Chemical Engineering Science

Article	Citations
Influence of water on amine loading for ordered mesoporous silica	271
Hydraulics and mass transfer characteristics of novel helical liquid-bridge flow structured packings	150
Semi-solid reactive interfaces based on ZnO@C core-shell materials for zinc-iron flow batteries	94
Industrial scale 3D printed catalytic converter for emissions control in a dual-fuel heavy-duty engine	93
Multi-direct forcing immersed boundary method for modelling heat and mass transfer of dynamic particles in three-dimensional fluid–solid systems	87
Surfactant effect on bubble deformation and breakup after interaction with vortex structure	79
Optimal kinetic modeling based on automatic reaction network generation for single and mixed light hydrocarbon steam cracking	78
Enhancing reaction kinetics and stabilizing lithium deposition in lithium-sulfur batteries with an FeBr2DME additive	78
Synergic donor/acceptor pair fingerprint-embedding generation for machine learning enhancement in organic solar cells	66
Effect of EDTA on the morphologies and mechanical properties of hydrothermally prepared calcium sulfate hemihydrate crystals	63
Yarrowia lipolytica uses olive tree prunings hydrolysates for microbial lipids as biodiesel feedstock	62
Phenolic compounds recovery to treat and valorize olive mill wastewater: Technologies overview	62
Efficient non-radical Dominated activation of persulfate through magnetite nanoparticles for tetracycline oxidation in natural water systems: Mechanism Evaluation and DFT calculations	60
DFT calculations and machine learning for the study of ethane dehydrogenation on the heteroatom-doped graphene supported Pt SACs	58
An integrated algorithm framework for multi-objective optimization of heat exchanger networks considering temperature-dependent heat capacity	58
Versatile snail-inspired superamphiphobic coatings with repeatable adhesion and recyclability	57
Thermodynamic and molecular insights into gas drying with ionic liquid − based mixed absorbents	56
Experimentally validated predictive PI-PD control strategy for delay-dominant chemical processes	56
Visual dynamical measurement of the solute-induced Marangoni effect of a growing drop with a PLIF method	55
Wave reflections in counter-current separation processes with unequal mass transfer coefficients	53
Comprehensive study of high-temperature calendar aging on cylinder Li-ion battery	52
A bilateral semi-resolved CFD-DEM approach for cost-effective modelling in a rotary drum	51
A smart photonic crystal hydrogel sensor based on 18-crown-6/Ba2+ host–guest interactions for highly selective and visual Ba2+ detection	51
Light-driven reduction of carbon dioxide: Altering the reaction pathways and designing photocatalysts toward value-added and renewable fuels	50
Highly selective hydrogenation of arenes over Rh nanoparticles immobilized on α-Al2O3 support at room temperature	50

Catalytic conversion of polyoxymethylene with bio-derived substrates: kinetic modeling on solvent enhancement effect and experimental studies on reaction mechanism	50
Hydrodynamics of expanded bed adsorption studied through CFD-DEM	49
Particle shape-induced axial segregation of binary mixtures of spheres and ellipsoids in a rotating drum	48
Uncovering the hydrophobic mechanism of a novel dithiocarbamate-hydroxamate surfactant towards galena	48
Hydrodynamics of inverse liquid-solid circulating fluidized bed	47
Flow patterns, liquid holdup, and wetting behavior of viscous liquids in a disk-distributor rotating packed bed	47
Pd nanoparticles decorated N-doped holey graphene assembled on aluminum silicate fibers agglomerate for catalytic continuous-flow reduction of nitroarenes	46
Flow dynamics and mixing past pairs of confined microfluidic cylinders	46
Sustainable energy recovery from salt-lake brines through a novel selective reverse electrodialysis process	46
Boiling heat transfer on two-tier hierarchical structured surface	45
Micropore blocking strategy for mitigating adsorption and diffusion limitations in the direct epoxidation of propylene	45
Theoretical insights into the size effect of α-Fe2O3 oxygen carrier on chemical looping reforming of methane	45
Natural and environmentally friendly rhamnolipid functionalized luffa fibers for adsorptive removal of pharmaceutical contaminant: Batch and fixed-bed column studies	44
Data-efficient surrogate modeling of thermodynamic equilibria using Sobolev training, data augmentation and adaptive sampling	44
Pore-scale CFD simulations of clay mobilization in natural porous media due to fresh water injection	44
Exploring gallium nitride nanosheets capability as a high-salt rejection membrane material: A molecular dynamics study	44
Heat transfer of symmetric impacts of two droplets on a hot liquid film	43
Sustainable removal of methylene blue dye from textile effluents by magnetized Tea waste and Peanut shells	43
Revisit the pathway and kinetics for transformation of light olefins over ZSM-5 modeling: Influence of steam-pretreatment	43
Unveiling ionic redox potentials: Advancing prediction through large-scale MLMD and FEP integration	43
Techno-economics and environmental assessment of sorbitol and itaconic acid production from sugarcane-based feedstock	43
Heat and mass transfer limitations of released power for thermochemical heat storage process: Three main operation modes	43
Controlling the impact dynamic behavior of a water-in-oil compound drop using the dielectrowetting effect	42
Immobilization of Pd(0) nanoparticles on gemini quaternary ammonium functionalized polyacrylonitrile fibers as highly active catalysts for heck reactions and 4-nitrophenol reduction	42
A dynamic optimization framework for basic oxygen furnace operation	42
An integrated approach to fast model-based process design: Integrating superstructure optimization under uncertainties and optimal design of experiments	41
MnO2 shape dependent catalytic activity in vapour phase benzyl alcohol (BnOH) oxidation in presence of air	41
Causal network inference and functional decomposition for decentralized statistical process monitoring: Detection and diagnosis	41
Epoxidation of trans-stilbene in a microfluidic plasma reactor	41
Development of explicit models to predict methane hydrate equilibrium conditions in pure water and brine solutions: A machine learning approach	40
Pressure drop analysis for the droplet break-up flow in a locally constrictive microchannel	39
Enhanced drag reduction performance by interactions of surfactants and polymers	39
Analysis of grinding in a spiral jet mill. Part 1: Batch grinding	39
Root cause analysis of faults in cement pre-decomposition system using kernel principal component analysis and multi-scale symbolic transfer entropy	39
Simulation and optimization of axial-flow and radial-flow reactors for dehydrogenation of ethylbenzene into styrene based on a heterogeneous kinetic model	39
Silicotungstic acid-supported C@SiO2 nanospheres as an efficient oxidative desulfurization catalyst	39
Illustrating the effect of physicochemical properties within vitrinite and inertinite on residual carbon formation in drop tube furnace	39
Combination of electric field and medium coalescence for enhanced demulsification of water-in-oil emulsion	39
A new hydrodynamic analogy model for the determination of transport phenomena in random packings	38
Microdroplet-based synthesis of polymethylsilsesquioxane microspheres with controllable size, surface morphology, and internal structure	38
Residence time distributions in a liquefier of material extrusion process	38
Experimental measurements on the microbubble characteristics and dissolved oxygen (DO) in water using single and twin-Venturi type microbubble generators	38
Regulating the surface local environment of MnO2 materials via metal-support interaction in Pt/MnO2 hetero-catalysts for boosting methanol oxidation	38
Void fraction distribution for convective boiling flows in single and multiple heater rods assembly	38
Ultra-rapid fluoride removal by magnetic calcium-doped layered yttrium hydroxides at environmental-relevant concentrations	37
Influence of material properties on voidage of numerically generated random packed beds	37
Fluorine-activation driving surface reconstruction on CoNi nanoparticles for high-energy supercapacitors	37
A theoretical analysis on the separation of mixtures by extractive adsorption	37
Solid-liquid flow in stirred tanks: “CFD-grade” experimental investigation	36
Artificial neural network aided unstable combustion state prediction and dominant chemical kinetic analysis	36

Comparison between RANS and 3D-PTV measurements of Newtonian and non-Newtonian fluid flows in a stirred vessel in the transitional regime	36
Microfluidics-assisted synthesis of hydrogel microparticles with acoustic-magnetic control	35
Construction of a visible light responsive dual Z-scheme NH2-MIL-101(Fe)/CdS/g-C3N4 ternary heterojunction photocatalyst for efficient CO2 photoreduction to methanol	35
Kinetics model of piperacillin synthesis in a microreactor	35
High-performance MnO2 embedded fly ash zeolite applied for effective mineralization of bisphenol-A and sorption of congo red: Mechanism, real water application, and toxicity assessment	35
Design and development of high shear mixers: Fundamentals, applications and recent progress	35
Imaging method for the determination of the minimum agitation speed, N, for solids suspension in stirred vessels and reactors	35
Synthesis of highly self-N-O-dual doped unique carbon blooming flower-like nanofiber derived novel snake-plant waste for ultrahigh energy of solid-state-supercapacitor	35
Pharmaceutical tazobactam sodium single crystal structure determination, polymorphism and crystallization process	34
An optimized miniaturized annular rotating flow reactor for controllable continuous preparation of functionalized polysilsesquioxane microspheres	34
An insight on effects of activated carbon and a co-promoter on carbon dioxide hydrate formation and dissociation	34
Numerical investigation on preparation of expanded polymer beads using supercritical CO2 in a spouted bed	34
Phase equilibrium modeling for carbon dioxide Capture and Storage (CCS) fluids in brine using an electrolyte association equation of state	33
Deep learning for drag force modelling in dilute, poly-dispersed particle-laden flows with irregular-shaped particles	33
Bioinspired flow Fields: A numerical investigation into Nature-Mimicking designs for boosting vanadium redox flow batteries	33
Enhanced n-propanol oxidation coupled with hydrogen evolution by electrocatalytic membrane structured reactor via flow-through operation	33
Molecular dynamics simulation study on the mechanism of nanoparticle dispersion stability with polymer and surfactant additives	33
Classical density functional theory in three dimensions with GPU-accelerated automatic differentiation: Computational performance analysis using the example of adsorption in covalent-organic framework	33
Engineering characterization of the novel Bach impeller for bioprocessing applications requiring low power inputs	32
Photo-Fenton efficient degradation of organic pollutants over S-scheme ZnO@NH2-MIL-88B heterojunction established for electron transfer channel	32
An integrated ionic liquid hybrid polymeric fixed-bed reactor with a porous sponge-like structure for biomass hydrolysis	32
PUFFIN: A path-unifying feed-forward interfaced network for vapor pressure prediction	32
Near-infrared imaging to quantify the diffusion coefficient of sodium pentaborate aqueous solution in a microchannel	32
A cleavable self-aggregating tag scheme for the expression and purification of disulfide bonded proteins and peptides	31
Favorably adjusting the oxygen species over Fe-Mn binary oxide sorbent by directional etching for arsenic oxidation and adsorption	31
CFD-based model of adsorption columns: Validation	31
Preparation of superhydrophilic sodium alginate/chitosan-Ag composite membranes with antibacterial activity for effective oil–water emulsion separation	31
Efficient removal of dissolved tributyl phosphate from nitric acid solution by a membrane dispersion micro extractor	31
A model for evaluating the micro-explosion of a single droplet of water-in-oil emulsions and the effect of hydrophilic surfactants on the phenomenon	30
Scalable production of concentrated graphene oxide dispersion from acidic graphite oxide within one system	30
ANN prediction of particle flow characteristics in a drum based on synthetic acoustic signals from DEM simulations	30
A new efficiency relaxation model for rigorous stage number optimization of distillation columns	30
Combining silica to boost the ammonia synthesis activity of ceria-supported Ru catalyst	30
Construction of Co0.85Se@nickel nanopores array hybrid electrode for high-performance asymmetric supercapacitors	30
Advanced oxidation processes at ambient conditions for olive oil extraction industry wastewater degradation	30
Li2ZrO3 modified with molten salts as potential materials for CO elimination: Effect of carbonate type and oxygen addition	30
Vacuum swing adsorption process for post-combustion carbon capture with 3D printed sorbents: Quantifying the improvement in productivity and specific energy over a packed bed system through process si	30
CFD-PBE coupled model for size-driven segregation in polydisperse granular flows	30
Robust adaptive neural network event-triggered compensation control for continuous stirred tank reactors with prescribed performance and actuator failures	29
W/W droplet-based microfluidic interfacial catalysis of xylanase-polymer conjugates for xylooligosaccharides production	29
Experimental and microscopic simulation study on CO2 diffusion in an oil-water liquid system	29
Stripping phase model for steam pressure filtration in combination with a water insoluble pore liquid	29
Molecular-level insights into the structure stability of CH4-C2H6 hydrates	29
Sequential fixed-fluidized bed foam granulation (SFFBFG) and drying: Multivariate model development for water content monitoring with near–infrared spectroscopy	29
Large pore volume CNT-based Li-O2 battery with Li-Nafion solid polymer electrolyte	29
Editorial Board	28
A process systems Engineering approach to analysis of fructose consumption in the liver system and consequences for Non-Alcoholic fatty liver disease	28
Editorial Board	28
Editorial Board	28
Nonnegligible nano-confinement effect on solvent-mediated interactions between nanoparticles	28
A unified Monte Carlo approach for population balance simulation of particle coagulation and breakage	28
Effects of graphene oxide membrane thickness reduction on microstructure and crossflow separation performance in kraft black liquor dewatering	28
Phenylboronic acid modified carbon dots for improved protein delivery	27
Towards best practice recommendations for turbulence modelling of high-pressure homogenizer outlet chambers – Numerical validation using DNS data	27
Analyzing transport in ceramic membranes for organic solvent nanofiltration using Maxwell-Stefan theory	27
Efficient direct numerical simulation of gas absorption in falling films using a combined high-throughput/high-performance approach	27
Two-dimensional incremental recursive least squares identification for batch processes	27
Investigation of the impact of probes and internals on power and flow in stirred tank reactors	27
Efficient global sensitivity-based model calibration of a high-shear wet granulation process	27
Capturing low-carbon alcohols from CO2 gas with ionic liquids	27
CO2 methanation over αβ-MoXC catalyst: Effects of phase heterojunction	27
Editorial Board	26
Extensional rheology of hydrophobically associating polyacrylamide solution used in chemical flooding: Effects of temperature, NaCl and surfactant	26
Mechanistic modelling of two-phase slug flows with deposition	26
Ultra dispersed Co supported on nitrogen-doped carbon: An efficient electrocatalyst for oxygen reduction reaction and Zn-air battery	26
Solubility of FeCO3 in aqueous NaCl, and aqueous HCl	26
Global optimization of the design of horizontal shell and tube condensers	26
Scale-up analysis of the oxidative dehydrogenation of ethane over MoVTeNbOx catalysts in an autothermal reactor	26
Automatic system for monitoring gaseous concentration in a packed-bed solid-state cultivation bioreactor	26
Effects of hydrodynamics on the droplet adsorption at the interface of parallel flow in a microchannel	26
Numerical simulation of the sorption phenomena during the transport of VOCs inside a capillary GC column	26
Probing the roles of S atom and nanoparticle size over different sizes of S-modified Cu and Pd nanoparticles in regulating catalytic performance of acetylene Semi-hydrogenation	26
Editorial Board	26
Towards High-quality graphite oxide from graphite – Systemization of the balance in oxidative and mechanical forces for yield enhancement	26
An efficient two-step optimization method for mass exchanger network synthesis	26
Switchable production of aromatics and alkanes by Ni-ReOx/CeO2-catalyzed wood depolymerization	26
Microwave enhanced catalytic hydration of acrolein to 3-hydroxypropionaldehyde using simultaneous cooling: Experimental and theoretical studies	26
Catalytic combustion kinetics of methyl butanoate over Pd/γ-Al2O3 catalysts: An experimental and theoretical study	26
Air injection in vertical water column: Experimental test and numerical simulation using volume of fluid and two-fluid methods	25
Miniaturized pattern formation in a soft elastically graded thin film in adhesive contact	25

A novel density functional study on the freezing mechanism of a nanodroplet under an external electric field	25
Synthesis of internally carbon-sourced carbon nanofiber forming Ni-graphitic carbon nitride	25
Editorial Board	25
Insights into the slagging process during the utilization of food waste: Ash-making temperature and additives	25
Elucidation of C–N bond cleavage mechanism in quinoline hydrodenitrogenation over Pt-based catalysts	25
A comparison of the inhibition effect of Zn2+or Fe2+ in the oxidation of α-t	25
Algorithms for solving boundary value problems in optimal control of seeded batch crystallization processes with temperature-dependent kinetics	25
Xenon hydrate formation in water-in-oil emulsion: Investigation with the radiographic method	25
Hydrodynamics in a three-phase flotation system – Fluid following with a new hydrogel tracer for Positron Emission Particle Tracking (PEPT)	25
Editorial Board	25
The pH of CO2–saturated aqueous KCl solutions at temperatures between 298 K and 423 K at pressures up to 13.5 MPa	24
Freezing fouling from aqueous solutions of TBAB and TME clathrate hydrates	24
Assessing benefits in the flexibility of refined oil logistics from pipeline network integration reform: A case from South China	24
Individual slugs in a pneumatic conveyor of multiple slugs are likely unstable	24
Editorial Board	24
Hydrate dispersion stability in synergistic hydrate inhibition of monoethylene glycol and anti-agglomerants	24
Model-based evaluation of a membrane-assisted hybrid extraction-distillation process for energy and cost-efficient purification of diluted aqueous streams	24
Optimal design of infusion tests for the identification of physiological models of acquired von Willebrand syndrome	24
Towards low-carbon consumption and cleaner methanol production via hybrid hydrogen supply strategy: A techno-economic-environment assessment	24
Computational fluid dynamic analysis of an adsorption-based cogeneration osmotic heat engines with stepwise porosity distribution	24
A PLIC-based method for species mass transfer at free fluid interfaces	24
Multi-material modeling of sorption-desorption processes with experimental validation	24
Current state of predictive activity models when applied to cyclic bio-compounds and biodiesel related mixtures	24
Differentiation of static and dynamic interfacial area in the structured packed column	24
Entrainment dynamics of a Taylor bubble crossing stratified liquid–liquid interface	24
Laminar drag reduction in microchannels with liquid infused textured surfaces	24
Importance of gas input in aqueous two-phase flotation (ATPF)	24
Process intensification of SO2/CO2 co-capture using microscale vortex flow contactor: Mass transfer behaviors, performance modeling, and flow simulation	24
Interaction of rough ellipsoidal particles with random surface asperities in colloidal systems	24
Renormalization group method for the turbulent mass transport two-equation model	23
High-resolution simulation of oscillating bubble plumes in a square cross-sectioned bubble column with an unsteady k-ε model	23
A novel approach for computing washcoat diffusional effects in reduced order models of monolith reactors	23
Preparation of two-dimensional nanoconfined ionic liquid membrane and its molecular mechanism of CO2 separation	23
Synthesis of a novel polysiloxane as an inhibitor in water-based drilling fluids and an assessment of the inhibition mechanism	23
Modeling and optimization of the self-embrittle corrosive bifunctional detergent for corrosive deep decontamination of stainless steel surface by RAFT one-pot method based on machine learning and resp	23
Heel estimate during pressure-driven drainage of gels from tanks	23
Editorial Board	23
Editorial Board	23
Numerical analysis of the pore-scale mechanisms controlling the efficiency of immiscible displacement of a pollutant phase by a shear-thinning fluid	23
Interfacial regulation of freestanding TiO2/C composite nanofibers for fast sodium storage	23
Construction of ZnSe protective layer on zinc oxide for ultra-stable cycling of zinc-nickel batteries at high rates	23
Flow Obstacles Minimize Surface Turbulence in Tilt Casting	23
Editorial Board	23
Flow pattern determination and rheological characteristics of high-density phase change material slurry in homogeneous flow	23
Editorial Board	23
H2 mass transfer – A key factor for efficient biological methanation: Comparison between pilot-scale experimental data, 1D and CFD models	23
Diffusion of nonassociated and hydrogen-bonded aromatic compounds in ethanol: A bifunctional model for limiting mutual diffusivities	23
CFD and experimental microfluidic study of the interaction between a natural compound nanoemulsion and E. coli bacterium considering reaction-diffusion-convection model	23
Development of graphene oxide – PDMS composite dielectric for rapid droplet movement in digital microfluidic applications	22
Labelled Object Velocimetry: Simultaneous Measurements of Bubble Size and Velocity	22
Experimental and theoretical analysis of water spreading on horizontal grooved surfaces	22
Numerical study of capillary-dominated drainage dynamics: Influence of fluid properties and wettability	22
Efficient conversion of non-biodegradable waste into hard carbon as a cost-effective anode for sodium-ion batteries	22
DEM simulation of standpipes under the negative pressure gradient	22
On the differences between periodic domain and fluidized bed	22
Mechanistic study on metastable and stable liquid–liquid phase separation explored by molecular simulation and thermodynamic analysis	22
Numerical and experimental investigation of irradiance profiles on suspended particles in a flat disk photoreactor for hydrogen generation	22
CFD modelling of mass transfer in liquid–liquid core-annular flow in a microchannel	22
Editorial Board	22
Velocity characterization of solids in binary fluidized beds	22
A conical shaped self-healing slippery film for enhanced fog harvesting in windy environment	22
An experimental study on the liquid phase properties of a bubble column operated in the homogeneous and in the heterogeneous regimes	22
Comparison of the carbon footprints of combined heat and power (CHP) systems and boiler/grid for supplying process plant steam and electricity	22
Synthesis of polyoxymethylene dimethyl ethers from formaldehyde and dimethoxymethane by the coupling of extraction and catalytic reaction	22
Liquid bridge solidification between two rods with curved caps	22
Modeling of tubular membrane contactors for ozonation of water reveals reduced bromate formation with static mixers	22
Increasing the efficiency of microreactors utilizing two-phase hydrodynamic focusing	22
Modelling for effects of surface chemical composition on contact angle and applications in membrane flux control	22
A rigorous surface renewal model for transient gas absorption with first-order chemical reaction in a stirred liquid	22
Lean premixed combustion of methane-air in a novel preheated miniature combustor with a flame holder and porous medium	22
Computer-aided design of initiator utilization strategies for vinyl chloride suspension polymerization with constant reaction rate	21
Radial distribution characteristics of droplet size and velocity in annular mist flow around the bluff body	21
K2SO4-promoted TiO2 for the efficient oxidative coupling of methane	21
Unlocking ethane production in photocatalytic methanol reforming based on a novel carbon–carbon coupling mechanism	21
Facile synthesis of nano-Ag decorated Nb2O5 on the 3D graphene framework for high-performance lithium storage	21
Lattice-Boltzmann simulation of Two-phase flow in carbonate porous media retrieved from computed Microtomography	21
Residual mass prediction of powder discharged from hopper at non-gravity directions	21
Ammonia-regulated dynamic evolution of Ti precursor incorporating into dealuminized beta for efficient 1-Hexene epoxidation	21
On-the-fly H2 degassing: Towards selective borohydride reduction of α, β-unsaturated esters to allylic alcohols in continuous microflow	21
Exploring bioenergy potential and thermal behavior of Elephant grass cultivated with treated microalgae wastewater for advanced pyrolytic products	21
A mesoscale model for heterogeneous reactions in porous media applied to reducing porous iron oxide	21
Biphasic gas–liquid millifluidic system for carbon dioxide plasma chemistry: Application to controlled selective epoxidation	21
Synthesis and characterization of energetic molecules based on pyrimidine rings: Selection and verification of computational-assisted synthesis pathways	21
A computational-fluid-dynamics model for particle-size evolution in the presence of turbulent mixing	21
Mapping of cavitation intensity in a novel dual-frequency ultrasonic reactor of capacity 10 L	21
In-situ wet milling for particle size control in continuous crystallization: Expanding the attainable region	21
Optimization of automated anodizing plant efficiency and process prediction using Random Forest based Levy flight method	21
Intrapore water–gas shift reaction inhibits coal gasification in supercritical water	21
Potassium promoter regulates electronic structure and hydrogen spillover of ultrasmall Ru nanoclusters catalyst for ammonia synthesis	21
Collision dependent silver nucleation regulated by chemical diffusion and reaction	21
Numerical investigation of non-Newtonian droplet collisions: Comparison of volume of fluid and the local front reconstruction method with experimental data	21
Unraveling weak interactions between fluorinated gases and ionic liquids	21
Sonication pre-treatment for the intensified synthesis of tricaproin using acid-resin catalyst	21
Optimization of exergy destruction minimization in moving bed heat exchanger with airflow-assisted cooling	21
Unraveling the transition of ZIF-67-on-ZIF-8 core–shell structured dodecahedron formed by an oriented attachment mechanism from type II to step-scheme for enhanced photocatalytic degradation of oxytet	21