wang, Xuehong Zhang
      Efficient degradation of dye-based environmental pollutants and industrially contaminated wastewater remains a formidable challenge. The photo-assisted catalytic degradation of anthraquinone Reactive Blue 19 (RB-19) dye was investigated by varying the operational parameters such as reaction time, catalyst (titanium dioxide, TiO2) loading, initial dye concentration, and hydrogen peroxide (H2O2) concentration. Pronounced dye degradation reaction was achieved at 1.0g/L of TiO2 after 180min of degradation period with 0.3×10−3 mol/L of H2O2. UPLC/MS analysis scrutinized the intermediates and based on the electrospray ionization mass spectrometry (ESI-MS) analysis. A mechanistic degradation pathway has also been proposed. The complete degradation of RB-19 was confirmed by total organic carbon (TOC) and chemical oxygen demand (COD) analysis. Toxicity profile of untreated and photo catalytically-degraded dye was evaluated using three types of human cell lines, i.e., MCF 7, L 929 and HeLa cells. It was observed that transformed byproducts of RB-19 were less toxic than the original dye molecule. In conclusion, the UV/TiO2 mediated process can promisingly degrade RB-19 dye under optimized conditions. It is evident from the data obtained that the newly developed UV/TiO2-assisted mechanism could practically be used for the degradation of industrial dyes and/or dyes based waste effluents.
      Graphical abstract image

      PubDate: 2017-12-27T09:53:25Z
      DOI: 10.1016/j.cherd.2017.11.040
      Issue No: Vol. 129 (2017)
       
  • Dynamic controllability comparison of reactive distillation columns with
           single and double reactive sections for two-stage consecutive reactions
    • Authors: Ilayda N. Oksal; Devrim B. Kaymak
      Pages: 391 - 402
      Abstract: Publication date: January 2018
      Source:Chemical Engineering Research and Design, Volume 129
      Author(s): Ilayda N. Oksal, Devrim B. Kaymak
      The purpose of this study is to compare the dynamic controllability of different reactive distillation column configurations including two stage consecutive reversible reactions. Comparison is done between two configurations; the conventional column with single reactive section (RDC-SRS) and the novel column with double reactive sections (RDC-DRS) using two illustrative examples; one ideal generic system and one real system which is the transesterification of dimethyl carbonate with ethanol to form diethyl carbonate. The dynamic results demonstrate that the control performance of RDC-SRS and RDC-DRS are quite similar for both case studies. Thus, the novel RDC-DRS is an acceptable alternative to the conventional RDC-SDR for the separation of two-stage consecutive reversible reactions in terms of both steady-state and control performances.

      PubDate: 2017-12-27T09:53:25Z
      DOI: 10.1016/j.cherd.2017.11.025
      Issue No: Vol. 129 (2017)
       
  • Distributed fault detection in large-scale systems using hybrid extended
           information filter
    • Authors: Amin Azarshab; Mehdi Shahbazian
      Abstract: Publication date: Available online 26 December 2017
      Source:Chemical Engineering Research and Design
      Author(s): Amin Azarshab, Mehdi Shahbazian
      A fault monitoring system plays an important role to ensure and improve the reliability of an industrial plant to operate safely and efficiently. For large-scale systems, their high-dimensional nature impels the designer to develop a lower-order algorithm to overcome the practical limitations. To reduce the order of computations and the amount of communication, the system should be decomposed into low-dimensional sub-systems. For this purpose, a distributed fault detection algorithm was presented based on hybrid extended information filter. This algorithm has the advantages of two existing approaches, the hybrid extended Kalman filter and the information filter. In the proposed method, several local fault detectors were employed to monitor the local sub-system instead of a single centralized monitoring node. For each detector, a limited number of measurements were accessible based on the generated local state and residual vectors using a local filter. The local detector extracted the faults’ information content of the residual signals via CUSUM statistical hypothesis testing. Moreover, it could communicate the processed information of its neighbors if needed. The algorithm was implemented on alkylation of benzene process plant. The results obtained from the distributed algorithm showed a considerable decrease in computational burden and communication bandwidth.

      PubDate: 2017-12-27T09:53:25Z
      DOI: 10.1016/j.cherd.2017.12.034
       
  • A Multi-objective Optimization for the Design and Operation of a Hydrogen
           Network for Transportation Fuel
    • Authors: Gerald S. Ogumerem; Changkyu Kim; Iordanis Kesisoglou; Nikolaos A. Diangelakis; Efstratios N. Pistikopoulos
      Abstract: Publication date: Available online 26 December 2017
      Source:Chemical Engineering Research and Design
      Author(s): Gerald S. Ogumerem, Changkyu Kim, Iordanis Kesisoglou, Nikolaos A. Diangelakis, Efstratios N. Pistikopoulos
      In this work we present a multi-objective, multi-period, mixed integer, linear optimization formulation to analyze a hydrogen supply chain network. The objectives of the optimization problem are:(i) the maximization of the Net Present Value (NPV) and (ii)the minimization of the Greenhouse Gas (GHG) emissions, while determining: (i) the locations of the hydrogen facilities, (ii) the production technology, (iii) the size of each facility (iv) transportation unit and (v) the distribution route. The model was deployed for the state of Texas and two scenarios were investigated: (i) oxygen co-produced with hydrogen from electrolysis is discarded and (ii) oxygen co-produced form the electrolysis is further processed and sold to generate revenue. A Pareto curve of twenty efficient points is developed and the extreme points on the curve are used to test the aforementioned scenarios. We found that further processing of produced oxygen for sell instead of discarding it made electrolysis an economically viable technology option for the production of hydrogen.

      PubDate: 2017-12-27T09:53:25Z
      DOI: 10.1016/j.cherd.2017.12.032
       
  • Coarse grain model for DEM simulation of dense and dynamic particle flow
           with liquid bridge forces
    • Authors: Ei L. Chana; Kimiaki Washinoa
      Abstract: Publication date: Available online 26 December 2017
      Source:Chemical Engineering Research and Design
      Author(s): Ei L. Chana, Kimiaki Washinoa
      In many powder handling processes, liquid is added and dispersed into bulk dry powder. To study these systems, simulations of wet particles with small amounts of liquid are often performed by incorporating liquid bridge forces consisting of capillary and viscous forces into Discrete Element Method (DEM) (Sakai and Koshizuka, 2009). One of the existing challenges in DEM is the high computational cost to perform industrial scale simulations with large number of particles. One of the strategies often employed to reduce computational cost is by scaling up particle size, also known as the coarse grain method, which have been applied in several studies for dry cohesionless or dry cohesive particles. In the present work, the “direct force scaling” coarse grain model (Sakai and Koshizuka, 2009; Sakai et al., 2012) is applied for a dense and dynamic system of wet particles with liquid bridge forces. A general scaling criteria is proposed for different types of DEM related forces based on force balances on a control volume: l3 scaling for body forces and l2 scaling for interaction forces, where l is the scaling factor of the coarse grain particle. The coarse grain model is validated for wet particles in a vertical mixer in terms of the bulk flow and mixing behaviour. It is shown that the coarse grain model with l2 scaling of the liquid bridge forces can accurately predict the flow and mixing behaviour of the original wet particles.

      PubDate: 2017-12-27T09:53:25Z
      DOI: 10.1016/j.cherd.2017.12.033
       
  • Entrainer based economical design and plantwide control study for
           Tetrahydrofuran/Water separation process
    • Authors: Asma Iqbal; Syed Akhlaq Ahmad; Ojasvi
      Abstract: Publication date: Available online 22 December 2017
      Source:Chemical Engineering Research and Design
      Author(s): Asma Iqbal, Syed Akhlaq Ahmad, Ojasvi
      In this work, the control structure design for a continuous extractive distillation scheme using entrainers for separating THF-water azeotropic mixture into high purity product (THF) has been studied. The selection of suitable entrainer for the undertaken process was purely based on economical design criteria where Total annulaised cost, TAC, for different entrainers were first calculated and further compared. Once the suitable entrainer was selected based on the design economics, later the plantwide control structure was evaluated for disturbance rejection capabilities and smooth process operations in the face of feed throughput and composition change. For economical design operations, the recycle rate of entrainers has to be kept around a minimum recycle rate. However, operating below minimum entrainer recycle rate leads the product purity to fall sharply in conventional control structure designs due to THF-Water azeotropic constraints. The presented control structure design in this works ensures that product purity is not lost even in case of sever disturbances in feed throughput (by ±10%) or a changed feed composition (by ±5%).
      Graphical abstract image

      PubDate: 2017-12-27T09:53:25Z
      DOI: 10.1016/j.cherd.2017.12.031
       
  • Techno-economic assessment of natural gas displacement potential of
           biomethane: A Case study on domestic energy supply in The UK
    • Authors: Tekena Fubara; Franjo Cecelja; Aidong Yang
      Abstract: Publication date: Available online 21 December 2017
      Source:Chemical Engineering Research and Design
      Author(s): Tekena Fubara, Franjo Cecelja, Aidong Yang
      Mathematical modelling and optimisation at both household and energy supply network levels were developed to study the transformation of the natural gas-based domestic energy supply system with the introduction of biomethane generation, processing and utilisation based on a range of feedstock and conversion technologies. Biomethane processing includes, among other options considered, the conceptual development of a novel approach for upgrading biogas which utilises existing onshore natural gas processing capacity. Four different objective functions were considered for optimisation, representing different economic and environmental propositions, to identify the best path for introducing biomethane with multiple types of feedstock. Applying these objective functions to UK’s domestic energy supply, and assuming a range of subsidies available, it was established that a technically significant displacement of natural gas could be achieved, with displacement capabilities of 48% to 72%, and greenhouse gas (GHG) reductions between 64% and 80%. Economically, these ranges of achievement would correspond to various levels of capital investment and economic viability, depending on the objective functions. Those cases leading to a positive net present value (NPV) appeared to heavily rely on subsidies and could run into a significant loss if subsidies were removed in the operational phase. In contrast, optimisation not assuming any subsidies in the first place could lead to a fundamentally economically viable system, but at the cost of a significantly lower level of biomethane penetration compared to the cases assuming subsidies. Overall, the results have indicated the importance of carefully selecting optimisation objectives, and revealed the potential consequences of adopting financial subsidies in developing the biomethane infrastructure.

      PubDate: 2017-12-27T09:53:25Z
      DOI: 10.1016/j.cherd.2017.12.022
       
  • The Analysis of Liquid-Liquid Equilibria (LLE) of Toluene + Heptane +
           Ionic Liquid Ternary Mixture Using Intelligent Models
    • Authors: Fariborz Shaahmadi; Mohammad Amin Anbaz; Bahamin Bazooyar
      Abstract: Publication date: Available online 21 December 2017
      Source:Chemical Engineering Research and Design
      Author(s): Fariborz Shaahmadi, Mohammad Amin Anbaz, Bahamin Bazooyar
      This paper is to verify the applicability of three intelligence methods including artificial neural network (ANN), support vector machine (SVM) and least square support vector machine (LSSVM) in forecasting the thermodynamic phase behavior of LLE for toluene/heptane/ionic liquid ternary systems. The shuffled complex evolution (SCE), particle swarm optimization (PSO) and genetic algorithm (GA) are employed to acquire the optimal magnitudes of hyper parameters (σ 2 and γ) which are embedded parts of SVM and LSSVM models, and the trial and error was employed to obtain the optimal numbers of neuron and layers for ANN intelligent model. Gathering and using 589 liquid-liquid equilibria (LLE) data, the comparison between the capability of applied intelligent models and NRTL thermodynamic model has also been made in giving the phase behavior of ternary system toluene/heptane/ionic liquid. The findings are indicative of a prefect agreement between the estimation from intelligent models and the experimental data. Comparison between these three investigated models reveals that the performance of SCE-LSSVM in prediction of LLE is somewhat better than other intelligent models (i.e., ANN and SVM) in prognosticating LLE behavior in those 40 studied ILs as the coefficient determination (R2) and root mean squared error (RMSE) are respectively 0.9895 and 0.0361 for test sets of data. This is likely due to the existence of structural risk minimization principle of LSSVM which is embodied in SVM algorithm and effectively minimizes upper bound of the generalization error, rather than minimizing the training error.
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      PubDate: 2017-12-27T09:53:25Z
      DOI: 10.1016/j.cherd.2017.12.029
       
  • Thermodynamic modeling of hydrate formation conditions using different
           activity coefficient models in the presence of tetrahydrofuran (THF)
    • Authors: Arghavan Beheshtimaal; Ali Haghtalab
      Abstract: Publication date: Available online 14 November 2017
      Source:Chemical Engineering Research and Design
      Author(s): Arghavan Beheshtimaal, Ali Haghtalab
      The clathrate hydrate is a major problem in gas transportation lines and on the other hand, can be used as a tool for natural gas storage. Moreover, it could be used for gas separation such as monoxide and dioxide carbon from combustion chambers. In this work, a thermodynamic model is developed to calculate gas hydrate formation conditions of single and binary gases in the absence and presence of the thermodynamic promoter such as tetrahydrofuran (THF). A three-phase solid-liquid-gas equilibrium calculation is carried out so that the van der Waals-Platteeuw model is applied for the hydrate phase, SRK EoS for the gas phase and the different activity coefficient models such as local composition and group contributions models for the aqueous solution. The binary interaction parameters for the present activity coefficient models are adjusted through the optimization of the hydrate formation data for the single gases in the presence and absence of THF. Using the local composition and group contribution models, allows one to compare the calculated results with experiment through the percent of Absolute Average Deviation (AAD %)-in pressures and temperatures of the gas hydrate formation conditions so that it is observed the present results are in a good agreement with the experiment.

      PubDate: 2017-11-16T18:33:02Z
       
  • Emulsion ionic liquid membrane for recovery process of lead. Comparative
           study of experimental and response surface design
    • Authors: Meryem Mesli; Nasr-Eddine Belkhouche
      Abstract: Publication date: Available online 14 November 2017
      Source:Chemical Engineering Research and Design
      Author(s): Meryem Mesli, Nasr-Eddine Belkhouche
      The technique of emulsion ionic liquid membrane (EILM) was used as chemical process for Pb(II) recovery, from nitrate medium, using Aliquat 336 as ionic liquid carrier. The Tween20 as a dispersive non-ionic surfactant was used for the emulsion formation. The optimization of the extraction and pre-concentration of Pb(II) was determined by optimizing one parameter at the time. So, several experimental parameters as: carrier concentration, surfactant concentration, time and stirring speed of feed phase, initial concentration and pH of feed phase, were studied. The results showed that the lead ions were extracted at 82.61% by Aliquat336 and recovered at 82.16%, in aqueous solution of the nitric acid, from a feed phase of lead(II) nitrate of 207.2ppm at pH equal to 5.5, in presence of 1%w/w Aliquat336 and 0.5%w/w of Tween20 under 30minutes of stirring at 210rpm. The tests of separation experiments of Pb(II) and Cu(II) were carried on the basis of the optimal conditions of lead (II) recovery. Thus, the separation factor of lead over copper was equal to 1.30, obtained from their equimolar synthetic mixture. Indeed, the recovery of Cu(II) can be advantageous towards of Pb(II) if the molar composition of Cu/Pb in mixture was of 0.65. Response surface methodology (RSM) using Box-Benheken Design (BBD) was used for the statistical study. So, the reduced cubic of the quadratic model showed that the predicted values were in good agreement with those found experimentally and the parameter of ionic liquid concentration has an important individual effect on the response. Therefore, the recovery of Pb(II) can be predicted at 82.14% with the best desirability of the chosen model under our experimental conditions.
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      PubDate: 2017-11-16T18:33:02Z
       
  • Synthesis of high growth rate SWCNTs and their magnetite cobalt sulfide
           nanohybrid as super-adsorbent for mercury removal
    • Authors: Hassan Alijani; Zahra Shariatinia
      Abstract: Publication date: Available online 13 November 2017
      Source:Chemical Engineering Research and Design
      Author(s): Hassan Alijani, Zahra Shariatinia
      Water assisted synthesis of high quality and high yield single walled carbon nanotubes (SWCNTs) was performed over Co–Mo/MgO catalyst by chemical vapor deposition (CVD) method. The effect of varying the water amount on the yield and quality of SWCNTs was studied. The as-synthesized SWCMTs were employed for mercury adsorption from aqueous solution. Also, in order to improve the adsorption process, the two magnetite SWCNTs (MSWCNTs) and magnetite SWCNTs–CoS (MSWCNTs–CoS) nanohybrids were prepared. The XRD, TGA, FE-SEM, TEM, Raman, VSM and EDX analysis were carried out to study the effects of water vapor on quality, growth rate and yield of SWCNTs as well as to verify the nanohybrids structures. It was found that with increasing the water/methane up to 8% volume ratio, the quality and yield of nanotubes were reached to their maximum levels. However, more increasing the water vapor up to 20% caused dramatic decreases in the yield and quality. Mercury adsorption properties of SWCNTs, MSWCNTs and MSWCNTs-CoS were studied with the aid of response surface methodology (RSM). Kinetic, isotherm and thermodynamic studies revealed that MSWCNTs–CoS had a very high efficiency for mercury adsorption with a very much low equilibrium time (7min) indicating its super-adsorbent property.
      Graphical abstract image

      PubDate: 2017-11-16T18:33:02Z
       
  • Experimental investigation on an aerated mixing vessel through electrical
           resistance tomography (ERT) and response surface methodology (RSM)
    • Authors: Divya Malik; Leila Pakzad
      Abstract: Publication date: Available online 11 November 2017
      Source:Chemical Engineering Research and Design
      Author(s): Divya Malik, Leila Pakzad
      Aerated mixing vessel is highly applied in such industrial processes as oxidation, hydrogenation, and biological fermentation where gas and liquid are contacted and mixed to reach steady condition. However, the design of an aerated mixing vessel is challenging specially in case of non-Newtonian fluids. To enhance the efficiency of the process, it is essential to assess the effect of the gas sparged to the vessel on the mixing performance. In the present work, an electrical resistance tomography (ERT) system was utilized to assess the mixing of the activated sludge as shear thinning non-Newtonian fluid in presence of aeration. ERT results revealed that shorter mixing time can be achieved in presence of aeration. The following three central impellers were employed: ASI (a combination of A200 and the Scaba impellers), ARI (a combination of A200 and the Rushton impellers), and Rushton (fully radial impeller). An ERT system with a two-plane assembly equipped with 16 sensors on each plane was employed to assess the impact of the impeller type, impeller speed, and gas flow rate on the mixing of activated sludge in terms of mixing time, specific power consumption, and gas flow number. A statistical-based experimental design with RSM (response surface methodology) was applied to evaluate the individual and interactive effects of the design parameters and operating conditions. Experiments and RSM demonstrated that among all independent variables in this study, impeller speed was the common independent variable which impacts mixing time, specific power consumption, and gas flow number significantly.

      PubDate: 2017-11-16T18:33:02Z
       
  • CO2 capture by amine-based aqueous solution containing atorvastatin
           functionalized mesocellular silica foam in a counter-current rotating
           packed bed: Central composite design modeling
    • Authors: Behnam Jafari; Mahmood Reza Rahimi Mehrorang Ghaedi Kheibar Dashtian Soleiman
      Abstract: Publication date: Available online 11 November 2017
      Source:Chemical Engineering Research and Design
      Author(s): Behnam Jafari, Mahmood Reza Rahimi, Mehrorang Ghaedi, Kheibar Dashtian, Soleiman Mosleh
      Novel mesocellular silica foam functionalized with atorvastatin (MCF-AT) was synthesized and applied to overcome the mass transfer limitation in carbon dioxide absorption by rotating packed bed (RPB). The MCF-AT with high order pore distribution and regular rod morphology material was dispersed in monoethanolamine (MEA) by ultrasonic dispersion method without any surfactant addition. Structural and chemical properties of MCF-AT were characterized by low angle XRD, FE-SEM, FTIR, BET and BJH analysis. The effect of operational parameters such as the gas and solution flow rate, MCF-AT dosage and rotational speed have been investigated and optimized by central composite design (CCD) combined with desirability function (DF) method. The maximum achieved carbon dioxide absorption percentage was 99.46% at condition which set at 15Lmin−1 gas flow rate, 0.2Lmin−1 solution flow rate, 0.15g MCF-AT and 800rpm rotational speed. Results indicated that using MEA solution in absence of MCF-AT has ability to 76.96% CO2 capture percentage which significantly improved following addition of MCF-AT to MEA solution due to the availability of appropriate pores and reactive functional groups which have more tendency for trapping and/or binding CO2.
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      PubDate: 2017-11-16T18:33:02Z
       
  • Adsorption and visible-light photocatalytic degradation of tetracycline
           hydrochloride from aqueous solutions using 3D hierarchical mesoporous
           BiOI: Synthesis and characterization, process optimization, adsorption and
           degradation modeling
    • Authors: Aliakbar Dehghan; Mohammad Hadi Dehghani Ramin Nabizadeh Navid Ramezanian Mahmood
      Abstract: Publication date: Available online 11 November 2017
      Source:Chemical Engineering Research and Design
      Author(s): Aliakbar Dehghan, Mohammad Hadi Dehghani, Ramin Nabizadeh, Navid Ramezanian, Mahmood Alimohammadi, Ali Asghar Najafpoor
      Presence of antibiotics in aquatic environment has raised public concerns due to potential adverse effects. In this study, we synthesized two different bismuth oxyiodide (BiOI) by hydrolysis (BiOI-H) and solvothermal (BiOI-ST) methods and characterized using FTIR, XRD, FESEM, N2 adsorption-desorption isotherm, DRS and PLS. The results of characterization tests showed that the BiOI-ST sample is a better adsorbent and may be more active in photocatalytic reactions as the result of more surface area, higher light absorption ability lower band-gap energy and PL intensity, than BiOI-H. Tetracycline hydrochloride (TCH) antibiotic was selected to evaluate adsorption and photocatalytic efficiency of BiOI-ST using Response Surface Methodology. The optimum conditions of contact time, TCH initial concentration, BiOI dosage and pH for adsorption and photocatalytic processes were obtained 37.5min, 2.1mg/L, 1.5g/L, 8.5 and 101.5min, 2mg/L, 0.68g/L, respectively. Based on kinetic and isotherm studies, experimental data fitted to pseudo-second order kinetics model and followed the Freundlich and D-R isotherm models. The apparent pseudo-first order rate constant of BiOI-ST was higher than that of BiOI-H. Therefore, BiOI-ST can be used as a promising option to treat low level concentration of TCH in hospital wastewaters.
      Graphical abstract image

      PubDate: 2017-11-16T18:33:02Z
       
  • An investigation on the evolution of granule formation by in-process
           sampling of a high shear granulator
    • Authors: Faiz Mahdi; Ali Hassanpour; Frans Muller
      Abstract: Publication date: Available online 11 November 2017
      Source:Chemical Engineering Research and Design
      Author(s): Faiz Mahdi, Ali Hassanpour, Frans Muller
      Understanding the growth mechanisms in granulation process is an important topic, providing valuable insights and supports control strategies. Typically, observations in high shear granulators are made after stopping the process. In this work, an in-process sampling technique is described and applied to a high shear wet granulation process. Different samples can be collected over the cause of the high shear granulation process. This allowed observation of the evolution of granules during addition of water at a constant flowrate. For a typical pharmaceutical formulation, we observed that granules nucleate in the first 2minutes after water addition starts and then grows in size and strength to an average size of 200–1200μm at 12.5minutes, corresponding to a sharp increase in torque. Longer water addition times lead to oversized granules and eventually a paste and highly fluctuating torque. Sampling was continued after stopping water addition which showed with time larger formed granules smoothen, whilst the smaller weaker ones disintegrate. The work shows the in-process sampling can facilitate the identification of the required binder quantity in high shear granulation.
      Graphical abstract image

      PubDate: 2017-11-16T18:33:02Z
      DOI: 10.1016/j.cherd.2017.10.038
       
  • An MILP model for optimal design of multi-period natural gas transmission
           network
    • Authors: Bohong Wang; Meng Yuan Haoran Zhang WenJie Zhao Yongtu Liang
      Abstract: Publication date: Available online 11 November 2017
      Source:Chemical Engineering Research and Design
      Author(s): Bohong Wang, Meng Yuan, Haoran Zhang, WenJie Zhao, Yongtu Liang
      This paper develops an MILP model for designing multi-period natural gas transmission network to determine the connections of pipeline and the sites of compressor stations with consideration of terrains and obstacles. Equations of mass balance of network nodes, pressure drop of pipelines and pressure increase of compressors are all taken into account. A piece-wise linearization method is applied to the model. Four cases of natural gas transmission networks in Shanxi province (China) are studied. The result illustrates that the model can tackle complicated natural gas transmission network optimization problems. The developed model is of practical value for natural gas sales enterprises to minimize the construction cost and is a good designing reference for construction contractors.

      PubDate: 2017-11-16T18:33:02Z
       
  • Production and performance of activated carbon from rice husks for removal
           of natural organic matter from water: A review
    • Authors: Menya P.W.; Olupot Storz Lubwama Kiros
      Abstract: Publication date: Available online 11 November 2017
      Source:Chemical Engineering Research and Design
      Author(s): E. Menya, P.W. Olupot, H. Storz, M. Lubwama, Y. Kiros
      Adsorption by activated carbon has great potential to improve natural organic matter (NOM) removal from water. However, the high production and regeneration costs limit its wide scale application. To address these limitations, research efforts have been focused on finding low cost materials that can be transformed into activated carbon. Rice husk is one of such materials of research focus, especially in the developing countries, where over 96% of rice husks are generated globally. Although numerous investigations have been made concerning the production of activated carbon from rice husks, the existing scientific information still remains widely scattered in literature. Furthermore, the scientific information regarding performance of rice husk activated carbon during NOM removal from water still remains poorly documented. This review article therefore provides ample information on efforts made by various researchers concerning production of activated carbon from rice husks and its adsorption performance in relation to NOM removal from water. Properties and pretreatment of rice husks in relation to production of activated carbon are discussed. Activation of rice husks by physical and chemical methods under numerous conditions is reviewed. Factors affecting NOM adsorption by activated carbon are briefly discussed. Adsorption performance of rice husk activated carbon is also reviewed with respect to NOM removal from water, and where possible compared with other source derived activated carbons. The data from literature revealed that NOM removal by rice husk activated carbon can be as effective as commercial activated carbon. Consequently, rice husk activated carbon has potential to serve as an alternative to commercial activated carbon.
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      PubDate: 2017-11-16T18:33:02Z
       
  • Graphene composites as dye adsorbents: Review
    • Authors: George Kyzas; Eleni Deliyanni Dimitrios Bikiaris Athanasios Mitropoulos
      Abstract: Publication date: Available online 11 November 2017
      Source:Chemical Engineering Research and Design
      Author(s): George Z. Kyzas, Eleni A. Deliyanni, Dimitrios N. Bikiaris, Athanasios C. Mitropoulos
      One of the most important decontamination techniques is considered to be adsorption. It is fast, simple, low-cost with many opportunities to modify the initial materials after appropriate synthesis routes etc. Numerous adsorbent materials are prepared the last years having as ultimate scope to remove some toxic pollutants especially from contaminated waters (effluents originated from industries). But the composition of each type of effluents is varying. Dyes are some major components of industrial wastewaters. In the last years, graphene attracted many researchers employing with adsorption technique, because of its excellent properties and two-dimensional structure. Researchers started to synthesize more effective graphene adsorbents making some additions to initial structure, preparing many graphene composites. This review summarizes the important contribution of graphene composites to adsorption technique. Many preparation routes of graphene composites are given along with the respective characterization techniques, properties of the materials, and of course detailed adsorption evaluation of graphene composites. The latter is based on some adsorption parameters as maximum adsorption capacity, kinetic behavior, thermodynamics, and possible reuse ability. The data clearly demonstrate that the adsorption capacity of graphene composites is very high (up to 1300mg/g depending on the dye molecule). The majority of works has been successfully fitted to Langmuir isotherm model and pseudo-second order kinetic equation. To highlight the superiority of graphene composites, comparison with other adsorbents is mandatory. This work summarizes the very recently published works of the last years.
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      PubDate: 2017-11-16T18:33:02Z
       
  • Adsorption Modeling of CO2 in Fluidized Bed Reactor
    • Authors: Saeed Yaghoobi-Khankhajeh; Reza Alizadeh Reza Zarghami
      Abstract: Publication date: Available online 11 November 2017
      Source:Chemical Engineering Research and Design
      Author(s): Saeed Yaghoobi-Khankhajeh, Reza Alizadeh, Reza Zarghami
      A model was proposed for studying the adsorption of CO2 in fluidized bed reactor based on combination of two-phase fluidization with tanks-in-series model. Logical combinations of ideal reactors can be of critical importance in gaining insights into the nature of FBRs and might better be further utilized in process simulation software. Implementation of the tanks-in-series model, in addition, is more consistent with hydrodynamics of the bed compared to one-phase and two-phase models. Considering this model, the fluidized bed was divided into 4 equal-volume stages, in which gas flows as completely mixed flow in emulsion phase and in bubble phase as plug flow. Using experimental data, the number of sections was found as a function of Hata number, superficial gas velocity and minimum fluidization velocity. The experimental results in a laboratory scale fluidized bed reactor with two particle sizes (335 and 605μm) at different superficial gas velocities (0.47, 0.62, 0.79, 0.94 and 1.25m/s) and aspect ratios were used for model validation. Obtained breakthrough curves from modeling were compared against experimental data to verify the validity of the model and acceptable agreement was observed. By fitting the results of the proposed model with experimental data, the reaction constant and Langmuir equilibrium constant were determined to be 0.04 1/s and 0.019m3/mol, respectively. Increasing the superficial gas velocity and better mixing of adsorbent result in greater adsorption capacity. Moreover, it was observed that smaller particles have higher adsorption capacity due to higher specific surface area and mass transfer coefficient than larger particles. It has also been found that the optimum superficial gas velocity was in the range of 0.62 and 0.79m/s for both particles sizes.

      PubDate: 2017-11-16T18:33:02Z
       
  • Pressure-swing-adsorption of gaseous mixture in isotropic porous medium:
           Numerical sensitivity analysis in CFD
    • Authors: R. Gautier; T. Dbouk; M.A. Campesi; L. Hamon; J.-L. Harion; P. Pré
      Abstract: Publication date: Available online 11 November 2017
      Source:Chemical Engineering Research and Design
      Author(s): R. Gautier, T. Dbouk, J.-L. Harion, L. Hamon, P. Pré
      In the present manuscript, a numerical sensitivity analysis is conducted on different physical parameters in order to assess the robustness of a 3D CFD simulation of adsorption process cycles. It is demonstrated that the effective thermal conductivity of the porous medium, the mass transfer coefficient, the column dead volumes, the equilibrium isotherm model choice, are all crucial parameters to model accurately adsorption kinematics and heat transfer through a packed porous bed using 3D CFD approach. Moreover, it is found that the initial condition imposed on the adsorbed phase at the start of a steady PSA cycle, is a crucial point to predict accurately the mass transfer and the displacement of the adsorption front in 3D CFD computations.

      PubDate: 2017-11-16T18:33:02Z
      DOI: 10.1016/j.cej.2017.05.145
       
  • CFD Simulation of Sieve-Fixed Valve Tray Hydrodynamics
    • Authors: Hongkang Zhao; Lun Junsu Jin Qunsheng
      Abstract: Publication date: Available online 10 November 2017
      Source:Chemical Engineering Research and Design
      Author(s): Hongkang Zhao, Lun Li, Junsu Jin, Qunsheng Li
      In this work, the sieve-fixed valve (SFV) tray was designed by adding flow-guiding and sieve holes on the valve caps of the original trapezoid valve (OTV). A computational fluid dynamics (CFD) model of three-dimensional two-phase flow was developed to describe the flow structure of SFV tray. Based on the experimental clear liquid height, the modified correlation of Bennett was adopted for liquid-gas interaction and the gas-liquid momentum transfer term MGL was also obtained. To demonstrate the function of flow-guiding hole and sieve hole, the hydrodynamics of the OTV and SFV trays including pressure drop, weeping, entrainment and clear liquid height were experimented and compared. What’s more, local information such as velocity profile and flow field around the valves were simulated. CFD results showed that the new valve tray with flow-guiding holes was capable of promoting liquid flow and homogenizing liquid flow. This study proved that CFD research can test modification of devices, and provide information which could not be obtained by experiment. The CFD method tends to be a necessary part for designing and modifying new distillation internals.
      Graphical abstract image

      PubDate: 2017-11-16T18:33:02Z
       
  • Facile and rapid separation of oil from emulsions by hydrophobic and
           lipophilic Fe3O4/sawdust composites
    • Authors: Xin Wenbo; Zhang Zishuai Jiang Ming Zhang YaZhou Wang Feng
      Abstract: Publication date: Available online 8 November 2017
      Source:Chemical Engineering Research and Design
      Author(s): Xin Di, Wenbo Zhang, Zishuai Jiang, Ming Zhang, YaZhou Wang, Feng Liu, Shih-Hsin Ho, Chengyu Wang
      A novel method is demonstrated for effective separation of surfactant-free oil-in-water emulsions via hydrophobic and lipophilic Fe3O4/sawdust composites (HFSCs) under magnetic stirring. The HFSCs were able to capture micron-sized oil droplets from the emulsion under electromagnetic stirring due to its adsorption, underwater lipophilicity and exceptional magnetic property. Surfactant-free oil-in-water emulsions, such as diesel, toluene and soybean, were separated less than 1.5min. After being measured by a total organic carbon analyzer, the initial content of toluene was reduced by 97.6% in separated emulsion, demonstrating that the toluene was almost entirely removed from the emulsion. Furthermore, for water-in-oil emulsions, the oil is selectively allowed to pass through HFSCs-based composite membranes with initial flux of ∼1134Lm−2 h−1 and oil purity of the filtrate more than 99.9%. Moreover, the HFSCs can be reused for emulsion separation at least 10 times with little reduction of water contact angles (WCAs) and initial fluxes. The purity of the toluene filtrate was no less than 97% in the last separation. Therefore, the cost-effective and easily-operated preparation, reusable and eco-friendly material and convenient and efficient emulsions separation methodology offer great technological promise in the field of wastewater treatment, cleanup of oil spills, and fuel purification.
      Graphical abstract image

      PubDate: 2017-11-09T18:13:02Z
       
  • Breakup and coalescence regularity of non-dilute oil drops in a vane-type
           swirling flow field
    • Authors: Shuo Liu; Dong Zhang Le-le Yang Jing-yu
      Abstract: Publication date: Available online 6 November 2017
      Source:Chemical Engineering Research and Design
      Author(s): Shuo Liu, Dong Zhang, Le-le Yang, Jing-yu Xu
      In this work, in order to investigate the behavior of non-dilute drops, including breakup, coalescence and trajectory, in a 100-mm inner-diameter horizontal swirling flow field with low inlet mixture velocity, both an experimental study and numerical simulation were conducted. Inlet oil phase concentration was under 3.0% volume fraction, with an inlet flow rate ranging from 12m3/h to 18m3/h. Malvern RTsizer and Electrical Resistance Tomography were applied for measuring the drop size distribution and oil phase concentration, respectively. Correspondingly, numerical simulations applying a Renormalization-group k-ε turbulent model, coupled with a Discrete Phase Model simulating oil phase, were conducted as well. The results showed that small drops in the flow field tended to coalescence, while the behavior of large drops was determined by the inlet flow rate. A higher inlet flow rate led to a thinner oil core with constant inlet oil concentration. Moreover, the simulation results, which corresponded well with the experimental observations, presented oil drops distribution laws of breakup, coalescence and trajectory in a 100-mm inner diameter swirling flow field and established a prediction model in a similar flow field. Finally, regularity of swirling intense distribution and drop-turbulence interaction in a swirling flow field with a low inlet velocity was established. These results provide new information helpful for the design of vane-type separator.
      Graphical abstract image

      PubDate: 2017-11-09T18:13:02Z
       
 
 
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