for Journals by Title or ISSN
for Articles by Keywords
help
  Subjects -> CHEMISTRY (Total: 922 journals)
    - ANALYTICAL CHEMISTRY (56 journals)
    - CHEMISTRY (656 journals)
    - CRYSTALLOGRAPHY (21 journals)
    - ELECTROCHEMISTRY (27 journals)
    - INORGANIC CHEMISTRY (43 journals)
    - ORGANIC CHEMISTRY (48 journals)
    - PHYSICAL CHEMISTRY (71 journals)

CHEMISTRY (656 journals)                  1 2 3 4 | Last

Showing 1 - 200 of 735 Journals sorted alphabetically
2D Materials     Hybrid Journal   (Followers: 14)
Accreditation and Quality Assurance: Journal for Quality, Comparability and Reliability in Chemical Measurement     Hybrid Journal   (Followers: 31)
ACS Catalysis     Hybrid Journal   (Followers: 53)
ACS Chemical Neuroscience     Hybrid Journal   (Followers: 22)
ACS Combinatorial Science     Hybrid Journal   (Followers: 21)
ACS Macro Letters     Hybrid Journal   (Followers: 29)
ACS Medicinal Chemistry Letters     Hybrid Journal   (Followers: 45)
ACS Nano     Hybrid Journal   (Followers: 353)
ACS Photonics     Hybrid Journal   (Followers: 15)
ACS Symposium Series     Full-text available via subscription   (Followers: 1)
ACS Synthetic Biology     Hybrid Journal   (Followers: 24)
Acta Chemica Iasi     Open Access   (Followers: 6)
Acta Chimica Slovaca     Open Access   (Followers: 2)
Acta Chimica Slovenica     Open Access   (Followers: 1)
Acta Chromatographica     Full-text available via subscription   (Followers: 8)
Acta Facultatis Medicae Naissensis     Open Access  
Acta Metallurgica Sinica (English Letters)     Hybrid Journal   (Followers: 7)
Acta Scientifica Naturalis     Open Access   (Followers: 2)
adhäsion KLEBEN & DICHTEN     Hybrid Journal   (Followers: 8)
Adhesion Adhesives & Sealants     Hybrid Journal   (Followers: 9)
Adsorption Science & Technology     Open Access   (Followers: 7)
Advanced Functional Materials     Hybrid Journal   (Followers: 62)
Advanced Science Focus     Free   (Followers: 5)
Advances in Chemical Engineering and Science     Open Access   (Followers: 85)
Advances in Chemistry     Open Access   (Followers: 28)
Advances in Colloid and Interface Science     Full-text available via subscription   (Followers: 20)
Advances in Drug Research     Full-text available via subscription   (Followers: 26)
Advances in Environmental Chemistry     Open Access   (Followers: 8)
Advances in Enzyme Research     Open Access   (Followers: 11)
Advances in Fluorine Science     Full-text available via subscription   (Followers: 9)
Advances in Fuel Cells     Full-text available via subscription   (Followers: 17)
Advances in Heterocyclic Chemistry     Full-text available via subscription   (Followers: 11)
Advances in Materials Physics and Chemistry     Open Access   (Followers: 28)
Advances in Nanoparticles     Open Access   (Followers: 17)
Advances in Organometallic Chemistry     Full-text available via subscription   (Followers: 18)
Advances in Polymer Science     Hybrid Journal   (Followers: 46)
Advances in Protein Chemistry     Full-text available via subscription   (Followers: 19)
Advances in Protein Chemistry and Structural Biology     Full-text available via subscription   (Followers: 20)
Advances in Quantum Chemistry     Full-text available via subscription   (Followers: 6)
Advances in Science and Technology     Full-text available via subscription   (Followers: 13)
African Journal of Bacteriology Research     Open Access  
African Journal of Chemical Education     Open Access   (Followers: 5)
African Journal of Pure and Applied Chemistry     Open Access   (Followers: 8)
Agrokémia és Talajtan     Full-text available via subscription   (Followers: 2)
Al-Kimia : Jurnal Penelitian Sains Kimia     Open Access  
Alchemy : Journal of Chemistry     Open Access   (Followers: 3)
Alkaloids: Chemical and Biological Perspectives     Full-text available via subscription   (Followers: 2)
Alotrop     Open Access  
AMB Express     Open Access   (Followers: 1)
Ambix     Hybrid Journal   (Followers: 3)
American Journal of Biochemistry and Biotechnology     Open Access   (Followers: 72)
American Journal of Biochemistry and Molecular Biology     Open Access   (Followers: 22)
American Journal of Chemistry     Open Access   (Followers: 34)
American Journal of Plant Physiology     Open Access   (Followers: 13)
American Mineralogist     Hybrid Journal   (Followers: 15)
Anadolu University Journal of Science and Technology A : Applied Sciences and Engineering     Open Access  
Analyst     Full-text available via subscription   (Followers: 37)
Angewandte Chemie     Hybrid Journal   (Followers: 191)
Angewandte Chemie International Edition     Hybrid Journal   (Followers: 279)
Annales Universitatis Mariae Curie-Sklodowska, sectio AA – 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: 15)
Antiviral Chemistry and Chemotherapy     Open Access   (Followers: 2)
Applied Organometallic Chemistry     Hybrid Journal   (Followers: 9)
Applied Spectroscopy     Full-text available via subscription   (Followers: 26)
Applied Surface Science     Hybrid Journal   (Followers: 33)
Arabian Journal of Chemistry     Open Access   (Followers: 6)
ARKIVOC     Open Access   (Followers: 1)
Asian Journal of Biochemistry     Open Access   (Followers: 3)
Asian Journal of Chemistry and Pharmaceutical Sciences     Open Access   (Followers: 2)
Atomization and Sprays     Full-text available via subscription   (Followers: 5)
Australian Journal of Chemistry     Hybrid Journal   (Followers: 7)
Autophagy     Hybrid Journal   (Followers: 4)
Avances en Quimica     Open Access  
Biochemical Pharmacology     Hybrid Journal   (Followers: 11)
Biochemistry     Hybrid Journal   (Followers: 393)
Biochemistry Insights     Open Access   (Followers: 7)
Biochemistry Research International     Open Access   (Followers: 7)
BioChip Journal     Hybrid Journal  
Bioinorganic Chemistry and Applications     Open Access   (Followers: 11)
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: 2)
Biomacromolecules     Hybrid Journal   (Followers: 25)
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: 6)
Bioorganic & Medicinal Chemistry     Hybrid Journal   (Followers: 153)
Bioorganic & Medicinal Chemistry Letters     Hybrid Journal   (Followers: 92)
Bioorganic Chemistry     Hybrid Journal   (Followers: 10)
Biopolymers     Hybrid Journal   (Followers: 17)
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 Institute of Chemistry and Chemical Technology, Mongolian Academy of Sciences     Open Access  
Bulletin of the Chemical Society of Ethiopia     Open Access   (Followers: 1)
Bulletin of the Chemical Society of Japan     Full-text available via subscription   (Followers: 25)
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: 2)
Canadian Journal of Chemistry     Hybrid Journal   (Followers: 12)
Canadian Mineralogist     Full-text available via subscription   (Followers: 7)
Carbohydrate Research     Hybrid Journal   (Followers: 24)
Carbon     Hybrid Journal   (Followers: 71)
Catalysis for Sustainable Energy     Open Access   (Followers: 10)
Catalysis Reviews: Science and Engineering     Hybrid Journal   (Followers: 10)
Catalysis Science and Technology     Hybrid Journal   (Followers: 10)
Catalysis Surveys from Asia     Hybrid Journal   (Followers: 3)
Catalysts     Open Access   (Followers: 14)
Cellulose     Hybrid Journal   (Followers: 14)
Cereal Chemistry     Full-text available via subscription   (Followers: 5)
ChemBioEng Reviews     Full-text available via subscription   (Followers: 2)
ChemCatChem     Hybrid Journal   (Followers: 8)
Chemical and Engineering News     Free   (Followers: 23)
Chemical Bulletin of Kazakh National University     Open Access  
Chemical Communications     Full-text available via subscription   (Followers: 74)
Chemical Engineering Research and Design     Hybrid Journal   (Followers: 27)
Chemical Physics Letters : X     Open Access   (Followers: 2)
Chemical Research in Chinese Universities     Hybrid Journal   (Followers: 3)
Chemical Research in Toxicology     Hybrid Journal   (Followers: 22)
Chemical Reviews     Hybrid Journal   (Followers: 230)
Chemical Science     Open Access   (Followers: 31)
Chemical Technology     Open Access   (Followers: 46)
Chemical Vapor Deposition     Hybrid Journal   (Followers: 5)
Chemie in Unserer Zeit     Hybrid Journal   (Followers: 56)
Chemie-Ingenieur-Technik (Cit)     Hybrid Journal   (Followers: 21)
ChemInform     Hybrid Journal   (Followers: 8)
Chemistry     Open Access  
Chemistry & Biodiversity     Hybrid Journal   (Followers: 7)
Chemistry & Biology     Full-text available via subscription   (Followers: 32)
Chemistry & Industry     Full-text available via subscription   (Followers: 8)
Chemistry - A European Journal     Hybrid Journal   (Followers: 190)
Chemistry - An Asian Journal     Hybrid Journal   (Followers: 16)
Chemistry and Materials Research     Open Access   (Followers: 21)
Chemistry Central Journal     Open Access   (Followers: 4)
Chemistry Education Research and Practice     Free   (Followers: 5)
Chemistry in Education     Open Access   (Followers: 9)
Chemistry International     Open Access   (Followers: 3)
Chemistry Letters     Full-text available via subscription   (Followers: 45)
Chemistry of Heterocyclic Compounds     Hybrid Journal   (Followers: 4)
Chemistry of Materials     Hybrid Journal   (Followers: 282)
Chemistry of Natural Compounds     Hybrid Journal   (Followers: 10)
Chemistry World     Full-text available via subscription   (Followers: 21)
Chemistry-Didactics-Ecology-Metrology     Open Access   (Followers: 1)
ChemistryOpen     Open Access   (Followers: 1)
Chemkon - Chemie Konkret, Forum Fuer Unterricht Und Didaktik     Hybrid Journal  
Chemoecology     Hybrid Journal   (Followers: 3)
Chemometrics and Intelligent Laboratory Systems     Hybrid Journal   (Followers: 15)
Chemosensors     Open Access  
ChemPhysChem     Hybrid Journal   (Followers: 12)
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: 11)
Chromatographia     Hybrid Journal   (Followers: 22)
Chromatography     Open Access   (Followers: 3)
Chromatography Research International     Open Access   (Followers: 5)
Clay Minerals     Hybrid Journal   (Followers: 10)
Cogent Chemistry     Open Access   (Followers: 2)
Colloid and Interface Science Communications     Open Access  
Colloid and Polymer Science     Hybrid Journal   (Followers: 11)
Colloids and Interfaces     Open Access  
Colloids and Surfaces B: Biointerfaces     Hybrid Journal   (Followers: 7)
Combinatorial Chemistry & High Throughput Screening     Hybrid Journal   (Followers: 4)
Combustion Science and Technology     Hybrid Journal   (Followers: 24)
Comments on Inorganic Chemistry: A Journal of Critical Discussion of the Current Literature     Hybrid Journal   (Followers: 2)
Communications Chemistry     Open Access   (Followers: 2)
Composite Interfaces     Hybrid Journal   (Followers: 8)
Comprehensive Chemical Kinetics     Full-text available via subscription   (Followers: 1)
Comptes Rendus Chimie     Full-text available via subscription  
Comptes Rendus Physique     Full-text available via subscription   (Followers: 2)
Computational and Theoretical Chemistry     Hybrid Journal   (Followers: 9)
Computational Biology and Chemistry     Hybrid Journal   (Followers: 13)
Computational Chemistry     Open Access   (Followers: 3)
Computers & Chemical Engineering     Hybrid Journal   (Followers: 10)
Coordination Chemistry Reviews     Full-text available via subscription   (Followers: 4)
Copernican Letters     Open Access   (Followers: 1)
Corrosion Series     Full-text available via subscription   (Followers: 7)
Critical Reviews in Biochemistry and Molecular Biology     Hybrid Journal   (Followers: 8)
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 Chromatography     Hybrid Journal  
Current Green Chemistry     Hybrid Journal   (Followers: 2)
Current Metabolomics     Hybrid Journal   (Followers: 6)
Current Microwave Chemistry     Hybrid Journal  
Current Opinion in Colloid & Interface Science     Hybrid Journal   (Followers: 9)
Current Opinion in Molecular Therapeutics     Full-text available via subscription   (Followers: 13)
Current Research in Chemistry     Open Access   (Followers: 9)
Current Science     Open Access   (Followers: 92)

        1 2 3 4 | Last

Similar Journals
Journal Cover
Chemical Engineering Research and Design
Journal Prestige (SJR): 0.847
Citation Impact (citeScore): 3
Number of Followers: 27  
 
  Hybrid Journal Hybrid journal (It can contain Open Access articles)
ISSN (Print) 0263-8762 - ISSN (Online) 0263-8762
Published by Elsevier Homepage  [3184 journals]
  • Investigation of the attapulgite hybrid carbon molecular sieving membranes
           for permanent gas separation
    • Abstract: Publication date: Available online 13 September 2019Source: Chemical Engineering Research and DesignAuthor(s): Fei Wang, Bing Zhang, Shanshan Liu, Yonghong Wu, Tonghua Wang, Jieshan Qiu Carbon molecular sieving (CMS) membranes with enhanced separation performance were prepared from polyimide incorporated with attapulgite (ATP). The membranes were characterized by thermogravimetry, Fourier transform infrared spectroscopy, scanning electron microscope and X-ray diffraction. The effect of ATP content on the structure and property of CMS membranes was investigated. The results show that the ATP addition can improve the thermal stability of precursor membranes, and the average pore size, graphitization degree and gas separation performance of as-obtained CMS membranes. ATP addition not only strengthens the thermal stability of precursor but also exhibits a good compatibility with the microstructure of CMS membranes. The incorporation of ATP significantly improves the gas permeability of CMS membranes by 2-3 times.
       
  • Drill cuttings transport and deposition in complex annular geometries of
           deviated oil and gas wells: A multiphase flow analysis of positional
           variability
    • Abstract: Publication date: Available online 13 September 2019Source: Chemical Engineering Research and DesignAuthor(s): Emmanuel I. Epelle, Dimitrios I. Gerogiorgis In this study, the two-fluid Eulerian-Eulerian multiphase flow model in ANSYS Fluent (v17.1) is adopted for the simulation of cuttings transport in a deviated annular geometry using two different non-Newtonian drilling fluids (described using the power law and Herschel- Bulkley models). The Syamlal-O'Brien interphase momentum exchange coefficient is implemented to capture non-spherical effects of the drill cuttings. The analysis conducted is based on the hypothesis that a position-dependent profile evaluation is expected to yield more insight into the transport process compared to a volume-averaged analysis over the entire flow domain. This is because the adopted simulation approach takes into account the microscopic particle properties which significantly affect the overall particle transport mechanism. However, this requires the application of robust postprocessing functionalities for data extraction from desired annular regions. Particle sizes considered are in the range of 0.002 m to 0.008 m with a sphericity range of 0.5 to 1.0. A rotational effect is incorporated in our model to describe the drillpipe motion in an annular wellbore with a vertical eccentricity of 0.6. The considered geometry contains a vertical, inclined and horizontal section with interconnecting upper and lower bends. The analysis of the particle velocity and concentration profiles revealed that the mud rheology, particle sphericity and particle sizes play vital roles in determining the cuttings removal process. It is particularly observed that the lower annular region of upper bend, is most susceptible to particle deposition with the lowest transport velocities observed. Our positional variability analysis has shown that the alternating dominance of nonspherical and spherical particles’ velocities significantly depends on the nature of the flow (i.e. dense granular flow or dilute annular flow in the upper and lower sections respectively).Graphical_ Graphical abstract for this article
       
  • Stepwise Optimization of Hydrogen Network Integrated Sulfur Compound
           Removal Kinetics and a Fluid Catalytic Cracker
    • Abstract: Publication date: Available online 13 September 2019Source: Chemical Engineering Research and DesignAuthor(s): Le Wu, Yuqi Wang, Lan Zheng, Xiaolong Han The hydrogen consumption in refineries is rapidly growing because more sour and heavy crude oils are processed to produce more transportation fuels and meet increasing market demands. A hydrogen network integration (HNI) strategy including two mathematical models (M1 and M2) is built to reduce the hydrogen consumption and total cost integrated sulfur compound removal (SCR) kinetics and a fluid catalytic cracker (FCC). M1 is an operational optimization model integrated the SCR kinetics and an FCC to reduce the hydrogen consumption by optimizing the degrees of impurity removal and operating conditions of hydrotreating units. M2 is an HNI model to optimize the hydrogen network structure based on the results from M1. The case study shows that the HNI without kinetics and FCC only reduces by 19.1% and 32.6% in total annualized cost (TAC) and hydrogen consumption. While in the hydrogen network optimization with SCR kinetics and FCC, the reductions of the hydrogen consumption and TAC have reached to 47.9% and 37.1%, which are also more than the reductions of 44.5% and 34.4% in the optimization with lumped kinetics and FCC. Therefore, it is imperative to integrate the SCR kinetics and an FCC in a hydrogen network integration.Graphical abstractGraphical abstract for this articleA stepwise hydrogen network integration (HNI) strategy is proposed to reduce the hydrogen consumptions and minimize the total annualized cost of hydrogen network with consideration of sulfur compound removal (SCR) kinetics and impurity distributions of an FCC. Two mathematical models (M1 and M2) are included in the proposed HNI strategy and used to optimize the hydrogen network of a refinery. M1 is operational optimization model to reduce the total hydrogen consumptions based on SCR kinetics and an FCC. M2 is HNI model used to obtain the optimal matches between the hydrogen sinks and hydrogen sources based on the results of M1.
       
  • Experimental study on a swirl-vane separator for gas–liquid
           separation
    • Abstract: Publication date: Available online 13 September 2019Source: Chemical Engineering Research and DesignAuthor(s): Gang Wang, Changqi Yan, Guangming Fan, Jianjun Wang, Junxiu Xu, Xiaobo Zeng, Antai Liu Experimental research on a swirl-vane gas-liquid separator has been conducted with the aim to explore its application in downhole gas-water separation systems. With the help of a high-speed camera, the effect of gas content, Reynolds number and flow conditioning elements on the separation performance were investigated. The change of flow pattern will lead to the oscillation of air core inside the separator, which has significant influence on the separation performance. Experimental results show that both the increase of Reynolds number and the arranging of flow conditioning elements can only restrain the oscillation of air core to a certain degree. In addition, according to the evolution of air core, the flow pattern can be divided into: rod air core flow, tadpole-shaped air core flow, oscillating air core flow and swirling annular flow. Compared with the gas-liquid flow pattern map in vertical tube with the same inner diameter, it can be found that the flow pattern of gas-liquid mixture before entering the separator has significant influence on the state of the air core. In the end, the operational envelope limits of the separator were determined experimentally. Due to the effect of flow pattern, the separator is more suitable to be operated at low gas content. This research leads to a better understanding of hydraulic characteristics in this kind of separator.Graphical abstractGraphical abstract for this article
       
  • Effects of the particle concentration on the electro-dehydration of
           simulated SAGD produced ultra-heavy oil
    • Abstract: Publication date: Available online 12 September 2019Source: Chemical Engineering Research and DesignAuthor(s): Bin Li, Zhiqian Sun, Zhenbo Wang, Junfeng Wang, Zhentao Wang, Xiaohui Dou, Yuxin Fan, Xiaoyu Li, Hailong Liu Steam Assisted Gravity Drainage (SAGD) produced ultra-heavy oil contains large amounts of solid particles which significantly stabilize the emulsions. These emulsions are highly undesirable in petroleum transportation and the refining process. The effects of sand particle sizes and concentrations on electro-dehydration efficiencies were experimentally assessed with simulated SAGD produced emulsions. The results showed that the electro-dehydration efficiencies, which are defined as the ratio of the loss of the water content and the initial water content in the emulsions, first increased and then decreased with increasing sand particle concentrations. In addition, the dehydration efficiency of large particle emulsions was higher than that of small particle ones. The dehydration power, which was presented in a normalized way of power per unit volume, of large sand particle emulsions was higher than that of small sand particle ones. At high concentrations, the small particle emulsions were well stabilized, which led to a steady dehydration power. High-voltage and high-frequency electric fields can efficiently break up the thick particle films covering the water droplets of the SAGD produced oil and dehydrate the oil better than the traditional alternating current / constant direct current fields. The outcome of this work is potentially useful in the design of compact and efficient oil-water electro-dehydration devices for ultra-heavy crude oil with a high sand content.Graphical Graphical abstract for this article
       
  • Machine Learning-Based Modeling and Operation for ALD of SiO2 Thin-Films
           Using Data from a Multiscale CFD Simulation
    • Abstract: Publication date: Available online 11 September 2019Source: Chemical Engineering Research and DesignAuthor(s): Yangyao Ding, Yichi Zhang, Yi Ming Ren, Gerassimos Orkoulas, Panagiotis D. Christofides Atomic layer deposition (ALD) is a widely utilized deposition technology in the semiconductor industry due to its superior ability to generate highly conformal films and to deposit materials into high aspect-ratio geometric structures. However, ALD experiments remain expensive and time-consuming, and the existing first-principles based models have not yet been able to provide solutions to key process outputs that are computationally efficient, which is necessary for on-line optimization and real-time control. In this work, a multiscale data-driven model is proposed and developed to capture the macroscopic process domain dynamics with a linear parameter varying model, and to characterize the microscopic domain film growth dynamics with a feed-forward artificial neural network (ANN) model. The multiscale data-driven model predicts the transient deposition rate from the following four key process operating parameters that can be manipulated, measured or estimated by process engineers: precursor feed flow rate, operating pressure, surface heating, and transient film coverage. Our results demonstrate that the multiscale data-driven model can efficiently characterize the transient input-output relationship for the SiO2 thermal ALD process using Bis(tertiary-butylamino)silane (BTBAS) as the Si precursor. The multiscale data-driven model successfully reduces the computational time from 0.6 - 1.2 hr for each time step, which is required for the first-principles based multiscale computational fluid dynamics (CFD) model, to less than 0.1 s, making its real-time usage feasible. The developed data-driven modeling methodology can be further generalized and used for other thermal ALD or similar deposition systems, which will greatly enhance the feasibility of industrial manufacturing processes.Graphical abstractGraphical abstract for this article
       
  • Simulation of Dispersion of Stabilized Water Droplets in a Turbulent Oil
           Flow through a Horizontal Tubing
    • Abstract: Publication date: Available online 11 September 2019Source: Chemical Engineering Research and DesignAuthor(s): Dmitry Eskin, Alexander Vikhansky Dispersion of two immiscible fluids in a horizontal turbulent pipe flow is simulated with the developer’s version of the STAR-CCM+® CFD code of Siemens PLM. Formation of a stable (no coalescence) dilute water in oil emulsion is analyzed. The Reynolds stress turbulence model in combination with the Daly & Harlow transport model are employed for modeling a three-dimensional flow. The CFD - population balance method, available within the code, is a basis for computations. A model of the droplet shear dispersion phenomenon that we incorporated into the code allows to properly account for formation of an enhanced droplet concentration area in the pipe bottom vicinity. In the computations conducted, each droplet size fraction is characterized by its own velocity, whereas majority of 3-D population balance computations known from open literature have been done by a simplified approach assuming a single average velocity. The major peculiarities of droplet dispersion in a horizontal pipe flow are illustrated by numerical examples.
       
  • Morphosynthesis of porous silica from biocompatible templates
    • Abstract: Publication date: Available online 11 September 2019Source: Chemical Engineering Research and DesignAuthor(s): Claudia Violeta Cervantes-Martinez, Mélanie Emo, Maria-José García-Celma, Marie-José Stébé, Jean-Luc Blin Taking inspiration from morphogenesis, synthetic porous silica materials have been synthesized through rational designs combining the sol-gel process and the surfactant templating method. Materials have been prepared from biocompatible systems using kolliphor as surfactant.The effect of Miglyol and Myristate solubilization in the Kolliphor/water system was first investigated in detail. The phase diagram proved that only a weak fraction of these oils (≈ 1 wt.%) can be incorporated into the hydrophobic core of the micelles (L1). Results also show that whatever the liquid crystal phases [direct hexagonal (H1) and lamellar (Lα)] the swelling effect take place upon addition of oil. Moreover, at low oil concentration oil-in-water fine emulsions are formulated, while at high oil concentration, oil-in-water concentrated emulsion, which are formulated.Starting from the various systems, porous silica materials were then synthesized. Results obtained by SAXS and nitrogen adsorption-desorption analysis show that Miglyol and Myristate can expand the mesopore size. The variations of the pore diameter have been related to the solubilization properties of the oil in the surfactant. In addition, macroporous silica could be design by using concentrated emulsions as template.This work demonstrates that synthetic silica materials can be obtained by mimic of natural processes.Graphical abstractGraphical abstract for this article
       
  • Elucidation of hydrodynamics and heat transfer characteristic of
           converging and equivalent uniform riser for dilute phase gas-solid flow
    • Abstract: Publication date: Available online 10 September 2019Source: Chemical Engineering Research and DesignAuthor(s): Rashmi Dhurandhar, Jyoti Prakash Sarkar, Bimal Das An investigation on the influence of a riser geometry on gas-solid hydrodynamics and heat transfer in dilute phase vertical pneumatic conveying system was studied using a simplified one-dimensional simulation program. Risers of equivalent uniform and converging diameters were considered for the comparative studies. The effects of riser shape on gas velocity, relative velocity, Reynolds number, pressure drop, and heat transfer coefficient is also investigated. The effect of convergence angle on total pressure drop and gas-particle heat transfer has been also studied. The significant findings of the present study shows that the converging shape of the riser enhances the gas-particle heat transfer due to higher gas-particle Reynolds number. The heat transfer coefficient and pressure drop is 0.6146 W/m2 K and 415 N/m2 for converging riser and 0.3938 W/m2 K and 364 N/m2 for uniform diameter riser. A cost estimation on the net energy benefit has been also done and found 20.67% improvement of heat recovery by solids at the expense of additional 14.02% of pumping energy by using converging riser in place of uniform diameter riser. Thus it can be revealed that the converging riser can enhance the gas-solid heat transfer and hydrodynamics parameter.Graphical Graphical abstract for this article
       
  • A new insight into pore body filling mechanism during waterflooding in a
           glass micro-model
    • Abstract: Publication date: Available online 8 September 2019Source: Chemical Engineering Research and DesignAuthor(s): Reza Rezaei Dehshibi, Ali Sadatshojaie, Ali Mohebbi, Masoud Riazi By displacing oil in porous media with other fluid, different mechanisms of fluid displacing occur. The importance of understanding the trapping mechanisms like pore body filling is irrefutable. Pore body filling mechanism with a coordination number of four has different events like I0, I1, I2 and I3. Previous studies showed that the event of I0 occurs when the pore is only filled by a compressible non-wetting phase, but this study showed that this event could also occur by an incompressible non-wetting phase. Trapping mechanisms can be examined in a glass micro-model. In this research, a glass micro-model with three different patterns was used. Results showed that at two spots of the micro-model, the mechanism of the pore body filling (PBF) for the I0 event could be occurred by an incompressible non-wetting phase. The occurrence of the I0 event was performed after the events: corner film flow of wetting phase from one of the four-junction of the pore, then swelling wetting phase at the throat and at last snapping-of non-wetting phase at pore centre. By using this new mechanism, one can achieve more accurate simulation and modelling of fluid flow through porous media. This issue is necessary for pore network modelling of oil-wet fractured reservoirs.
       
  • Equilibrium Theory Analysis of Thermal Regeneration of a Humid Adsorption
           Column: Selection of Optimal Hot Purge Gas Temperature
    • Abstract: Publication date: Available online 6 September 2019Source: Chemical Engineering Research and DesignAuthor(s): Hyungwoong Ahn A Thermal Swing Adsorption (TSA) process has been widely commercialised for its application to air drying. In designing an air-drying TSA, zeolite 13X is chosen as a desiccant when required to produce a very low dew point dry air due to its highly nonlinear, favourable isotherm. It is essential to make use of an external hot purge gas in producing such an extremely low dew point dry air, as the column has to be regenerated thoroughly for the next adsorption step. In case of the externally heated TSA, usage of a hot purge gas gives rise to huge energy consumption. Also the cycle time has to be made as short as possible to enhance the bed productivity. To optimise this energy-intensive process, it is crucial to find an optimal hot purge gas temperature at which the column can be regenerated as quickly as possible with less energy consumed. In this study, Equilibrium Theory approach was taken to analyse the thermal regeneration breakthrough of a zeolite 13X column saturated with a water vapour in which the equilibrium isotherm is estimated by Toth or Aranovich-Donohue isotherms. As a result of Equilibrium Theory analysis, it was found that the trailing front of a thermal regeneration breakthrough would exhibit a transition of the shape from simple wave to shock wave with increasing purge gas temperature. The purge gas temperature has to be chosen so that after thermal regeneration the targeted water vapour concentration remaining in the column lies within the concentration range occupied by the shock wave. A useful correlation that relates the targeted dew point of the remaining water vapour with the purge gas temperature was proposed. The presence of the optimal hot purge gas temperature estimated by Equilibrium Theory was validated by both full numerical simulation and ideal work consumption.
       
  • The Use of First Principles Model for Evaluation Of Adaptive Soft Sensor
           for Multicomponent Distillation Unit
    • Abstract: Publication date: Available online 5 September 2019Source: Chemical Engineering Research and DesignAuthor(s): Andrei Torgashov, Sigurd Skogestad Traditionally, soft sensors are developed based on measurement data only, but here we consider an adaptive soft sensor that uses data generated from a fitted, first principles model of the distillation columns. The contribution of the paper is a procedure for moving window soft sensor design that incorporates a priori knowledge, which is especially suitable when the training sample is small and contains measurement errors. In addition, we propose a continuous adaptation of all model parameters based on new data, instead of the usual procedure of only updating the bias. The accuracy of the predicted product quality is investigated by calculating the coefficient of determination and root mean squared error for the test sample. Several approaches were considered, and we found that a constrained optimization approach was superior. The constraints on the model parameters of soft sensors are derived from a fitted, rigorous distillation unit model. The improved estimator quality resulted in the successful industrial application of advanced process control systems.
       
  • Using PLIF/PIV Techniques to Investigate the Reactive Mixing in Stirred
           Tank Reactors with Rushton and Pitched Blade Turbines
    • Abstract: Publication date: Available online 5 September 2019Source: Chemical Engineering Research and DesignAuthor(s): Mahsa Taghavi, Jafarsadegh Moghaddas Planar laser induced fluorescence (PLIF) technique was used to investigate concentration profiles and reaction progress of a turbulent reactive mixing process in a baffled stirred tank reactor. Rushton turbine, up-pumping pitched blade turbine (PBTU), and down-pumping pitched blade turbine (PBTD) were used to study the effect of mixing on the fast Fenton reaction progress. For determining the reaction progress, a criterion was developed, which was based on obtaining the number of mixed pixels with a defined uniformity percentage for the entire reactor area. It was found that impeller type, impeller clearance, and reactant injection location significantly altered concentration profiles and reaction progress. The reaction time scale along with the micro- and macromixing time scales were determined and it was concluded that the system performance was controlled by macromixing in the tank. Mean velocity field of the impellers was obtained by particle image velocimetry (PIV) technique and reasonably validated the concentration distribution results of PLIF technique.Graphical abstractGraphical abstract for this article
       
  • Experimental Study on the Mass Transfer performance of a Horizontal Pulsed
           Column for Uranium Recovery from a Sulfate Leach Liquor with Alamine 336
           using Mathematical Model
    • Abstract: Publication date: Available online 28 August 2019Source: Chemical Engineering Research and DesignAuthor(s): Fereshte Khanramaki, Rezvan Torkaman, Amir Saeed Shirani, Jaber Safdari In this investigation, the concentration profiles in both phases were determined for the uranium extraction from a sulfate solution by Alamine 336 in a horizontal pulsed column. The leach liquor solution contained uranium, iron, magnesium, manganese, aluminum, calcium and other minor elements. The optimum operating parameters for uranium extraction have been carried out at the bench scale. An organic phase with 6% (v/v) Alamine 336 and 5% (v/v) isodecanol in kerosene was chosen to examine the mass transfer performance of the extraction column. The volumetric overall mass transfer of the continuous phase, backmixing parameters and axial dispersion coefficients of two phases were calculated by using plug flow, backflow and axial dispersion models. The influence of operating parameters such as pulsation intensity and phase flow rates on these parameters was studied. The values of volumetric overall mass transfer coefficient calculated by axial dispersion are greater than those models. Because the axial mixing improves the mass transfer performance of this column. The obtained results of the pilot plant experiments showed that the mass transfer performance of this column is high for the uranium extraction from sulfate leach liquors. Furthermore, the practical and novel correlations have been determined for prediction of mass transfer parameters (such as Koca, Ec, Ed, α, β), which are closely matched with the experimental results in the horizontal pulsed column.Graphical abstractGraphical abstract for this article
       
  • Energy efficient turbulence promoter flux-enhanced microfiltration for the
           harvesting of rod-shaped bacteria using tubular ceramic membrane
    • Abstract: Publication date: Available online 27 August 2019Source: Chemical Engineering Research and DesignAuthor(s): A. Jokić, I. Pajčin, J. Grahovac, N. Lukić, J. Dodić, Z. Rončević, Z. Šereš Substitution of synthetic agrochemicals with bio pesticides, due to the hazards of pollution, has put attention on the development of cost-effective solutions for their production. Membrane fouling remains an immense problem for cross-flow microfiltration implementation in bio-control agent production. The shear-induced arrangement of rod-shaped bacterial cells results in the creation of the brick-like wall layer in filtration cake that has denser packing, and a higher tortuosity, which leads to higher cake resistance. From this perspective, applying turbulent flow by increasing cross-flow velocity is a possible method for the reduction of cake resistance, controlling the filtration performance, which in turn results in higher energy consumption. Turbulence promoters can be positioned into a channel of tubular membranes to reduce cake resistance and consequently increase permeation flux. Radial mixing caused by the turbulence promoter has contributed to disturbance of the shear-induced arrangement of cells and the flux improvement was in the range between 50% to approximately 300%, depending on experimental conditions. Static mixer i.e. turbulence promoter caused higher permeate fluxes at same specific energy consumption, without loss of cell viability due to an increase in shear rate. Microfiltration parameters were optimized using response surface methodology and genetic algorithm.Graphical abstractGraphical abstract for this article
       
  • Complex system decomposition for distributed state estimation based on
           weighted graph
    • Abstract: Publication date: Available online 27 August 2019Source: Chemical Engineering Research and DesignAuthor(s): Langwen Zhang, Xunyuan Yin, Jinfeng Liu In this work, a systematic subsystem decomposition procedure for complex process systems is proposed for distributed state estimation. In the proposed procedure, both the connectivity within a system and the strength of connections are taken into account. A nonlinear process is first presented by a directed graph in which a node denotes either a state or a measured output of the nonlinear process. In the directed graph, nodes are connected via weighted edges and the weights reflect the strength of connection between two nodes. Based on the weighted directed graph, community structure detection is used to divide all the variables into smaller groups, such that the intra-connection within each group is made much stronger than the interaction among different groups. Subsystem models that are appropriate for distributed state estimation are configured based on the variables assigned to the groups. A comparative study between the proposed procedure with a procedure based on unweighted directed graph is conducted through extensive simulations. In the simulations, a numerical example and a chemical process example are considered. Three commonly used distributed state estimation algorithms designed based on the two decomposition procedures are applied to the two examples. A few guideline on when to use weighted graphs for decomposition for distributed state estimation are concluded.
       
  • α-Alumina Supported Doped Ceria Catalysts for Steam Gasification and
           Oxidation of Radical Coke
    • Abstract: Publication date: Available online 27 August 2019Source: Chemical Engineering Research and DesignAuthor(s): Shilpa Mahamulkar, Kehua Yin, Taylor Sulmonetti, Hyuk Taek Kwon, Robert J. Davis, Liwei Li, Hirokazu Shibata, Andrzej Malek, Christopher W. Jones, Pradeep K. Agrawal A series of α-alumina supported doped (Mn, Gd, Sr) ceria catalysts is investigated for the gasification (steam) and oxidation (air) of industrial coke that was generated during ethane pyrolysis. The catalytic activity is evaluated in the presence of pure steam, air and steam-air mixtures. Gd, Mn and Sr dopants reduce the coke gasification temperature in pure steam by 65 °C compared to the un-catalyzed coke gasification. Gd and Mn also decrease the coke oxidation temperature in air and help the dilute oxidation of coke in the presence of steam + air mixtures by decreasing the diluted oxidation temperature of coke by ˜125 °C. The Mn doped ceria catalyst is able to resist coke formation, during in situ coking experiments. Structural characterization of the α-alumina supported doped (Gd and Mn) ceria catalysts by extended X-ray absorption fine structure (EXAFS) and Raman spectroscopy shows the presence of Ce3+ species and oxygen vacancies, respectively, in the ceria catalysts. The catalytic activity of the Gd-doped sample appears to be related to the presence of increased oxygen vacancies, the smaller crystallite size and a higher catalyst surface area compared to catalysts with other dopants. For the Mn-doped ceria catalyst, the presence of increased oxygen vacancies is suggested to be the main reason for its improved activity. Exposure to steam at high temperatures imparts a negligible effect on the crystallite sizes of the doped ceria catalysts, as evidenced from X-ray diffraction, indicating negligible sintering and good thermal stability of these catalysts.Graphical abstractGraphical abstract for this article
       
  • Efficient extraction of lithium from β-spodumene by direct roasting
           with NaF and leaching
    • Abstract: Publication date: Available online 22 August 2019Source: Chemical Engineering Research and DesignAuthor(s): Gustavo D. Rosales, Alexander C.J. Resentera, Jorge A. Gonzalez, Rodolfo G. Wuilloud, Mario H. Rodriguez This research describes the study of a new process for the extraction of Li from β-spodumene by direct roasting with NaF and leaching. Various parameters including roasting temperature, β-spodumene/NaF molar ratio and reaction time were studied. The thermal behavior of the mixture β-spodumene/NaF was studied by simultaneous thermogravimetry and differential thermal analysis. The results indicate that the sample begins to react with NaF at around 540 °C. The optimal conditions for lithium extraction were found to be 600 °C, 1:2 β-spodumene:NaF molar ratio and 60 min of roasting. In these conditions, a lithium extraction degree of 90%, approximately, is reached. The products of the roasting reaction of the mineral with NaF are LiF, nepheline and albite, all identified by XRD. The unreacted NaF can be removed by water washing with minimal lithium loss of 0.36%. Finally, LiF was completely leached with a 10% v/v H2SO4 solution, remaining in the solid the compounds albite and nepheline.Graphical abstractGraphical abstract for this article
       
  • Severe slug mitigation in an S-shape pipeline-riser system by an
           injectable venturi
    • Abstract: Publication date: Available online 21 August 2019Source: Chemical Engineering Research and DesignAuthor(s): Joseph Inok, Liyun Lao, Yi Cao, James Whidborne Severe slugging is a cyclic flow regime that causes pressure, flow and temperature oscillations which leads to an intermittent delivery of liquid (oil and water) and gas to processing facilities during hydrocarbon extraction and transportation. These oscillations can cause separator flooding, production reduction, platform trips and plant shutdown. This paper presents a novel method for severe slug mitigation in a pipeline-riser system which use an injectable venturi coupled to the pipeline-riser system upstream of the topside test separator for severe slug mitigation. Injectable venturi is a venturi tube that has an opening at its throat and a pipe inclined at 45° is inserted into this opening. Gas is injected through the pipe counter to the flow coming from upstream of the injectable venturi to choke the working fluid passing through the throat of the injectable venturi. Flow regimes maps, stability maps and severe slug envelopes were generated and used to demonstrate the performance of the venturi in mitigating severe slugging in a pipeline-riser system. A similar experiment was conducted with the injectable venturi with no gas injection and the plain riser (without the injectable venturi coupled). The results from the experiment show that with the injectable venturi coupled to the pipeline-riser system, severe slugging was mitigated, the severity of severe slugging was reduced, the operating region of severe slugging (severe slug envelop) was reduced and stability was achieved at a larger valve opening. Practically, these results imply that oil and gas production can proceed more smoothly, thus, enhancing flow assurance. The injectable venturi with gas injection gave a better performance than with no gas injection. Thus, the effectiveness of the injectable venturi is not due to the venturi itself, but due to gas injection at the throat of the venturi.
       
  • Separation Processes for Carbon Dioxide Capture with Semi-clathrate
           Hydrate Slurry Based on Phase Equilibria of CO2 + N2 +
           tetra-n-butylammonium bromide + Water systems
    • Abstract: Publication date: Available online 17 August 2019Source: Chemical Engineering Research and DesignAuthor(s): Hiroyuki Komatsu, Kenta Maruyama, Kazuaki Yamagiwa, Hideo Tajima The objective of this work was to assess multi-stage separation processes for CO2 capture based on semi-clathrate hydrate (SCH) adsorption media. Phase equilibria were determined for CO2 + tetra-n-butyl ammonium bromide (TBAB), N2 + TBAB and CO2 + N2 + TBAB SCH and correlated with a modified van der Waals-Platteeuw model. Experimental CO2 separation factors ranged from 5 to 10, whereas calculated values were all around 18 implying inhomogeneous absorption in the slurries. For simulation conditions, hydrate mass fractions less than 0.09 were estimated to prevent aggregation of the hydrate solids. A two-stage batch separation process allowed enrichment of CO2 to more than 90 mol% from a 20 mol% CO2 feed. A three-stage continuous countercurrent separation process allowed a CO2 recovery of about 90 %. Separation performance of semi-clathrate hydrates ranked favorably among the CO2 separation methods, showing that SCH adsorption media have excellent potential for carbon capture applications.Graphical abstractGraphical abstract for this article
       
  • Design of self priming venturi scrubber for the simultaneous abatement of
           HCl gas and particulate matter from the flue gas
    • Abstract: Publication date: Available online 16 August 2019Source: Chemical Engineering Research and DesignAuthor(s): Manisha Bal, Hammad Siddiqi, Subhrajit Mukherjee, B.C. Meikap Mostly, HCl gas along with particulate matter are generated from the combustion and waste incineration process but exposure of these air pollutants beyond a certain limit is very dangerous to the human life. Therefore, experimental study of simultaneous removal of HCl gas and fly ash from the flue gas using self priming venturi scrubber is investigated. Effect of various parameters like throat gas velocity, inlet fly ash concentration, inlet HCl concentration and hydrostatic head of water on the removal of HCl gas and fly ash particle has been studied. Maximum HCl removal is obtained as 98.3% at 60 m/s of throat gas velocity, 0.77 m of water level height, 500 ppm of inlet HCl loading and 0.3 × 10−3 kg/m3 of inlet fly ash concentration. On the other hand, maximum fly ash removal of 99.91% is achieved at 60 m/s of throat gas velocity, 0.77 m of water level height and 0.3 × 10−3 kg/m3 of inlet fly ash concentration. Empirical model is also developed for the prediction of HCl removal efficiency in the presence of fly ash and validated with the experimental results. Thus the submerged venturi scrubber is a novel technique which may control the emissions from many process industries.Graphical abstractGraphical abstract for this article
       
  • Development of generalized and simplified models for supercritical fluid
           extraction: Case study of papaya (Carica papaya) seed oil
    • Abstract: Publication date: Available online 16 August 2019Source: Chemical Engineering Research and DesignAuthor(s): Devi Vibha, Khanam Shabina The present study described the experimentation and modeling of supercritical CO2 extraction (SCE) process for papaya seed oil. Experiments were performed at various ranges of SCE parameters; temperature (303.15–368.15) K, pressure (15–35) MPa, solvent flow rate (5–25) g/min, particle size (0.2–1.4) mm and co-solvent (ethanol) flow rate (0–20)% of CO2 flow rate. Obtained oil is analyzed through gas chromatography to estimate fatty acid concentrations. Effects of SCE parameters were investigated on the extraction yield and oleic acid concentration of papaya seed oil through central composite design. Further, two mathematical models (PM-1 and PM-2) were developed based on desorption-diffusion-dissolution (PM-1) and broken and intact cell mechanism (PM-2). These models were validated with the experimental data of papaya seed oil and further compared with the existing models. PM-1 proposed an equilibrium relation while assuming saturation of solvent and solute at interphase, which was successfully validated with the experimental data in the AARD range from 0.40 % to 32.48 %. PM-2 reduced the three zones of extraction curves to two and better fitted the experimental data of papaya seed in the AARD range from 0.45% to 35.62%. Model parameters of PM-2 were optimized through genetic algorithm.
       
  • Polysulfone mixed matrix hollow fiber membranes using zeolite templated
           carbon as a performance enhancement filler for gas separation
    • Abstract: Publication date: Available online 13 August 2019Source: Chemical Engineering Research and DesignAuthor(s): Rika Wijiyanti, Afifah Nur Ubaidillah, Triyanda Gunawan, Zulhairun Abdul Karim, Ahmad Fauzi Ismail, Simon Smart, Rijia Lin, Nurul Widiastuti Zeolite-templated carbon (ZTC) was used as a new nanoporous filler to prepare mixed-matrix membranes (MMMs) with polysulfone as a continuous phase. The ZTC was prepared using a synthesized zeolite-Y template and sucrose carbon source via the impregnation method. The MMMs were fabricated through a dry-jet wet spinning technique, and the ZTC loadings were varied between 0.4 to 0.7 wt%. The results showed that the integration of the ZTC did not change the microscopic structure of membranes. Additionally, the addition of filler did not affect the amorphous character of the polymer, while the polymer chain spacing slightly decreased. The thermal stability of MMMs improved with an increase in the glass transition temperature. The MMM at 0.4 wt% loading exhibited the best separation performances as shown from the Robeson curve, with CH4, CO2, N2, O2, and H2 permeances of 5.9, 58.5, 5.0, 14.0, and 169.2 GPU, respectively. In addition, the improvements in CO2/CH4, O2/N2, H2/CH4, and CO2/N2 ideal selectivities were 290%, 117%, 272%, and 219%, respectively. On the other hand, the enhancement of the permeances and reduction in selectivities observed at 0.7 wt% loading indicated that the existence of voids was a main factor in the permeation behavior of the MMMs.Graphical abstractGraphical abstract for this article
       
  • The study on the coupled process of column distillation and vapor
           permeation by NaA zeolite membrane for ethanol dehydration
    • Abstract: Publication date: Available online 13 August 2019Source: Chemical Engineering Research and DesignAuthor(s): Xuechao Gao, Shengxian Wang, Jiacheng Wang, Shufeng Xu, Xuehong Gu A pilot was used to experimentally study the ethanol dehydration process, based on the coupled process of distillation and vapor permeation by NaA zeolite membrane, and the effects of the water content in the feed, reflux ratio, mass flow, the product purity of the distill and the operating stability were systematically analyzed. It was found that due to the placement of NaA membrane, the operation zone of the original column could be significantly extended in the coupling, which in return could reduce the column facility investment. Based on the interplay among the operation parameters, it was found that the water content of the distilled product from the column could be used as a critical parameter to balance the energy consumption of the column and the membrane facility investment, and a value of 20 wt.% was recommended for the coupling. During the steady test of the coupling, the results indicated that the pilot plant could be continuously operated for 18 hours to dehydrate the feed (water/ethanol) from 60 wt.% to 8 wt.%, where the steady state was further validated in process simulation of Aspen plus. In summary, the parameters suitable for the stable operation of the distillation-vapor permeation coupling were investigated for the given condition. This research paves a foundation for the large-scale industrial design and application of the distillation-vapor permeation coupling.
       
  • Sustainable crude oil transportation: design optimization for pipelines
           considering thermal and hydraulic energy consumption
    • Abstract: Publication date: Available online 10 August 2019Source: Chemical Engineering Research and DesignAuthor(s): Bohong Wang, Haoran Zhang, Meng Yuan, Yufeng Wang, Brenno C. Menezes, Zhongjie Li, Yongtu Liang The oil and gas industry has paid increasing attention to energy consumption and is taking steps to reduce emissions owing to growing environmental concerns. In this study, a method for designing the optimization of crude oil pipelines is proposed to achieve both construction and energy consumption cost reductions. The method applied in this study is derived from a mathematical programming model with minimal annual construction depreciation cost and energy consumption cost as the objective functions. The model aims to determine the size of the pipeline, as well as the location and operational plan of each station. The hydraulic and thermal calculations, the relationship between viscosity and temperature, and the uncertainty of the flow rate are all included to ensure that the model satisfies all engineering demands. In terms of its application, the constructed model has been applied to two real cases to verify its effectiveness and potential to achieve energy conservation. Moreover, the energy consumption and CO2 emission were estimated and analyzed with varying electricity and fuel prices, as well as varying flow rate. The results demonstrate that the construction plan is not affected by the price of electricity, while fuel prices and flow rates are the main factors influencing both the construction and operational plans.
       
  • A Multi-Perspectives Analysis of Methane Oxidative Coupling Process Based
           on Miniplant-Scale Experimental Data
    • Abstract: Publication date: Available online 9 August 2019Source: Chemical Engineering Research and DesignAuthor(s): Hamid Reza Godini, Mohammadreza Azadi, Alberto Penteado, Mohammadali Khadivi, Günter Wozny, Jens-Uwe Repke A multi-perspectives analysis of the potentials, challenges and characteristics of possible future industrial-scale ethylene production via Oxidative Coupling of Methane (OCM) process was performed in this research. In doing so, miniplant-scale experimental data were utilized to scale-up, predict and represent the performance of the unit operations in the industrial-scale operation of a reference stand-alone and two different integrated OCM process configuration, each with an assumed capacity of one million tons per year ethylene production. Technical, environmental and economic performance of these alternative OCM processes were analyzed and compared using Aspen Plus simulations and Aspen Process Economic Analyzer. The assumptions and the conceptual conclusions made in the analysis are also discussed in this paper. The technologies and the costs associated with conditioning the methane feed stream originated from natural gas or biogas were compared and their impacts, through reducing the resulted price of methane-feed, on the economy of the OCM process are discussed. Moreover, the integration potentials of the OCM process with the ethane dehydrogenation process and the clear impacts of the resulted increase in the ethylene production on the whole process economy are also considered in this paper. The feasibility and the specifications of the selected integrated OCM process configuration, providing the fastest return of investments around 9.5 year, are discussed in this paper. The economic and environmental performance indicators of this integrated process along with the potentials and some suggestions for further improving its performance are also highlighted in this paper.Graphical abstractGraphical abstract for this article
       
  • Numerical investigation of a single feedback loop oscillator with two
           outlet channels
    • Abstract: Publication date: Available online 7 August 2019Source: Chemical Engineering Research and DesignAuthor(s): A. Jafarian Amiri, Mousa Farhadi In this study, a single feedback loop oscillator with two outlet channels is numerically studied. In order to solve the governing equations, the commercial software of Ansys-Fluent 16.0 is used. A set of CFD simulations is performed for a 2D and turbulent flow using hybrid DES model. The results of a simple parametric study investigating the effects of five geometrical parameters such as splitter distance, angle between outlet channels, feedback loop width and different shape of splitter and feedback loop on the flow-switching frequencies produced in single feedback loop oscillators are reported. It can be observed that the 2D simulation results, which are obtained using DES method, showed more appropriate outcomes compared to various RANS models. Moreover, by changing the oscillator’s geometric parameters, there will be an increase in switching jet frequency up to 25% which occurs in certain conditions. The change in the splitter distance from feedback loop showed the most variations after examining the geometric parameters in which the frequency is reduced from 83 to 38 Hz by decreasing the so-called parameter. Results also showed that the increase in outlet channel angle up to 18 degrees initially cause an increase in the frequency and then it is followed by a reduction. After investigating the change in the feedback loop width, it is concluded that by increasing the feedback loop width to 4 mm, the outlet frequency of the device increased primarily and followed by the considerable reduction. Also, the obtained frequency by the oscillator with horizontal elliptic loop is 25 percent higher than the circle feedback loop oscillator.Graphical abstractGraphical abstract for this articleFrequency change by changing the various geometrical parameters of single feedback loop oscillator.
       
  • Characterization of the bubbly flow in a hollow fiber membrane bioreactor
    • Abstract: Publication date: Available online 7 August 2019Source: Chemical Engineering Research and DesignAuthor(s): Mauricio Thomas da Silva, Vinícius da Costa Ávila, Nilo Sergio Medeiros Cardozo, Isabel Cristina Tessaro In membrane bioreactors (MBRs), aeration is widely used for fouling mitigation. To characterize the bubbly flow in MBRs, employing a solution that properly mimics the sludge behavior is essential. Therefore, this work investigates (i) the influence of the aerator pore size on the bubbly flow in xanthan gum solution, and (ii) the effect on the bubbly flow of using water as the continuous fluid and of the absence of the membrane module, conditions sometimes employed as model systems for MBRs. A MBR with a hollow fiber membrane module and a sintered glass plate for the aeration system was studied. Image analysis of the flow was made to assess key bubble parameters: area, circularity, Feret diameter, quantity, and velocity. The bubbly flow formed in the xanthan gum solution presented a lower turbulence level, differing greatly from the one formed in water. Nevertheless, for both fluids, the aerator with smaller pores generated a higher quantity of small bubbles, indicating a larger area of ​​contact with the membrane surface. Such bubbles presented a higher level of size reduction with the presence of the membrane module and higher stability (higher circularity under similar velocities). This suggests that smaller bubbles should present higher antifouling activity.
       
  • Tracer dispersion in a hydraulic fracture with porous walls
    • Abstract: Publication date: Available online 6 August 2019Source: Chemical Engineering Research and DesignAuthor(s): Morteza Dejam This study presents an analytical expression for the dispersion of a tracer transporting through a hydraulic fracture with porous walls. Three different geometrical models for the hydraulic fracture, including rectangular, triangular, and elliptical models, are applied to evaluate the role of the hydraulic fracture geometry on the tracer dispersion coefficient. It is revealed that the average tracer dispersion coefficients for all hydraulic fracture geometries with porous walls are smaller than those with non-porous walls. However, the magnitudes of the average tracer dispersion coefficients in hydraulic fractures with both non-porous and porous walls follow an order of Triangular > Elliptical > Rectangular geometries. The analysis recognizes three distinct regimes of diffusion-dominated, transition, and advection-dominated for each hydraulic fracture geometry. In the diffusion-dominated regime, the advection is not important for the tracer transport and the ratios of the average dispersion coefficients in hydraulic fractures with porous walls to those in hydraulic fractures with non-porous walls are unity (R = 1). In the transition regime, the ratios depend on the Peclet number and they vary in the range of 0.3 Triangular hydraulic fracture geometries in the transition regime. The average tracer dispersion coefficients in the hydraulic fractures with porous walls are 0.3 times smaller than those with non-porous walls within the advection-dominated regime (R = 0.3). Therefore, it is crucial to consider the mass transfer of a tracer from the hydraulic fractures into the matrix in derivation of the dispersion coefficient within the transition and advection-dominated regimes for all hydraulic fracture geometries.Graphical Graphical abstract for this article
       
  • Experimental research into collisions of homogeneous and multi-component
           liquid droplets
    • Abstract: Publication date: Available online 6 August 2019Source: Chemical Engineering Research and DesignAuthor(s): M.V. Piskunov, N.E. Shlegel, P.A. Strizhak, R.S. Volkov This paper presents the results of experiments recording the collision characteristics of droplets of various liquids with each other in a gas medium. We use water-based compositions typical of fuel, petrochemical, and heat and mass transfer technologies: solutions, emulsions, slurries, immiscible two- and multi-component liquids. The study discusses how droplet dimensions, velocities, impact angles, component concentrations and properties affect interaction regime as well as the number and size of child droplets. Threshold conditions are analyzed for the occurrence of bouncing, separation, coalescence, and disruption of droplets. Basic hypotheses are formulated as to why the collision characteristics of single-component droplets in a gas differ from those of highly heterogeneous multi-component ones. We use the interaction regime maps based on the dimensionless processing of experimental results through angular and linear impact parameters, Weber, Reynolds, Ohnesorge, and capillary numbers. Collisions can provide major atomization, in which the relative surface area of the liquid increases 2–6 times. The values of these parameters are influenced by droplet velocity and size, component type (solid or liquid), concentration and properties (density, viscosity, surface tension), as well as temperature and role (projectile or target) of homogeneous and multi-component droplets.Graphical abstractGraphical abstract for this article
       
  • Model-based optimization of the enzymatic aldol addition of propanal to
           formaldehyde; a first step towards enzymatic synthesis of 3-hydroxybutyric
           acid
    • Abstract: Publication date: Available online 6 August 2019Source: Chemical Engineering Research and DesignAuthor(s): Morana Česnik, Martina Sudar, Raquel Roldan, Karel Hernandez, Teodor Parella, Pere Clapés, Simon Charnock, Đurđa Vasić-Rački, Zvjezdana Findrik Blažević 3-Hydroxyisobutyric acid is an important intermediate in the biosynthesis of methacrylic acid. Its biocatalytic synthesis can be performed by aldolase-catalysed aldol addition of propanal to formaldehyde followed by an enzymatic oxidation of the resulting 3-hydroxy-2-methylpropanal to 3-hydroxyisobutyric acid. In this work, d-fructose-6-phosphate aldolase D6Q variant was investigated as a key step for the biocatalytic preparation of 3-hydroxy-2-methylpropanal, a commercially unavailable precursor of 3-hydroxyisobutyric acid. The kinetic model of this step was developed for the purpose of reactor selection and process optimization. It was found that enzyme operational stability decay is co-dependent on the initial formaldehyde concentration. Thus, the choice of the initial conditions is crucial for a successful process set-up. It was concluded that fed-batch was the best reactor choice for this reaction due to enzyme inhibition by formaldehyde and propanal, and its operational stability decay. At the optimal process conditions, the product concentration, product yield, and volume productivity after 5.5 hours were 72 g L–1, 88.5% and 313.7 g L–1 d–1, respectively. Enzymatic oxidation of 3-hydroxy-2-methylpropanal to the corresponding acid was performed as a proof of concept using an aldehyde dehydrogenase in the presence of NAD+, regenerated by water-forming NADH oxidase, and 2.5 g L–1 (24 mM) of 3-hydroxyisobutyric acid was obtained.Graphical abstractGraphical abstract for this article
       
  • Experimental evaluation of sand particle identification in oil-water-gas
           multiphase flows based on vibration signal analysis
    • Abstract: Publication date: Available online 6 August 2019Source: Chemical Engineering Research and DesignAuthor(s): Kai Wang, Gang Liu, Yichen Li, Min Qin, Gang Wang Sand―oil―water―gas pipe flow is common in the chemical and petroleum industries. In this paper, the identification of the solid phase in sand-oil-water-gas bubbly flow was investigated using a vibration-sensing method. Four identical high-frequency vibration sensors were selected to obtain the multiphase flow signals around the exit of a pipe elbow. Typical frequency-domain, mutual coherence, time-domain statistical, and time-domain joint analysis methods were applied for sand-vibration signal identification and characterization. Verification experiments were performed, and good agreement was found between the sand concentration (0.05–0.25 wt.%), particle size (96–180 μm) and vibrational energy in water―gas bubbly flow and oil―water―gas bubbly flow. Sand characteristic frequency bands of 14–15.39 and 15.63–16.09 kHz for water-gas bubbly flow and of 14–16.45 and 19.31–20 kHz for oil-water-gas bubbly flow were found. Sand particles were more easily identified by varying the water velocity than the gas velocity. The validity of the detected sand signals was also verified using an acoustic sensor. It was proven that the vibration-sensing method can be used to characterize solid particles in oil-water-gas bubbly multiphase flows, laying the foundation for solid identification in more complex multiphase flows.Graphical Graphical abstract for this article
       
  • Enzymatic enantioselective hydrolysis of 2-phenylpropionic acid ester:
           experiment and simulation
    • Abstract: Publication date: Available online 4 August 2019Source: Chemical Engineering Research and DesignAuthor(s): Panliang Zhang, Qing Cheng, Lelin Zeng, Weifeng Xu, Xin Yuan, Kewen Tang Kinetic resolution of PPA enantiomers through enzymatic hydrolysis of racemic PPA ester was performed in an aqueous system. A reaction system was constructed by investigating the effects of reaction conditions including lipase type, substrate structure, temperature and pH. On the basis of interfacial reaction mechanism, a mathematical model was developed and the kinetic parameters were estimated by fitting the data to the model. By simulation and optimization, the optimum conditions were obtained as follows: 20 mg mL-1 lipase PS, 30 mmol∙L-1 substrate, reaction for 26 h at 55 °C and pH of 6.0, under which the enantiomeric excess and conversion of (R)-enantiomer could reach up to 99.59% and 91.12% with the relative errors of 1.2% and 0.010% compared with the model predictions, respectively. The model predictions are in good agreement with the experimental data, which provides a powerful tool for process optimization of enantioselective hydrolysis.
       
  • An Efficient Tool to Determine Physical Properties of Ternary Mixtures
           Containing 1-alkyl-3-methylimidazolium based ILs and Molecular Solvents
    • Abstract: Publication date: Available online 2 August 2019Source: Chemical Engineering Research and DesignAuthor(s): Ebrahim Soroush, Mohammad Mesbah, Sohrab Zendehboudi Ionic liquids (ILs) are considered as a proper alternative for conventional solvents. However, they have high viscosity that may result in poor transport phenomena behavior. This problem can be overcome by mixing ILs with less viscous solvents. Furthermore, several IL processes involve molecular solvents as solvents/reactants and products. Hence, appropriate values of physical characteristics of ILs/molecular solvent systems are required to design and optimize corresponding processes. This clearly implies the necessity to develop deterministic tools for forecasting physical properties of ILs /molecular solvents mixtures. In this study, the physical properties (density, refractive index, and viscosity) of 1-alkyl-3-methylimidazolium cation Cnmin+ based ILs with molecular solvents, at 298.15 K and atmospheric pressure, are estimated using a connectionist tool. The proposed correlation strategy offers a strong model, which relates density, refractive index, and viscosity of the Cnmin+ based ILs- molecular solvent ternary mixtures to independent parameters including molecular weight and normal boiling temperature, simultaneously. A proper statistical analysis is performed to guarantee strength and generalization of the deterministic model. The developed network results in R2 of 0.9999, 0.9993 and, 0.9995 in obtaining density, refractive index, and viscosity, respectively. In addition, the error analysis shows MSE of 7.54×10-7, 6.91×10-7, and 1.59×10-1 while determining density, refractive index, and viscosity. A parametric sensitivity analysis is also conducted to assess influences of the input variables on the output parameters. This study can be instructive for design and optimization of chemical processes which employ IL/solvent mixtures.Graphical abstractGraphical abstract for this article
       
  • CFD modeling of unsteady SCR deNOx coupled with regenerative heat transfer
           in honeycomb regenerators partly coated by Vanadium catalysts
    • Abstract: Publication date: Available online 1 August 2019Source: Chemical Engineering Research and DesignAuthor(s): Yonghua You, Zhongda Wu, Weidong Zeng, Zhuang Zhang, Sheng Wang, Fangqin Dai, Zhengming Yi The unsteady selective catalytic reduction (SCR) of NOx with honeycomb regenerators coated by Vanadium catalysts, under the condition of hot gas and cool air blowing alternately in the opposite direction, should be simulated coupled with regenerative heat transfer, because catalyst activity depends on temperature greatly. In the current work, the SCR deNOx model based on the porous medium and volumetric reaction assumptions is developed for the catalyst layer and integrated into our existing three-dimensional (3D) CFD heat transfer model of honeycomb regenerators. Steady SCR deNOx experiments with monolith catalysts are simulated for model validation and the contour is presented to study the NOx concentration polarization. With the novel model, unsteady SCR deNOx in honeycomb regenerators partly coated by a film of V2O5-WO3/TiO2 is simulated, and the effects of structural and operational parameters on the NOx conversion and thermal-hydraulic performances are studied. Besides, the temporal variation curves of fluid temperatures and NO concentration are presented for discussions. Numerical results demonstrate that current CFD model could predict the performances of partly-coated honeycomb regenerators with a reasonable precision and the regenerator with square openings of 6mm × 6 mm could work with a good overall performance at the gas inlet velocity of 4 m/s.
       
  • Multi-component extraction process of high added value compounds from
           microalgae with supercritical CO2: a technical and economic study
    • Abstract: Publication date: Available online 31 July 2019Source: Chemical Engineering Research and DesignAuthor(s): A. Mazzelli, G. Buonanno, D.M. Luzzi, A. Cicci, V. Piemonte, G. Iaquaniello In this work a multicomponent extraction process of high added value compounds (principally omega-3 fatty acids and carotenoids) from a microalgal matrix (Chlorella vulgaris), using supercritical CO2, was studied. Chlorella's metabolites were analyzed singularly, not as a pseudocomponent, and their affinities to the solvent were explored. The Simplified Broken and Intact Cell model was implemented in order to represent the extraction yields and to define the best conditions in terms of operative variables, ensuring the preservation of the bioactive and thermolabile properties of the extracted metabolites. Moreover, these conditions were chosen also for keeping carotenoids’ solubility in supercritical CO2 very low, in order to separate them (residue stream) from fatty acids (extract stream) without further purification steps. All of these informations were used to implement a simulation of the process, optimizing the daily cycles and increasing the productivity. As last step, calculations of the energy and utilities’ consumption for the estimation of the Operating Expense (OPEX) and Capital Expenditure (CAPEX), as starter point for a future industrial implementation of the process, were carried out.Graphical abstractGraphical abstract for this article
       
  • Homemade 3-D printed flow reactors for heterogeneous catalysis
    • Abstract: Publication date: Available online 31 July 2019Source: Chemical Engineering Research and DesignAuthor(s): Oyekunle Azeez Alimi, Ndzondelelo Bingwa, Reinout Meijboom The introduction of 3-D printing technologies and continuous flow microreaction system are rapidly gaining attention in the domain of heterogeneous catalysis. It has facilitated a cleaner method for device fabrication and up scalable approach to chemical synthesis. This work reports a rapid development of precise and highly effective microfluidic system consisting of syringe pumps, Pd/Co3O4 loaded catalyst bed and mixer within a few hours with an inexpensive 3-D printing technology using a poly lactic acid (PLA) thermoplastic filament. Quality, performance, and applicability of the printed devices were assessed by characterization and fidelity tests. Firstly, the Pd/Co3O4 catalyst was synthesized in a four-step approach which basically involves the preparation of mesoporous Co3O4 followed by the immobilization of palladium dendrimer encapsulated nanoparticles (Pd40-DENs). The Pd/Co3O4 catalyst was characterized and showed uniformly distributed palladium nanoparticles on the Co3O4 support.Secondly, the resulting Pd/Co3O4 catalyst was loaded into the 3-D printed catalyst bed and connected to the flow system. The performance of the 3-D printed micro devices was evaluated for the reduction of 4-nitrophenol to 4-aminophenol in continuous flow. The result shows an excellent conversion of the substrate to 4-aminophenol (98%) in 8.00 minutes residence time. The rate of conversion is comparable with previously reported results in batch and continuous flow system. This demonstrates the feasibility of our approach. In addition, continuous usage of the Pd/Co3O4 loaded catalyst bed in the experiment shows excellent catalyst stability and recyclability of more than 5 cycles with an average conversion of more than 90%.Graphical abstractGraphical abstract for this article
       
  • The investigation of stoichiometry and kinetics of cerium (IV) solvent
           extraction from sulfate medium by Cyanex 272 and 301 using single drop
           column
    • Abstract: Publication date: Available online 31 July 2019Source: Chemical Engineering Research and DesignAuthor(s): Raoof Bardestani, Mohammad Kavand, Mahdi Askaripour In the present study, the solvent extraction of cerium (IV) from sulfate medium was investigated by Cyanex 272 and 301. The main objective was to increase our understanding of the behavior of analogous extractants, but different in donor atom, which were achieved by batch and kinetics investigations. This allows better selection of extractants for similar approaches in future works. The investigation of extraction kinetics using single drop columns provides this work with a simpler approach in term of overall procedure for the separation of cerium ions from aqueous solutions, which allows finding how experimental conditions control the rate of reaction. The effects of parameters such as pH, extractant concentration, organic to aqueous volume, and temperature were studied under batch conditions. The complete extraction of 200 mg/L Ce (IV) at pH of 4 was obtained either by Cyanex 272 or 301 diluted in kerosene. Results shows that regarding the structural substitution of oxygen with sulfur, Cyanex 272 has a better performance in a lower concentration, while Cyanex 301 shows higher extraction percentage at lower pH. The extraction by Cyanex 272 and 301 was exothermic and endothermic, respectively. Results of reaction kinetics revealed that by considering the correction of droplets residence time, the rate of extraction either by Cyanex 272 or 301 is independent of the height of the column. Thus, the effects of extractants and cerium concentrations along with the pH of aqueous solution allowed finding the rate of extraction. The cerium mass flux increased by droplet diameter, indicating the contribution of mass diffusion in the extraction.
       
  • Thermal behaviors in heat exchanger channel with V-shaped ribs and grooves
    • Abstract: Publication date: Available online 31 July 2019Source: Chemical Engineering Research and DesignAuthor(s): Pattarapan Tongyote, Pongjet Promvonge, Sompol Skullong An experimental work has been conducted to explore the influence of the combined V-rib and chamfered-V-groove vortex generator (VG) on flow and heat transfer behaviors in a heat exchanger channel having a constant heat-flux on the top wall. Firstly, the V-shaped ribs were mounted on the plain top-wall with a view to creating multiple vortex flows inside. The investigated geometrical parameters were three relative rib pitches (RP = P/H = 1.0, 1.5 and 2.0) and relative rib heights (called “blockage ratio”, RB = e/H = 0.3, 0.4 and 0.5) at a single attack angle (α = 45°). Secondly, the ribs were again placed on the chamfered-V-grooved top-wall having three relative groove-pitches (RP = 1.0, 1.5 and 2.0) like the rib case but at a fixed groove width and depth. Air as the test fluid flowed through the heat exchanger channel for Reynolds number (Re) ranging from 5300 to 23,000. Influences of the newly designed heat exchanger surface on the Nusselt number (Nu) and friction factor (f) have been examined and compared with the flat surface data at similar test conditions. The experimental result reveals that the combined rib-groove with small RP and large RB yields the heat transfer and friction loss higher than the one with large RP and small RB. Nevertheless, thermal enhancement factor (TEF) obtained at a constant pumping power shows that the combined rib-groove case with PR = 1.5 and RB = 0.4 provides the highest value around 1.907. To explore the influence of the rib thickness on thermal performance, the rib thickness size was reduced to be a very thin rib, called the “baffle”. The study points that at PR = 1.5, the baffle-groove with RB = 0.3, 0.4 and 0.5 provide, respectively, TEF around 2.12, 2.14 and 2.11, indicating that the baffle-groove performs better than the rib-groove around 13%.
       
  • Modified natural loofah sponge as an effective heavy metal ion adsorbent:
           amidoxime functionalized poly(acrylonitrile-g-loofah)
    • Abstract: Publication date: Available online 30 July 2019Source: Chemical Engineering Research and DesignAuthor(s): Lelin Zeng, Qian Liu, Mang Lu, Enxiang Liang, Guoxiang Wang, Wenyuan Xu Natural loofah sponge is a low cost adsorbent, but its adsorption property needs to be improved. A grafted copolymer of poly(acrylonitrile-g-loofah) [poly(AN-g-loofah)] was prepared using cericammonium nitrate (CAN) as initiator. The poly(AN-g-loofah) was further functionalized into a amidoxime-modified poly(AN-g-loofah), which was characterized through FT-IR, X-ray diffraction, and thermogravimetric analysis. The adsorption capacity of amidoxime-modified poly(AN-g-loofah) was investigated under different adsorption conditions. Amidoxime-modified poly(AN-g-loofah) with approximately 70% conversion of the nitrile group could adsorb 51.40 mg/g Cu2+, which is more than two times higher than that obtained by previous studies. The modified Langmuir isotherm model and pseudo-second-order model fitted well with the Cu2+ adsorption data. A good adsorption amount of Cu2+ was obtained after five adsorption-deadsorption cycles. Hence, amidoxime-modified poly(AN-g-loofah) could be used as a novel substance for waste water treatment in industrial level.Graphical abstractGraphical abstract for this article
       
  • Optimisation of the in-situ recovery of butanol from ABE fermentation
           broth via membrane pervaporation
    • Abstract: Publication date: Available online 29 July 2019Source: Chemical Engineering Research and DesignAuthor(s): Hoda Azimi, Handan Tezel, Jules Thibault Butanol produced via the ABE fermentation is plagued with low final concentrations and low yield. The selective removal of butanol from the fermentation broth by integrating a separation process to the fermenter for the in situ recovery of butanol has been proposed by many researchers. In this investigation, the integration of a membrane pervaporation separation process with the continuous ABE fermentation system has been simulated and optimized using a multi-objective genetic algorithm. The ABE fermentation model proposed by Mulchandani and Volesky was used and the multi-objective optimisation problem was defined to simultaneously maximize the butanol productivity, the overall butanol concentration and the sugar conversion. The three objective functions, if non-dominated, define the Pareto domain of the optimisation problem along with the four decision variables, namely the dilution rate, the feed sugar concentration, the cell retention factor and the membrane surface area. The optimal solutions of the integrated process for two different pervaporation membrane models were compared to the stand-alone continuous fermentation. By adding an in situ separation system to the continuous ABE fermentation, the optimal butanol productivity and overall butanol concentration increased by approximately 250% compared to those of the non-integrated fermenter. Furthermore, the sugar conversion also increased.
       
  • Decision Making Scheme of Integration Design and Control under Uncertainty
           for Enhancing the Economic Performance of Chemical Processes with
           Multiplicity Behaviors
    • Abstract: Publication date: Available online 29 July 2019Source: Chemical Engineering Research and DesignAuthor(s): KuangLei Wang, Junghui Chen, Lei Xie, Hongye Su In this paper, a robust decision-making strategy for integration of design and control under uncertainty is developed for multiple steady-state processes. The major challenge in the integration of design and control is the presence of disturbances and process uncertainty, particularly in the nonlinear process with multiple steady states. A fuzzy model is used as a surrogate model to reduce computational loading in a large operating scope in this work. Based on fuzzy model rules, a robust PI controller design using linear matrix inequalities is developed to guarantee the disturbance rejection performance, stability, and robustness. Finally, through an illustrative process with multiplicity behaviors, the features of the proposed method are demonstrated. Comparisons between the proposed method and the conventional sequential approach are made. The resulting design shows that the proposed method under the designed process with uncertainty would gain more profits than the past design approaches.
       
  • Assessment and modelling of the effect of precipitated ferric chloride
           addition on the activated sludge settling properties
    • Abstract: Publication date: Available online 29 July 2019Source: Chemical Engineering Research and DesignAuthor(s): E. Asensi, E. Alemany, P. Duque-Sarango, D. Aguado This research studies the effect of the widely used coagulant ferric chloride on the activated sludge sedimentability through a vast array of hindered settling tests considering different application modes and a wide range of reagent doses. Direct application of ferric chloride improved the hindered settling velocity (up to twice the settling velocity of the activated sludge with no coagulant addition), but sharply decreased the pH to levels where the biological process was unfeasible (pH 
       
  • Dynamic modelling, simulation and economic evaluation of two CHO
           cell-based production modes towards developing biopharmaceutical
           manufacturing processes
    • Abstract: Publication date: Available online 29 July 2019Source: Chemical Engineering Research and DesignAuthor(s): Haruku Shirahata, Samir Diab, Hirokazu Sugiyama, Dimitrios I. Gerogiorgis Chinese Hamster Ovary (CHO) cells are widely used in fermentation towards biopharmaceutical manufacturing. The present paper presents dynamic mathematical models of two different CHO culture modes: one batch mode for the production of interferon, and one perfusion mode for the production of a monoclonal antibody (mAb). The dynamic models have been used for simulating cell, substrate, by-product and product concentration trajectories, which have been compared against previously published experimental results. A sensitivity analysis of both models has been conducted, in order to analyse the relative importance of operating parameters towards biopharmaceutical process design. An economic analysis has also been subsequently performed: time and net present cost for given target capacities have been evaluated, using the validated dynamic models for the batch and perfusion modes. Economic trends have been discussed for variable initial concentration of viable CHO cells to be used in bioreactors: the latter has been recognized as the most sensitive model parameter for both culture modes.Graphical abstractGraphical abstract for this article
       
  • Hexamethylenediamine functionalized Glucose as a new and environmentally
           benign corrosion inhibitor for copper
    • Abstract: Publication date: Available online 29 July 2019Source: Chemical Engineering Research and DesignAuthor(s): Dheeraj Singh Chauhan, A. Madhan Kumar, M.A. Quraishi A bifunctional N-glycoside namely N,N′-Diglycidyl-1,6-hexanediamine (DHA) was synthesized by the facile reaction of 1,6-hexamethylene diamine and glucose and its corrosion inhibition behavior was evaluated on copper in 3.5% NaCl solution for the first time. A detailed electrochemical study using electrochemical impedance spectroscopy (EIS), potentiodynamic polarization and scanning electrochemical microscopy (SECM) was carried out to understand the mechanism of corrosion inhibition shown in the present work. The DHA showed a corrosion inhibition efficiency of > 95% at a concentration of 0.27 mmol L-1. The adsorption of DHA over copper surface followed the Langmuir isotherm. The surface and the electrochemical reactivity of the inhibitor-modified Cu samples in 3.5% NaCl solution was examined by the SECM technique, demonstrating the formation of a thin inhibitor film with exposure/immersion time in solution containing DHA molecules. The results of surface analysis using scanning electron microscopy (SEM) and ATR-IR spectroscopy supported the adsorption of inhibitor molecules over copper surface. The quantum chemical parameters and molecular electrostatic potential were evaluated using density functional theory, further supported the experimental findings.Graphical abstractGraphical abstract for this article
       
  • Synthesis and characterization of Ag/TiO2/composite aerogel for enhanced
           adsorption and photo-catalytic degradation of toluene from the gas phase
    • Abstract: Publication date: Available online 27 July 2019Source: Chemical Engineering Research and DesignAuthor(s): Ahmad Jonoidi Jafari, Majid Kermani, Ahmad Hosseini-Bandegharaei, Ayoob Rastegar, Mitra Gholami, Ahmad Alahabadi, Gholamali Farzi Despite titanium dioxide has some remarkable properties as a photo-catalyst, its usage in the photo-catalysis processes is associated with several drawbacks, like high band gap energy and clumping of its particles. In this study, a composite aerogel was exploited as a support for titanium dioxide to prevent clump formation and increase the production of electron-hole pairs. The results revealed that both utilized nanoparticles, i.e. TiO2 and Ag, were uniformly dispersed on the surface of composite aerogel. The absorption region of the synthesized catalysts shifted to the visible region and, in fact, the additions of Ag to the composite aerogel reduce the band gap energy of TiO2 from 3.17 to 2.7 eV. Studies on the degradation of toluene in gas streams through a fluidized bed reactor showed that the photo-catalytic activity of TiO2 supported on the composite aerogel was much higher than that of the unsupported titanium dioxide, so that the degradation rates of toluene were 95.7% and 15%, respectively for supported and unsupported TiO2. The results indicated that the highest oxidation rate of toluene was obtained at 45% humidity. The Intermediate products formed during the degradation of toluene by the composite photo-catalyst were identified which were included formic acid, acetic acid, and benzaldehyde. Overall, the composite aerogel could be used as a useful support for the TiO2 catalyst, and the prepared photo-catalyst has a high potential to be used in the oxidation of toluene in gas-phase streams in industrial scale.
       
  • Estimation of the radial distribution of axial velocities in fixed beds of
           spherical packing
    • Abstract: Publication date: Available online 24 July 2019Source: Chemical Engineering Research and DesignAuthor(s): Carlos D. Luzi, Néstor J. Mariani, Daniela A. Asensio, Osvaldo M. Martinez, Guillermo F. Barreto The vessel wall of densely packed beds exert a strong influence on particle distribution that generates a radial porosity profile and, in turn, a radial profile of axial velocity. A direct consequence is the appearance of an uneven flow distribution on the bed cross-section and radial variations of transport properties. A widespread alternative for estimating such a velocity profile is to solve the so-called extended Brinkman equation, using an available radial porosity profile. To this end, it is employed a local version of an expression quantifying the drag force on the packing (usually the Ergun equation) and an effective viscosity to account for the radial transport of axial momentum. It is shown that the existing expressions to evaluate the effective viscosity are only suitable for a restricted range of Reynolds numbers. Supported on the expressions from averaging the microscopic conservation equations, it is reassessed the local evaluation of the drag force and the estimation of the effective viscosity. The use of the extended Brinkman equation with such changes allows a satisfactory description of the radial velocity profile for mono-sized spherical packing, as arisen from the comparison with available experimental results and with an important number of results from pore-scale simulation.Graphical abstractGraphical abstract for this article
       
  • Evaluation the Effects of Geometrical Parameters on the Performance of
           Pillow Plate Heat Exchanger
    • Abstract: Publication date: Available online 19 July 2019Source: Chemical Engineering Research and DesignAuthor(s): Mojtaba Shirzad, Mojtaba Aghajani Delavar, Seyed Soheil Mousavi Ajarostaghi, Kurosh Sedighi The growing demand for energy-saving in industries has led to numerous researches to improve the heat exchangers thermal performance in a variety of methods. The pillow plate heat exchanger (PPHE) is one of the new types of plate heat exchangers that have specific functional properties compared to conventional plate heat exchangers. The objective of the present investigation is providing comprehensive information about effective geometrical parameters of PPHEs for optimal design. In the present study, the performance of PPHEs is studied by numerical simulation. The obtained results have shown that the geometrical parameters of the PPHEs have a significant effect on thermal performance. The considered geometrical parameters include the height of pillow plate channels, and the longitudinal and transversal distance of welding spots. The heat exchanger thermal performance increases by expanding the height of the pillow channel mostly at low Reynolds number. After increasing longitudinal and transversal distance of welding spots the heat transfer and friction factor decreases in both cases. However, the effect of friction factor decrement on heat exchanger performance is more than decreasing in heat transfer. Thereby the PPHE with longer longitudinal or transversal distance of welding spot is efficient.
       
  • Dimensionless numbers for solubility and mass transfer rate of CO2
           absorption in MEA in presence of additives
    • Abstract: Publication date: Available online 21 June 2019Source: Chemical Engineering Research and DesignAuthor(s): Abdolah Mohammadpour, Masoumeh Mirzaei, Alireza Azimi This study aimed to compare the both solubility and mass transfer rate of CO2 in monoethanolamine (MEA) in the presence of various additives, including Titanium dioxide (TiO2) and Graphene oxide (GO) nanoparticles as well as two surfactants named Tetra-n-butylammonium bromide (TBAB) and Sodium dodecyl sulfate (SDS) using dimensionless numbers. Batch gas absorption experiments were performed at ambient temperature and various concentrations of additives from 0 to 0.1 wt% at an initial pressure of 20 bar. By recording changes in the temperature and pressure of the gas in the loading tank, the number of CO2 moles consumed was obtained in terms of time. The mass transfer coefficient and solubility were then calculated by kinetic and thermodynamic analyses. The dimensionless numbers, namely ES and ER, were calculated to analyze the behavior of the system. ES represents the solubility in the presence of an additive to that in the base solvent, whereas ES shows the mass transfer coefficient in the additive-containing solvent to that in the base solvent. The new, useful dimensionless number Et was defined to investigate the mass transfer rate and solubility simultaneously. For the additives used in this study, the highest ES, ER and Et were 1.31(0.0375 g of SDS), 1.25(0.075 g of TBAB) and 1.57(0.075 g of SDS), respectively. The results shows that surfactants have better effect on solubility and mass transfer rate of CO2 in MEA.
       
  • Pilot Scale Applied Research on CO2 Removal of Natural Gas Using a
           Rotating Packed Bed with Propylene Carbonate
    • Abstract: Publication date: Available online 4 April 2019Source: Chemical Engineering Research and DesignAuthor(s): Liangyu Xiang, Liankun Wu, Lidong Gao, Jianfeng Chen, Yingfan Liu, Hong Zhao Absorption of CO2 from a CO2/N2 mixture with propylene carbonate (PC) as the absorbent using a rotating packed bed (RPB) in pilot scale was systematically investigated in this paper. RPB is characterized by simple operation and high efficiency with small volume, which may be an alternative method for CO2 removal offshore. The effects of operating parameters on the removal efficiency of CO2 and the Kya values such as temperature, pressure, inlet liquid flow rate and the rotational speed of RPB were studied. Experimental results indicated that the efficiency of this absorption process could be regulated by appropriate operating conditions of the RPB.Graphical abstractGraphical abstract for this article
       
 
 
JournalTOCs
School of Mathematical and Computer Sciences
Heriot-Watt University
Edinburgh, EH14 4AS, UK
Email: journaltocs@hw.ac.uk
Tel: +00 44 (0)131 4513762
Fax: +00 44 (0)131 4513327
 
About JournalTOCs
API
Help
News (blog, publications)
JournalTOCs on Twitter   JournalTOCs on Facebook

JournalTOCs © 2009-