AIChE Journal

Article	Citations
Whither chemical engineering?	67
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An experimental flow regime map to dynamically structure gas–solid bubbling fluidized beds	53
Robust bilayer Ni–Sb–SnO2 combined with continuous flow stacked electrolyzer for electrochemical ozone production	52
Integrating process and power grid models for optimal design and demand response operation of giga‐scale green hydrogen	51
Use of 300,000 pseudo‐experimental data over 1800 pure fluids to assess the performance of four cubic equations of state: SRK, PR, tc‐RK, and tc‐PR<	50
Improved graph‐based multitask learning model with sparse sharing for quantitative structure–property relationship prediction of drug molecules	50
Robust distributed economic model predictive control based on differential dissipativity	50
Multivariate alarm systems to recognize rare unpostulated abnormal events	48
The kinetics modeling and reactor simulation of propylene chlorination reaction process	48
Decoupling gaseous hydrogen production from liquid water using a magnetic‐photo‐thermal coupling reactor	46
Mechanism and kinetics of self‐sensitized photocycloaddition of cyclohexenone and norbornene	46
Integrated metal–organic framework and pressure/vacuum swing adsorption process design: Descriptor optimization	44
Effect of initial conditions on promotion and inhibition of breakup during filament contraction	41
Diffusion coefficient analysis method using data statistical processing to reduce interference fringe noise effects	40
Founders Issue honoring Tunde Ogunnaike	40
Optimal operation of heat exchanger networks through energy flow redistribution	38
Artificial lift infrastructure planning of shale gas horizontal wells considering endogenous and exogenous uncertainties	38
Issue Information – Table of Contents	37
Investigating liquid‐fronts during spontaneous imbibition of liquids in industrial wicks. Part II: Validation by DNS	36
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Obtaining model parameters of drying kinetics for highly shrinkable materials without knowing the surface area a priori	35
Issue Information ‐ Table of Contents	34
Performance of limestone‐based sorbent for sorption‐enhanced gasification in dual interconnected fluidized bed reactors	34

Enhancement of separation performance for ofloxacin enantiomers by a biphasic recognition chiral extraction system	33
Ion injection bipolar membrane electrodialysis realizes over 8 mol/L NaOH conversion from a brine stream	32
Hydrodynamics of bubble flow through a porous medium with applications to packed bed reactors	32
Modeling multicomponent wax deposition and aging on cold surfaces with application to pipeline fouling	31
Efficient acid/alkali recovery enabled by only one negatively charged microporous polymer membrane	30
Study on the reaction mechanism of SO2 hydrogenation over Mo‐based catalyst	29
ZSM‐5 zeolite incorporated flow battery membranes with regulated pore channels for high proton conduction	29
Breaking the scaling relationship via lattice expansion of Ag for CO2 electroreduction over a wide potential window	29
Porous washcoat structure in CeO2 modified Cu‐SSZ‐13 monolith catalyst for NH3‐SCR with improved catalytic performance	28
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Anti‐nonspecific adsorption segments‐assisted self‐driven surface imprinted fibers for efficient protein separation	28
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Enhancing electrocatalytic N2 reduction via tailoring the electric double layers	27
Data‐driven plant‐model mismatch quantification in closed‐loop system based on output predictions	27
Comments on “Semi‐analytical nanoscale‐extended surface tension correlation”	27
A new approach for modeling adsorption kinetics and transport of methane and carbon dioxide in shale	27
Issue Information – Table of Contents	26
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Unveiling the potential of MXenes for H2 purification and CO2 capture as an emerging family of nanomaterials	25
Shape‐size sieving of trans‐ and cis‐piperylene isomers with gallate‐based metal‐organic frameworks	25
Issue Information	25
Janus particle amphiphilicity and capillary interactions at a fluid interface	25
Experimental and computational design tools for industrial drying processes: Challenges in process‐limit prediction	25
Two‐scale continuum model for simulation of acid fracturing in carbonate reservoirs with two main mineral components	24
An efficient method for spatiotemporally resolved aerosol flow modeling: Discrete migration and GPU acceleration	24
Evaluating the demand response potential of ammonia plants	24
Lanthanum induced lattice strain improves hydrogen sulfide capacities of copper oxide adsorbents	24
Simulation of mass transfer and kinetics during double‐network formation using a heterogeneous model	24
De‐carboxylation of cross‐linkable triptycene‐based polyimides for CO2 separation	24
Fabrication of stable and selective non‐noble metal catalysts for selective alkyne hydrogenation	24
Droplet microfluidic networks as hybrid dynamical systems: Inlet spacing optimization for sorting of drops	23
Quantitatively evaluating activity and number of catalytic sites on metal oxide for ammonium perchlorate decomposition	23
Chirality enhanced shear‐free mixing of highly viscous fluids in an origami reactor	23
Structural and quantitative evolution of organic matters in oil shale during two different retorting processes	22
Data‐driven modeling of mesoscale solids stress closures for filtered two‐fluid model in gas–particle flows	22
Experimental study and numerical modeling of mixing by air injection in yield stress fluids using the OpenFOAM software	22
A novel IL/MOF nanocomposite tailored for trace SO2 efficient capture based on synergistic effects	22
HybridPDE‐kMCmodeling approach to simulate multivalent lectin‐glycan binding process	22
Separation of vanadium and tungsten in roasting‐acid leaching solutions of the spent selective catalytic reducing denitration catalyst by co‐extraction using hydroxyoxime extractant‐quaternary ammoniu	22
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Minimum reflux calculation for multicomponent distillation in multi‐feed, multi‐product columns: Mathematical model	21
Multilevel screening of computation‐ready, experimental metal‐organic frameworks for natural gas purification	21
Editorial	21
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Froth stability and entrainment evaluation of a novel frother for KCl/NaCl flotation	21
Dissolution of urea phosphate: A kinetic and thermodynamic study by solution calorimetry	21
Prediction of ionic liquid surface tension via a generalized interpretable Structure‐Surface Tension Relationship model	20
Synthesis of hierarchical ZSM‐5 microspheres with superior performance for catalytic methanol‐to‐olefin conversion	20
Multiscale screening of metal‐organic frameworks for one‐step ethylene purification in pressure‐swing adsorption processes	20
Distributed state estimation from infrequent and delayed measurements in large‐scale processes	20

Post‐synthesis amination of polymer of intrinsic microporosity membranes for CO2 separation	20
A novel model for tracking copolymerization kinetics: Sequence structure quality evaluation	20
Unraveling the relationship between microstructure of CMS membrane and gas transport property using molecular simulation	20
Artificial neural network based model predictive control: Implementing achievable set‐points	20
A vanadium phosphorus oxide catalyst synthesized in rotating packed bed for high‐efficiency selective oxidation of n‐butane	20
Tuning FeO covalency boosts catalytic ozonation over spinel oxide for chemical industrial wastewater decontamination	20
Kinetics simulation of propylene epoxidation over different Ti species in TS‐1	19
On the role of the macroscopic deformation in liquid film drainage between bubbles	19
Stability and kinetics of iron‐terephthalate MOFs with diverse structures in aqueous pollutant degradation	19
Phase behavior of sodium and potassium salts in their aqueous solutions: Experiment and computational thermodynamics	19
Multivariate statistical data analysis of cell‐free protein synthesis toward monitoring and control	19
Formulating noncovalent interactions to predict structural transition in mixed guest hydrates	19
A polydisperse model for thixotropic elasto‐viscoplastic suspensions of aggregating particles using population balances	19
Modeling and optimization of flow distribution in multistage pipe distributors	19
A chemical engineer's take of COVID‐19 epidemiology	18
Issue Information ‐ Table of Contents	18
Molecular dissolution behaviors on porous membrane surface using hierarchical metal–organic framework lamellar membrane	18
Direct ink write 3D printing of high solids loading bimodal distributions of particles	18
Statistical kinetic modeling procedure for cationic polymerization and its application to polyisobutylene	18
Drift‐flux model for gas–liquid flow subjected to centrifugal fields	18
Ternary fluid lattice Boltzmann simulation of dynamic interfacial tension induced by mixing inside microdroplets	18
A model of bubble coalescence in the presence of a nonionic surfactant with a low bubble approach velocity	18
Insight into catalytic cracking pathways of n‐pentane over bifunctional catalysts to produce light olefins	18
Nonlinear model predictive control for distributed parameter systems by time–space‐coupled model reduction	18
Elucidating mechanism of ethylbenzene oxidation catalyzed by carbon‐based catalysts with kinetic modeling	18
Large‐area vacuum‐treated ZIF‐8 mixed‐matrix membrane for highly efficient methane/nitrogen separation	17
A surrogate‐based framework for feasibility‐driven optimization of expensive simulations	17
Boosting ammonia synthesis over molybdenum nitride through nickel‐mediated nitrogen activation and hydrogen transfer	17
Carbonic anhydrase textile structured packing for efficient CO2 absorption in methyldiethanolamine solvent	17
Cu/LaFeO3 as an efficient and stable catalyst for CO2 reduction: Exploring synergistic effect between Cu and LaFeO3	17
Performance and mechanism of the separation of C8 α‐olefin from F‐T synthesis products using novel Ag‐DES	17
An experimental/computational study of steric hindrance effects on CO2 absorption in (non)aqueous amine solutions	17
Solvent‐free gas‐phase epoxidation of propylene in fluidized bed reactor	17
Multiphysics modeling of proton exchange membrane water electrolysis: From steady to dynamic behavior	17
New data sharing requirements for AIChE Journal authors	17
A generalized cutting‐set approach for nonlinear robust optimization in process systems engineering	16
Data‐driven prediction and optimization of liquid wettability of an initiated chemical vapor deposition‐produced fluoropolymer	16
Chaotic advection and mass transfer of viscous liquid–liquid flows in a novel 3D serpentine microchannel	16
Impinging jet mixers: A review of their mixing characteristics, performance considerations, and applications	16
Drop breakage in a single‐pass through vortex‐based cavitation device: Experiments and modeling	16
Flexible distillation test rig on a laboratory scale for characterization of additively manufactured packings	16
Global optimization for large‐scale water network synthesis based on dynamic partition and adaptive bound tightening	16
Activity of bimetallic PdIn/CeO2 catalysts tuned by thermal reduction for improving methanol synthesis via CO2 hydrogenation	16
A molecular kinetic model incorporating catalyst acidity for hydrocarbon catalytic cracking	16
Fluorescent imaging agents for mapping temperature field and capillary flow on the surface of volatile solvent	16
A CFD‐based manifold design methodology for large‐scale PEM fuel cell stacks	16
Three‐step integrated process for isolation and purification of impurities in drug substance by recycling chromatography	16
Optimal nanocone geometry for water flow	15
Bipolar membrane electrodialysis with isolation chamber enables high‐purity LiOH production with ordinary membranes	15
Vapor‐phase polymerization of high‐performance thin‐film composite membranes for nanofiltration	15
CoN graphene encapsulated cobalt catalyst for H2O2 decomposition under acidic conditions	15
Thermodynamic‐kinetic synergistic separation of CH4/N2 on a robust aluminum‐based metal‐organic framework	15
A systematic approach to defining a unit cell for fluid dynamics in packed beds with low tube‐to‐particle diameter ratio	15
Thermal performance of bio‐nanofluid dihydrolevoglucosenone: Experimental and atomistic simulation investigations	15
Channel–molecule attraction mediated molecule transport in confined nanochannels of COF membranes for nanofiltration	15
Adjusting accommodation microenvironment for Cu+ to enhance oxidation inhibition for thiophene capture	15
Bubble breakup and boiling heat transfer in Y‐shaped bifurcating microchannels	15
On the inherent correlation between the fluidization and flow properties of cohesive powders	15
A multi‐region and open‐source computational fluid dynamic tool for electrochemical systems with three‐dimensional electrodes	15
Cost‐efficient modeling of distributed molar mass and topological variations in graft copolymer synthesis by upgrading the method of moments	15
Simultaneous ozone and hydrogen peroxide electrosynthesis via defect modulation in Ni, Sb‐doped SnO2 electrocatalysts	15
Predicting the diameters of droplets produced in turbulent liquid–liquid dispersion	15
Indirect urea electrooxidation by nickel(III) in alkaline medium: From kinetic and mechanism to reactor modeling	14
Hydrothermal stability of fluorine‐induced microporous silica membranes: Effect of steam treatment conditions	14
A stable metal–organic framework with well‐matched pore cavity for efficient acetylene separation	14
Multilevel surrogate modeling of an amine scrubbing process for CO2capture	14
Magnetic nanoparticle‐induced sorbent regeneration for direct air capture	14
New and simple synthetic strategy for two‐dimensional ultra‐microporous aromatic framework for selective uranium capture in liquid	14
Iodine‐modified Pt nanoparticles accelerate the hydrogenative ring‐opening of furfurals to linear alcohols	14
Ionic liquid‐induced deep grafting of polyelectrolyte to reform polyamide layer for antifouling nanofiltration membrane	14
N‐shape pressure drop curve of gas–liquid microchannel reactor and modeling	14
A decoupling strategy for protecting sensitive process information in cooperative optimization of power flow	14
Deep ocean bubble transport model coupled with multiple hydrate behavior characteristics	14
Resilience‐aware design of interconnected supply chain networks with application to water‐energy nexus	14
Continuous synthesis of 1‐ethoxy‐2,3‐difluoro‐4‐iodo‐benzene in a microreactor system and the Gaussian and computational fluid dynamics simulations	14
H2S absorption with deep eutectic solvents: Low partial pressure capture and thermodynamic analysis	14
Highly efficient two‐stage ring‐opening of epichlorohydrin with carboxylic acid in a microreaction system	14
Phase behavior of ionic fluid in charged confinement: An associating polymer density functional theory study	14
Multicut logic‐based Benders decomposition for discrete‐time scheduling and dynamic optimization of network batch plants	13
Controllable membrane damage by tunable peptide aggregation with albumin	13

Quantum chemical calculation driven insights into deep eutectic solvent‐accelerated photoinduced reversible complexation‐mediated polymerization	13
Mass transfer and electrochemical behavior of nitrate reduction to ammonia in electrocatalytic flow cell reactor	13
Magnetic resonance imaging of trickle flow	13
Numerical simulation of atomic layer deposition for thin deposit formation in a mesoporous substrate	13
High‐throughput computational screening of porous polymer networks for natural gas sweetening based on a neural network	13
Diffusion behaviors of binary mixtures of alkanes and aromatics through ZSM‐5 zeolite: A kinetic Monte Carlo study	13
Triggering flow of jammed cohesive granular materials using modulated pulsed airflow	13
Permeability and selectivity analysis for affinity‐based nanoparticle separation through nanochannels	13
Electrochemical and mechanical characterization of thermosets as fluorine‐free cathode binders for Li‐ion batteries	13
Non‐invasive mixing time estimation in unbaffled stirred tank: An ultrasonic approach	13
Stationary states of hydrogen‐producing reactions in nonequilibrium plasma	13
A prediction model for the critical gas velocity and pressure gradient of continuous liquid‐carrying in inclined pipes	13
Dual pore‐size sieving in a novel oxygenate‐pillared microporous adsorbent for C6 alkane isomers separation	13
Mesoporous coordinated polymers with single‐metal‐site iridium for efficient catalysis in propylene hydroformylation	13
Selective electrooxidation glycerol to lactic acid coupled with hydrogen production over a cooperative BiOx/Au catalyst	13
A mathematical modeling approach for supply chain management under disruption and operational uncertainty	13
Inference of reaction kinetics for supercritical water heavy oil upgrading with a two‐phase stirred reactor model	13
Atomic decoration of Pt on Co nanoparticles for enhanced oxidative esterification performances	13
Plasma‐driven CO2 hydrogenation to CH3OH over Fe2O3/γ‐Al2O3 catalyst	13
Metal–organic framework membranes: Unprecedented opportunities for gas separations	13
Partial least squares, steepest descent, and conjugate gradient for regularized predictive modeling	13
Capillary‐bridge forces between solid particles: Insights from lattice Boltzmann simulations	13
Porosity engineering of biochar‐based single‐atom Ni catalysts to promote CO2 electroreduction over a broad potential window	12
Liquid–liquid interface induced PDMS‐PTFE composite membrane for ethanol perm‐selective pervaporation	12
The refinery of today, tomorrow, and the future: A separations perspective	12
Blackened calcium‐based composite particles and their apparent kinetics features for solar thermochemical energy storage	12
Optimizing supramolecular interactions within metal–organic frameworks for ultra‐high purity propylene purification	12
A hybrid science‐guided machine learning approach for modeling chemical processes: A review	12
The role of ion‐membrane interactions in fast and selective mono/multivalent ion separation with hierarchical nanochannels	12
The d‐band energy level splitting of ferric group (Fe, Co, Ni) metals drives the adsorption‐conversion of polysulfides	12
Modeling Fischer–Tropsch kinetics and product distribution over a cobalt catalyst	12
Numerical analysis of frictional charging and electrostatic interaction of particles	12
A Benders decomposition framework for the optimization of disjunctive superstructures with ordered discrete decisions	12
Surface phase transformation of ZrO2 in VOx/ZrO2 catalysts for boosting propane nonoxidative dehydrogenation	12
Statistical machine‐learning–based predictive control of uncertain nonlinear processes	12
Anchoring hydroxyl intermediate on NiCo(OOH)x nanosheets to enable highly efficient electrooxidation of benzyl alcohols	12
Unlocking electrodialysis efficiency with spacer mesh geometry and material conductivity via finite element analysis	12
Enhancing HER catalyst screening of modified MXenes through DFT and machine learning integration	12
One‐step thermal processing of BaCe0.8Y0.2O3−δ hydrogen perme	12
Prediction of infinite‐dilution activity coefficients with neural collaborative filtering	12
Latent vector autoregressive modeling and feature analysis of high dimensional and noisy data from dynamic systems	12
Design space description through adaptive sampling and symbolic computation	12
MOF‐derived bimetallic NiCo nanoalloys for the hydrogenation of biomass‐derived levulinic acid to γ‐valerolactone	12
Kinetic study in an automatic continuous‐flow photochemical platform with machine learning	12
Highly selective deep eutectic solvents for the recovery of lithium from high sodium concentration aqueous solutions	12
Hydrogen, a versatile chemical for the future: Applications and production methods	12
Adsorption weakening mechanism and regulation strategy of aluminum‐based lithium adsorbents in carbonate‐style brines	12
Noise aware parameter estimation in bioprocesses: Using neural network surrogate models with nonuniform data sampling	12
Experiment and a catalyst acid property‐included global reaction modeling for catalytic pyrolysis of 1‐pentene	11
Novel amino acid ionic liquids prepared via one‐step lactam hydrolysis for the highly efficient capture of CO2	11
Effect of liquid bridge evolution on the droplet non‐coalescence under a DC electric field	11
Highly efficient capture of CO2 through the synergy of intramolecular amines within piperazine‐derived alcoholamines	11
Synergistic promotions of K doping on CO2 capture and in situ conversion	11
Electron‐deficient covalent organic frameworks anchored on melamine sponges for visible‐light‐driven H2O2 evolution	11
A density functional theory insight into the extraction mechanism of lithium recovery from alkaline brine by β‐diketones	11
Synergistic electronic and geometric effects of Au/CeO2 catalyst for oxidative esterification of methacrolein	11
Computational investigation of metal organic frameworks as potential drug carriers for antihypertensive amlodipine	11
Ionic liquid binary mixtures: Machine learning‐assisted modeling, solvent tailoring, process design, and optimization	11
Pt–calcium cobaltate enables sorption‐enhanced steam reforming of glycerol coupled with chemical‐looping CH4 combustion	11
Circulating jet for enhancing the mass transfer in a gas–liquid stirred tank reactor	11
Concentrated formate produced through co‐electrolysis of CO2 and methanol in a zero‐gap electrolyzer	11
Pervaporation via silicon‐based membranes: Correlation and prediction of performance in pervaporation and gas permeation	11
Nonlinear model predictive control for dividing wall columns	11
Separation of methane and nitrogen using ionic liquidic zeolites by pressure vacuum swing adsorption	11
A consecutive‐competitive reaction system for assessing homogeneous and heterogeneous liquid–liquid mixing efficiency	11
Breakdown of polyethylene therepthalate microplastics under saltwater conditions using engineered Vibrio natriegens	11
Ultramicroporous carbon granules with narrow pore size distribution for efficient CH4 separation from coal‐bed gases	11
Application of offset‐free Koopman‐based model predictive control to a batch pulp digester	11
Designing and screening single‐atom alloy catalysts for CO2 reduction to CH3OH via DFT and machine learning	11
Process safety 4.0: Artificial intelligence or intelligence augmentation for safer process operation?	11
Adsorption of methyl iodide on reduced silver‐functionalized silica aerogel: Kinetics and modeling	11
Reconstruction of large‐scale flow structures in a stirred tank from limited sensor data	11
Design and operation of an enhanced pervaporation device with static mixers	11
Integration of reinforcement learning and model predictive control to optimize semi‐batch bioreactor	11
Group contribution‐based LCA models to enable screening for environmentally benign novel chemicals in CAMD applications	11
Issue Information – Table of Contents	10
The formation and growth model of a CO2 hydrate layer based on molecular dynamics	10
A computational fluid dynamics‐based method to investigate and optimize novel liquid distributor	10
Enhanced catalytic performance of H2SO4‐catalyzed C4 alkylation by formyl functional [N1,1,1,1][C10SO4	10
Data‐driven decision‐focused surrogate modeling	10
Molecular dynamics simulation on the structure–activity relationship between the Gemini surfactant and foam properties	10
Polymeric ionic liquid absorbents for n‐butanol recovery from aqueous solution	10
T–x diagrams for the CO2–H2O system: The importance of water content in CO2 transportation for carbon capture and storage	10
Acceleration of thermal decomposition of molten nitrates by Cr in steel and promotion of this effect by halogens	10
Metal–organic framework membranes: Unprecedented opportunities for gas separations	10
Machine learning enabled integrated formulation and process design framework for a pharmaceutical 3D printing platform	10
Separation of α‐ketoglutaric acid by salting‐out extraction coupled with solar‐driven distillation	10
Process coupling of CO2 and glycerol comprehensive utilization based on anionic 2D nanomaterial	10
The influence of random packed column parameters on the liquid holdup and interfacial area	10
Flame synthesis of tungsten‐doped titanium‐dioxide nanoparticles using novel precursor combination of liquid titanium tetra‐isopropoxide and solid tungsten mesh	10
Multi‐objective design optimization of microreactor arrays for distributed renewable energy conversion: A case study	10
Concentration dependency of dispersion coefficient of aqueous solutions of urea and ethyl acetate in porous media	10
Review on key issues of an axial gas–liquid separator for ultralow gas content	10
Confining organic cations in metal organic framework allows molecular level regulation of CO2 capture	10
Pressure‐controlled secondary flows and mixing in sheared Platonic solid‐shaped particles	10