AIChE Journal

Article	Citations
Flow reorganization in cohesive granular materials induced by pulsed aeration	114
Prediction of infinite‐dilution activity coefficients with neural collaborative filtering	70
Ionic liquid binary mixtures: Machine learning‐assisted modeling, solvent tailoring, process design, and optimization	59
Evaluating the demand response potential of ammonia plants	58
Deep ocean bubble transport model coupled with multiple hydrate behavior characteristics	57
Vapor‐liquid interfacial properties of binary mixtures from molecular simulation and density gradient theory	57
Manipulating bimetal structure of CuCo at mesoscale via topological transformation of layered double hydroxides	57
Tailoring bubble size through acoustic‐assisted microbubble generation	56
A novel approach to intensify fluid mixing by introducing a “pre‐cavitation” stage in an ultrasonic microreactor	55
Efficient in situ cell modeling boosts catalytic microkinetics quantification by transient infrared spectroscopy	54
Chlorine‐dopant dynamically stabilizes Cu0/Cu+ active sites for selective CO2 electroreduction to multicarbon products	52
Nonlinear model predictive control for dividing wall columns	50
A Benders decomposition framework for the optimization of disjunctive superstructures with ordered discrete decisions	50
Mesoporous coordinated polymers with single‐metal‐site iridium for efficient catalysis in propylene hydroformylation	44
Kinetic study in an automatic continuous‐flow photochemical platform with machine learning	43
Converting metal–organic polyhedra to Pd single atoms on graphene for efficient selective semi‐hydrogenation of alkynes	43
New and simple synthetic strategy for two‐dimensional ultra‐microporous aromatic framework for selective uranium capture in liquid	42
An experimental/computational study of steric hindrance effects on CO2 absorption in (non)aqueous amine solutions	41
Droplet microfluidic networks as hybrid dynamical systems: Inlet spacing optimization for sorting of drops	40
A surrogate‐based framework for feasibility‐driven optimization of expensive simulations	40
A CFD study of the effect of ridge baffles on the hydrodynamic behavior in gas–solid fluidized system	40
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A molecular kinetic model incorporating catalyst acidity for hydrocarbon catalytic cracking	39
Founders Issue honoring Tunde Ogunnaike	38
Activity of bimetallic PdIn/CeO2 catalysts tuned by thermal reduction for improving methanol synthesis via CO2 hydrogenation	37

Quantum chemical calculation driven insights into deep eutectic solvent‐accelerated photoinduced reversible complexation‐mediated polymerization	37
Statistical kinetic modeling procedure for cationic polymerization and its application to polyisobutylene	37
Efficient use of imprinted nanocatalytic particles: Development and application of targeted catalytic membranes	37
Anti‐nonspecific adsorption segments‐assisted self‐driven surface imprinted fibers for efficient protein separation	37
Experimental and molecular thermodynamics insights into separating bicyclic aromatics from diesel oil with ionic liquids	36
Chaotic advection and mass transfer of viscous liquid–liquid flows in a novel 3D serpentine microchannel	36
New data sharing requirements for AIChE Journal authors	36
Experiment and a catalyst acid property‐included global reaction modeling for catalytic pyrolysis of 1‐pentene	36
Modeling multicomponent wax deposition and aging on cold surfaces with application to pipeline fouling	36
Formulating noncovalent interactions to predict structural transition in mixed guest hydrates	35
Simultaneous ozone and hydrogen peroxide electrosynthesis via defect modulation in Ni, Sb‐doped SnO2 electrocatalysts	34
Multiscale screening of metal‐organic frameworks for one‐step ethylene purification in pressure‐swing adsorption processes	34
CoN graphene encapsulated cobalt catalyst for H2O2 decomposition under acidic conditions	33
Subsurface Ce dopants in Bi2MoO6 monolayers as promoters for photocatalytic C‐N coupling reaction	33
Obtaining model parameters of drying kinetics for highly shrinkable materials without knowing the surface area a priori	33
An efficient method for spatiotemporally resolved aerosol flow modeling: Discrete migration and GPU acceleration	33
Electron‐deficient covalent organic frameworks anchored on melamine sponges for visible‐light‐driven H2O2 evolution	32
Partial least squares, steepest descent, and conjugate gradient for regularized predictive modeling	32
Anchoring hydroxyl intermediate on NiCo(OOH)x nanosheets to enable highly efficient electrooxidation of benzyl alcohols	32
Whither chemical engineering?	32
Correction to “High‐temperature molecular dynamics simulation of cellobiose and maltose”	31
β‐Cyclodextrin modified deep eutectic solvent for recovering valuable metals from retired lithium batteries	31
Ion injection bipolar membrane electrodialysis realizes over 8 mol/L NaOH conversion from a brine stream	30
The role of hydrogen‐bond in solubilizing drugs by ionic liquids: A molecular dynamics and density functional theory study	29
The influence of random packed column parameters on the liquid holdup and interfacial area	29
Selective hydrodeoxygenation of lignin to 4‐ethylcyclohexanol catalyzed by Cu–Ni/MgCrOx spinel	29
Balancing acetylene and hydrogen chloride adsorption through gold‐copper‐nickel synergistic interactions for enhanced acetylene hydrochlorination	29
Predicting initiator efficiency in high‐pressure polymerization with decomposition network and diffusion dynamics	29
Chelation‐activated multiple‐site reversible chemical absorption of ammonia in ionic liquids	29
Maltose hydrogenation to maltitol over industrial Raney Ni catalyst: Kinetics and mechanism	28
Synergistic SO2 absorption in N‐methyl ethanolamine/thiocyanate blends: Thermodynamic insights and energy optimization	28
Experimental study on breakup of a single bubble in a stirred tank: Effect of gas density and liquid properties	28
Machine learning enabled integrated formulation and process design framework for a pharmaceutical 3D printing platform	28
Development of enhanced three‐dimensional printed packings for scale‐up of distillation columns: A successful case study	28
Numerical study on the hydrodynamics of highly viscous liquid under vertical acoustic vibration	27
Multiscale numerical simulation of the evolution of SiO 2 nanoparticles	27
Machine learning boosted eutectic solvent design for CO2 capture with experimental validation	26
Mass transfer to a nanoelectrocatalyst	26
Development and validation of a controlled heating apparatus for long‐term MRI of 3D microfluidic tumor models	26
Insight into the complex ammonia decomposition/oxidation kinetics in ammonia protonic ceramic fuel cells via elementary modeling	26
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Development of a procedure for defining the operation window of annular centrifugal contactors	25
Mechanism and kinetics study of the chemically initiated oxidative polymerization of hexafluoropropylene	25
Acid–base transport model depicting the dynamic pH response of interfacial reactions	25
Anion‐based regulating mechanism of structural and diffusive property of ionic liquids	25
Numerical simulation of jet break‐up using the local front reconstruction method	25
Issue Information ‐ Table of Contents	25
Simulation analysis of biomass pyrolysis based on the improved chemical percolation devolatilization model with chain reaction dynamics	25
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Tailoring crystal facet microenvironments for simultaneous electrochemical ozone and hydrogen peroxide production	24

Proton exchange membrane water electrolysis at high current densities: Response time and gas‐water distribution	24
Experimental and molecular insights on the regulatory effects of solvent on CaC2 reaction activity	24
Enhanced catalytic performance of H2SO4‐catalyzed C4 alkylation by formyl functional [N1,1,1,1][C10SO4	24
Quantifying molecular surface barriers and intracrystalline diffusion in nanoporous materials by zero‐length column	24
Prediction of CO2 solubility in ionic liquids via convolutional autoencoder based on molecular structure encoding	24
Issue Information – Table of Contents	24
Flexible design of renewable methanol production systems based on regulation strategy of operating windows	23
Cavitation behavior and mixing performance of antisolvent precipitation process in an ultrasonic micromixer	23
Gas–liquid mass transfer enhancement by simply modifying a T‐junction microchannel	23
Data‐driven parallel Koopman subsystem modeling and distributed moving horizon state estimation for large‐scale nonlinear processes	23
Thermal effect optimization endows a selective and stable PdCu single atom alloy catalyst for acetylene hydrogenation	23
Design of shell and tube heat exchangers considering the interaction of fouling and hydraulics	23
Coupling coarse‐grained DEM‐CFD and intraparticle model for biomass fast pyrolysis simulation and experiment validation	23
Enhancing lithium extraction with π‐electron donor‐based ionic liquids: Molecular thermodynamics and dynamic insights	23
Parameter estimation and prediction uncertainties for multi‐response kinetic models with uncertain inputs	23
Intensified reactor for lean methane emissions treatment	23
An integrated chemical engineering approach to understanding microplastics	23
Coupling hydrothermal liquefaction and aqueous phase reforming for integrated production of biocrude and renewable H2	23
Phase coexistence in fluidization	23
Lanthanide contraction effect of PdPr nanosheets boosting PET electrocatalytic value‐added conversion	23
Impacts of packed bed polydispersity and deformation on fine particle transport	23
Determining robust reaction kinetics from limited data	23
Influence of particle z‐potential and experimental procedure on protein corona formation and multicomponent aggregation	22
Property of waste bottle‐grade polyethylene terephthalate restored by Ti‐based catalysts	22
Shortcut design method for multicomponent gradient simulated moving beds	22
Hindered cracking in colloidal suspension coatings via evaporation‐driven lyotropic liquid crystals	22
A compact heat recirculating spiral geometry for thermal integration for Sabatier reaction in microreactor	22
Kinetics of low‐temperature catalytic combustion of ethylene at wet conditions for postharvest storage applications	22
Population balance modeling of polyurethane foam formation with pressure‐dependent growth kernel	22
Polysorbate identity and quantity dictate the extensional flow properties of protein‐excipient solutions	21
Construction and shaping of polyoxometalate‐based covalent organic framework for boosting one‐pot CO2 conversion	21
Selectively enriching accessible quantum sieving sites in two‐dimensional carbons for D2/H2 kinetic separation	21
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Primary breakup of shear‐thickening suspension jet by an annular air jet	21
MRI on ion exchange resins at different length scales	21
Safe model‐based reinforcement learning for nonlinear optimal control with state and input constraints	21
The effect of the embedded interface dynamics on mass transport in immiscible polymer blends	21
The overall‐process dynamic mass transfer research of surfactant at the three‐phase emulsions interface	21
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Magnetic Fe‐Ni bimetallic oxide shell nanorods containing anti‐protein polymer segments for protein purification	21
Mechanism and kinetics investigation of reaction network: 1,3‐Dichloro‐2‐propanol with alkali to prepare epichlorohydrin	20
Surfactant‐modified electrode–electrolyte interface for steering CO2 electrolysis on Cu electrodes	20
Experimental study on the differences between bubble and drop breakages in agitated turbulent flows	20
The effect of axial impeller geometry on the link between power and flow numbers	20
Enhancing Bacillus licheniformis sporulation with automatic nitrogen feeding based on online detection of exhaust CO2	20
Constructing grain boundary to stabilize Cu0/Cu+ interfacial sites for efficient CO2 reduction reaction	20
Robust generation of monodisperse droplets using a microfluidic step emulsification device with triangular nozzle	20
3D models guide the design of hollow fiber membrane contactors with complex internal structures for CO2 capture	20
Improving wet scrubber efficiency using fiber‐guided drops	20
Optimizing particle morphology: Atomic iron–nitrogen centers with graphitic‐N for highly efficient CO2 electroreduction	20
Prediction of Henry's law constants by matrix completion	20
Chemisorption of CO2 in a gas–liquid vortex reactor: An interphase mass transfer efficiency assessment	20
Bimetallic synergistic effect of Co and Fe for the highly efficient catalytic decomposition of ozone	19
Concentration polarization on surface patterned membranes	19
Machine learning‐aided process design using limited experimental data: A microwave‐assisted ammonia synthesis case study	19
Electrified distillation with flash vapor circulation and thermal storage for dynamic electricity markets	19
A functionalized zwitterionic PAN fiber membrane with enhanced antifouling for stable emulsion separation	19
Propane dehydrogenation on Ir single‐atom catalyst modified by atomically dispersed Sn promoters in silicalite‐1 zeolite	19
Numerical study of biomass gasification combined with CO2 absorption in a bubbling fluidized bed	19
Simulation and optimization of the thermally coupled reactive distillation column for producing toluene diisocynate	19
Synergy of carbanion siting and hydrogen bonding in super‐nucleophilic deep eutectic solvents for efficient CO2 capture	19
Demand response potential of industrial processes considering uncertain short‐term electricity prices	19
Thinning dynamics of the liquid thread at different stages in a rectangular cross junction	19
Digital design and optimization of the integrated synthesis and crystallization process using data‐driven approaches	19
Model‐based control of titer and glycosylation in fed‐batch mAb production: Modeling and control system development	19
Mass transfer behavior of methane in porous carbon materials	19
Dynamic optimization of proton exchange membrane water electrolyzers considering usage‐based degradation	19
Extruded monoliths for gas separation processes: Height equivalent to a theoretical plate and pressure drop correlations	19
Oxygen‐vacancy‐driven Ni catalyst enables energy‐efficient industrial methanation at low temperatures	19
Reactive simulation of an industrial‐scale FCC reaction‐regeneration full loop system	18
Digital supply chain: An industrial perspective	18
Characterizing binary droplet collisions of power‐law fluids	18
Elucidating dechlorination of waste polyvinyl chloride under high‐temperature catalytic hydrothermal treatment	18
Mapping uncertainty using differentiable programming	18
An environmental corrected descriptor based on d‐orbital spin states for atomically dispersed dual‐metal catalysts	18
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Marangoni effect on hydrodynamics and mass transfer behavior in an internal loop airlift reactor under elevated pressure	18
Intensification of diethyl methylphosphite synthesis based on kinetics study and CFD modeling	18
Comparison of in situ and ex situ electrolytic hydrogen supply for electricity‐driven single‐cell protein production	18
Extended moving horizon estimation for chemical processes under non‐Gaussian noises	18

Experimental verification of the additivity between the barrel droplet's drag force and the fiber number	18
The contact angle and structure of water on the graphite‐like substrate: A classical density functional approach	18
Synergistic plasmon resonance hybridization of iron‐dispersed MoO3−x/MXene for enhanced nitrogen photothermal reduction	17
First principle based rate equation (1pRE) for random pore model in Fe2O3 reduction reaction with CO	17
Facet‐regulated local coordination of oxygen species on MgO for efficient cycloaddition of CO2 with propylene oxide	17
Shear‐driven process intensification: Ultrafast alkaline hydrolysis of waste PET to high‐value metal–organic frameworks	17
Innovative packed‐bed ion‐distillation for direct lithium extraction	17
Mapping the path to a net‐zero chemicals industry by long‐term planning with changes in technologies and climate	17
Physically hybrid Zr(OH)4 + CuO catalyzed selective aniline oxidation: A new Ph‐N˙OH mediated mechanism	17
Molecular‐level insight on CO2 electroreduction to formate facilitated by triazole ionic liquid interfacial microhabitat	17
Cold sintering of perovskite‐based mixed conducting membrane for oxygen separation	17
Editorial: The fourth “Futures” issue	17
Experiments on floating bed rotating drums using magnetic particle tracking	17
Optimal retrofitting of conventional oil refinery into sustainable bio‐refinery under uncertainty	17
Issue Information ‐ Table of Contents	17
Colorful phase change material with intrinsic flexibility for personal thermal management	17
Computer‐aided ionic liquids design and molecular insight for chloromethane dehydration	17
A superstructure‐based optimization model for Polyethylene furandicarboxylate production	17
Atomic size mismatch induced consecutive compressive strain on intermetallic compound towards boosted hydrogen evolution	17
Ultra‐deep desulfurization of mercaptan by cyclic selective adsorption‐reactive regeneration at room temperature	17
Gas hydrates in future food production: A comprehensive review of the potential of an emerging technology	17
Science‐guided data analytics for selecting ionic liquid solvents for aromatic extraction	16
Synthesis of Ni‐Al layered double hydroxide via coprecipitation: Formation mechanism, synthesis intensification, and catalytic application	16
MOF‐801 polycrystalline membrane with sub‐10 nm polymeric assembly layer for ion sieving and flow battery storage	16
Carbon matrix anchored Rh 1 Co single‐atom alloy c	16
Engineering single‐atom equivalent trapping site for photothermal CO2 selective hydrogenation	16
Capturing the effects of particle heterogeneity on adsorption in a fixed bed	16
Experimental and molecular insights on the separation of indole from wash oil by tetraethylammonium‐based ionic liquids	16
The effect of different solvents on the formation of large‐area MOF membranes	16
Integration of machine learning and first principles models	16
Clustering in gas‐fluidized riser flows of flexible fibers	16
Assessment of hydraulic performance and fouling control caused by pulse flow in hollow fiber membrane module	16
A novel porous liquid for enhanced CO2 uptake to improve conversion efficiency	16
Engineering sodium‐decorated bifunctional Au‐Ti sites to boost molecular transfer for propene epoxidation with H2 and O2	16
Maximizing batch fermentation efficiency by constrained model‐based optimization and predictive control of adenosine triphosphate turnover	16
Robust and ultrathin pore‐filling anion exchange membranes for water electrolysis	16
Experiment and computational fluid dynamics investigation of biochar elutriation in fluidized bed	16
Particle tracking velocimetry study of the nonequilibrium characteristics of a fluidized bed	16
Toward carbon neutrality: Single‐step polyethylene upcycling to BTX using Ni‐ZSM‐5 catalyst	15
Issue Information ‐ Table of Contents	15
Self‐adaptive copper pairs on CuO(111) boosting ammonia catalytic combustion	15
Closed‐loop modeling of central and intrinsic cardiac nervous system circuits underlying cardiovascular control	15
Thermodynamic implications of size, hydrophilicity, and fluorine content on perfluoroalkyl adsorption in NU‐1000	15
Editorial	15
On mixing rules for the hydraulic permeability of fiber mixtures	15
Study of trailing vortices and impeller jet instabilities of a flat blade impeller in small‐scale reactors	15
Rational screening of metal catalysts for selective oxidation of glycerol to glyceric acid from microkinetic analysis	15
Hydrodynamic characteristics of a novel continuous countercurrent micro‐extractor	15
Capillary pumping between droplets on superhydrophobic surfaces	15
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Cake formation in the filtration of associative microgel suspensions	15
Synergistic effect of hydrogen bond donors in deep eutectic solvents on separation of dimethyl carbonate/ethanol	15
Synergistic photocatalytic synthesis of H2O2: Mechanistic insights and sustainable applications	15
Preface to the 2024 futures issue of AIChE Journal	15
Catalytic making of ethylene‐1‐hexene elastomers: Thermodynamic guide to process development	15
Novel process for selective separation of trace artemisitene from artemisinin by ammonium functional ionic liquids	15
General prediction models for void fraction and specific surface area of gas–liquid microflows	14
Anisotropic electro‐driven phase change materials inspired by biological structure	14
Engineering global regulators for enhanced tolerance to multiple inhibitors by CRISPR‐enabled trackable genome engineering	14
Direct numerical simulation of moderate‐Reynolds‐number flow past arrays of ellipsoids	14
Insight into self‐dissociation of poly(heptazine imide) nanosheets enables boosted CO2 photoreduction	14
Thermoeconomic analysis of sCO2 power cycles	14
Enhancing deuterium/hydrogen evolution performance through synergistic effects of Ni and V2O3	14
Flow electrooxidation of chiral alcohols with high enantioselectivity via integrated metal‐organic frameworks and aminoxyl radicals	14
Hierarchical porous carbon membranes for lean‐helium extraction from high‐pressure natural gas	14
Phase change composites with thermal‐formability and photothermal storage property for high flux crude oil transmission	14
Sheared settling in viscoelastic shear‐thinning fluids: Empirical studies and model development	14
Seamless scale‐up of tube‐in‐tube millireactors by annular structure and feed method design: Micromixing, residence time distribution and heat transfer	14
An effective coupling for coproducing aromatics and CO‐free hydrogen in a catalytic membrane reactor	14
A tandem electro‐thermocatalysis platform for practical hydrogen peroxide‐mediated oxygenation reactions at high rates	14
A generalized zoning framework for development of CFD‐based reduced‐order compartment models	14
A molecular kinetic model for heavy gas oil catalytic pyrolysis to light olefins	14
A multistep method for steady‐state Monte Carlo simulations of polymerization processes	14
Cracking the physical insight of power law models: Bridging the gap between macroscopic kinetics and surface coverages	14
In situDRIFTS examining the impact of indium doping on activity of CuIn/ZrO2 catalyst for CO2 hydrogenation to methanol	13
Liquid water discharge capability enhancement of hierarchical pore structure in metal foam flow field of proton exchange membrane fuel cell	13
Unveiling the interfacial polymerization for COF membranes: Real‐time monitoring of flow instability and film growth	13
Distributed manufacturing for electrified chemical processes in a microgrid	13
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A comprehensive study of the liquid transfer from the front to the back of a vertical perforated sheet	13
Electro‐kinetically enhanced mass transport of charged macro‐solutes through a microchannel with porous walls	13
Particle‐level dynamics of clusters: Experiments in a gas‐fluidized bed	13
Random forest models to predict the densities and surface tensions of deep eutectic solvents	13
Thermodynamic and molecular insights into natural gas dehydration using choline chloride‐based deep eutectic solvents	13
Co1Ni single‐atom alloy an efficient heterogeneous catalyst for amines N‐methylation using methanol	13
Continuous synthesis of atomically dispersed Rh supported on MgAl2O4 using two‐stage microreactor	13
Why is aluminum‐based lithium adsorbent ineffective in Li+ extraction from sulfate‐type brines	13
Reverse design of molecule‐process‐process networks: A case study from HEN‐ORC system	13
Molecule transfer mechanism in two‐dimensional heterostructured lamellar membranes: The effects of dissolution and diffusion	13
Optimal design of hydrogen‐blended natural gas pipeline network considering separation systems	13
Numerical simulations of particle concentration and size effects in a slurry bubble column with a CFD‐PBM coupled model	13
Weakening origin of hydrogen bond in ionic liquid at the electrified interface	13
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Multiscale simulation of plastic transformations: The case of base‐assisted dehydrochlorination of polyvinyl chloride	13