AIChE Journal

Article	Citations
Cation–dipole interaction that creates ordered ion channels in an anion exchange membrane for fastOH−conduction	64
High‐performance adsorptive desulfurization by ternary hybrid boron carbon nitride aerogel	63
Conventional anddata‐drivenmodeling of filtered drag, heat transfer, and reaction rate ingas–particleflows	55
Promoted absorption of CO at high temperature by cuprous‐based ternary deep eutectic solvents	54
A hybrid science‐guided machine learning approach for modeling chemical processes: A review	52
Taylor‐Couette reactor: Principles, design, and applications	52
Two antagonistic effects of flow/mixing on reactive polymer blending	51
Chelation‐activated multiple‐site reversible chemical absorption of ammonia in ionic liquids	50
Remarkable NH3 absorption in metal‐based deep eutectic solvents by multiple coordination and hydrogen‐bond interaction	50
Neural recommender system for the activity coefficient prediction andUNIFACmodel extension of ionicliquid‐solutesystems	49
PtZn intermetallic nanoalloy encapsulated in silicalite‐1 for propane dehydrogenation	48
In situ coupling of lignin‐derived carbon‐encapsulated CoFe‐CoxN heterojunction for oxygen evolution reaction	48
Optimal nanocone geometry for water flow	46
AI models for correlation of physical properties in system of 1DMA2P‐CO2‐H2O	46
In situ encapsulated subnanometric CoO clusters within silicalite‐1 zeolite for efficient propane dehydrogenation	46
Coupling particle scale model and SuperDEM‐CFD for multiscale simulation of biomass pyrolysis in a packed bed pyrolyzer	44
Transport phenomena in electrolyte solutions: Nonequilibrium thermodynamics and statistical mechanics	43
Coupling smartphone and CRISPR–Cas12a for digital and multiplexed nucleic acid detection	41
State of the art of ionic liquid‐modified adsorbents forCO2capture and separation	41
Machine learning modeling and predictive control of nonlinear processes using noisy data	41
Comprehensive reaction kinetics model of CO2 absorption into 1‐dimethylamino‐2‐propanol solution	40
Application of offset‐free Koopman‐based model predictive control to a batch pulp digester	40
Ion‐“distillation” for isolating lithium from lake brine	39
Operability and control in process intensification and modular design: Challenges and opportunities	38
Next generation pure component property estimation models: With and without machine learning techniques	38

Machine learning‐based atom contribution method for the prediction of surface charge density profiles and solvent design	35
Generic AI models for mass transfer coefficient prediction in amine‐based CO2 absorber, Part II: RBFNN and RF model	35
Ultramicroporous carbon granules with narrow pore size distribution for efficient CH4 separation from coal‐bed gases	34
Ultramicroporous carbons featuring sub‐Ångstrom tunable apertures for the selective separation of light hydrocarbon	34
Modular reactors with electrical resistance heating for hydrocarbon cracking and other endothermic reactions	34
Integrated ionic liquid and rate‐based absorption process design for gas separation: Global optimization using hybrid models	33
Online learning‐based predictive control of crystallization processes under batch‐to‐batch parametric drift	32
Separation ofCH4/N2by an ultra‐stable metal–organic framework with the highest breakthrough selectivity	32
Dust cloud explosion characteristics and mechanisms in MgH2‐based hydrogen storage materials	32
Waste high‐density polyethylene recycling process systems for mitigating plastic pollution through a sustainable design and synthesis paradigm	31
Integration of machine learning and first principles models	31
Structured silicalite‐1 encapsulated Ni catalyst supported on SiC foam for dry reforming of methane	31
Predicting chemical reaction outcomes: A grammar ontology‐based transformer framework	30
Dehydration of C2–C4 alcohol/water mixtures via electrostatically enhanced graphene oxide laminar membranes	30
The refinery of today, tomorrow, and the future: A separations perspective	29
Nitrogen‐doped carbon dots from Kraft lignin waste with inorganic acid catalyst and their brain cell imaging applications	29
A systematic modeling methodology of deep neural network‐based structure‐property relationship for rapid and reliable prediction on flashpoints	29
Integration of reinforcement learning and model predictive control to optimize semi‐batch bioreactor	28
Micromixing in a gas–liquid vortex reactor	28
Steady‐state and transient hydrothermal analyses of single‐phase natural circulation loop using water‐based tri‐hybrid nanofluids	28
Statistical machine‐learning–based predictive control of uncertain nonlinear processes	28
Deep hybrid model‐based predictive control with guarantees on domain of applicability	28
Gastight rotating cylinder electrode: Toward decoupling mass transport and intrinsic kinetics in electrocatalysis	27
Solvation‐amination‐synergy that neutralizes interfacially polymerized membranes for ultrahigh selective nanofiltration	27
Effective absorption of SO2 by imidazole‐based protic ionic liquids with multiple active sites: Thermodynamic and mechanical studies	27
Monte Carlo simulations for water adsorption in porous materials: Best practices and new insights	26
Pervaporation via silicon‐based membranes: Correlation and prediction of performance in pervaporation and gas permeation	26
New method of kinetic modeling for CO2 absorption into blended amine systems: A case of MEA/EAE/3DEA1P trisolvent blends	26
Exclusive and fast water channels in zwitterionic graphene oxide membrane for efficient water–ethanol separation	26
Deep eutectic solvents for efficient capture of cyclohexane in volatile organic compounds: Thermodynamic and molecular mechanism	26
Thermodynamic and molecular insights into natural gas dehydration using choline chloride‐based deep eutectic solvents	25
Predictive molecular thermodynamic models for ionic liquids	25
Using process data to generate an optimal control policy via apprenticeship and reinforcement learning	25
High‐frequency formation of bubble with short length in a capillary embedded step T‐junction microdevice	25
An accurate and interpretable deep learning model for environmental properties prediction using hybrid molecular representations	25
Perspectives of quantum computing for chemical engineering	25
Study of filtered interphase heat transfer using highly resolved CFD–DEM simulations	24
Data‐driven modeling of mesoscale solids stress closures for filtered two‐fluid model in gas–particle flows	24
Carbon dioxide capture by new DBU‐based DES: The relationship between ionicity and absorptive capacity	24
Cost‐efficient modeling of distributed molar mass and topological variations in graft copolymer synthesis by upgrading the method of moments	24
Design of the spherical agglomerate size in crystallization by developing a two‐step bridging mechanism and the model	24
A stable metal–organic framework with well‐matched pore cavity for efficient acetylene separation	24
Machine learning specific heat capacities of nanofluids containing CuO and Al2O3	23
Fluidization of elongated particles—Effect of multi‐particle correlations for drag, lift, and torque in CFD‐DEM	23
Asymmetric bipolar membrane electrodialysis for acid and base production	23
Determination of the kinetics of chlorobenzene nitration using a homogeneously continuous microflow	22
Molecular dynamics simulations of heterogeneous hydrogen bond environment in hydrophobic deep eutectic solvents	22
Open‐source molecular modeling software in chemical engineering focusing on the Molecular Simulation Design Framework	22
Towards artificial intelligence at scale in the chemical industry	22
Form selection of concomitant polymorphs: A case study informed by crystallization kinetics modeling	22

A novel stochastic optimization method to efficiently synthesize large‐scale nonsharp distillation systems	21
MOF‐derived bimetallic NiCo nanoalloys for the hydrogenation of biomass‐derived levulinic acid to γ‐valerolactone	21
Opposite selectivities of tri‐n‐butyl phosphate and Cyanex 923 in solvent extraction of lithium and magnesium	21
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<	21
An open‐source population balance modeling framework for the simulation of polydisperse multiphase flows	21
Pyomo.DOE: An open‐source package for model‐based design of experiments in Python	21
Viscosity model of deep eutectic solvents from group contribution method	20
Chemical immobilization of amino acids into robust metal–organic framework for efficient SO2 removal	20
Modulating the active phase structure of NiMo/Al2O3 by La modification for ultra‐deep hydrodesulfurization of diesel	20
Electrified methane steam reforming on a washcoated SiSiC foam for low‐carbon hydrogen production	20
Metal oxide‐doped Ni/CaO dual‐function materials for integrated CO2 capture and conversion: Performance and mechanism	20
Cuprous‐based composite ionic liquids for the selective absorption of CO: Experimental study and thermodynamic analysis	20
Metal–organic framework membranes: Unprecedented opportunities for gas separations	20
Adversarially robust Bayesian optimization for efficient auto‐tuning of generic control structures under uncertainty	20
Group and group‐interaction contribution method for estimating the melting temperatures of deep eutectic solvents	20
Convolutional neural nets in chemical engineering: Foundations, computations, and applications	20
Extraction of polycyclic aromatic hydrocarbons from fluid catalytic cracking diesel with ionic liquids	20
Molecular fingerprint and machine learning to accelerate design of high‐performance homochiral metal–organic frameworks	19
Stepped enhancement of CO2 adsorption and separation in IL‐ZIF‐IL composites with shell‐interlayer‐core structure	19
Anchoring hydroxyl intermediate on NiCo(OOH)x nanosheets to enable highly efficient electrooxidation of benzyl alcohols	19
Kinetics toward mechanism and real operation for ultra‐deep hydrodesulfurization and hydrodenitrogenation of diesel	19
The role of hydrogen‐bond in solubilizing drugs by ionic liquids: A molecular dynamics and density functional theory study	19
Adjusting accommodation microenvironment for Cu+ to enhance oxidation inhibition for thiophene capture	19
Spectroscopic models for real‐time monitoring of cell culture processes using spatiotemporal just‐in‐time Gaussian processes	19
UTSA‐280 metal–organic framework incorporated 6FDA‐polyimide mixed‐matrix membranes for ethylene/ethane separation	19
A continuum model for the segregation of bidisperse particles in a blade mixer	18
A new yttrium‐based metal–organic framework for molecular sieving of propane from propylene with high propylene capacity	18
Vapor linker exchange of partially amorphous metal–organic framework membranes for ultra‐selective gas separation	18
Alicyclic polyamide nanofilms with an asymmetric structure for Cl−/SO42−separation	18
Vapor‐phase polymerization of high‐performance thin‐film composite membranes for nanofiltration	18
Simultaneously upgrading CO2 and light alkanes into value‐added products	18
New insights into the mechanisms of carbon dioxide mineralization by portlandite	18
Au(III) extraction using ketone compounds with physical properties superior to current commercial extractants	18
XAI‐MEG: Combining symbolic AI and machine learning to generate first‐principles models and causal explanations	18
Dual‐layer membrane with hierarchical hydrophobicity and transport channels for nonpolar organic solvent nanofiltration	18
Modeling Fischer–Tropsch kinetics and product distribution over a cobalt catalyst	18
Hydrogen bond induced acidic liquids for efficient biodiesel production	18
Iterative model‐based experimental design for spherical agglomeration processes	18
Roles of interaction between components in CZZA/HZSM‐5 catalyst for dimethyl ether synthesis via CO2 hydrogenation	18
Breaking through permeability–selectivity trade‐off of thin‐film composite membranes assisted with crown ethers	18
Open source implementation of glued sphere discrete element method and nonspherical biomass fast pyrolysis simulation	18
Novel amino acid ionic liquids prepared via one‐step lactam hydrolysis for the highly efficient capture of CO2	18
Second interfacial polymerization of thin‐film composite hollow fibers with amine‐cyclodextrins for pervaporation dehydration	17
Adsorption of methyl iodide on reduced silver‐functionalized silica aerogel: Kinetics and modeling	17
Design and operational considerations of catalytic membrane reactors for ammonia synthesis	17
Assessing the performance of non‐associating SAFT‐type equations of state to reproduce vapor pressure, liquid density, enthalpy of vaporization, and liquid heat capacity data of 1800 pure f	17
Integrated design and control of reactive distillation processes using the driving force approach	17
Reconstruction of large‐scale flow structures in a stirred tank from limited sensor data	17
Enhanced propylene/propane separation in facilitated transport membranes containing multisilver complex	17
What does the NRTL model look like? Determination of boundaries for different fluid phase equilibrium regions	17
Multiscale modeling of ion transport in porous electrodes	17
Enhancing electrocatalytic N2 reduction via tailoring the electric double layers	17
Molecular simulations on the hydration and underwater oleophobicity of zwitterionic self‐assembled monolayers	17
Designing biomass supply chains within planetary boundaries	17
Efficient separation of 1,3‐butadiene fromC4hydrocarbons by flexible metal–organic framework with gate‐opening effect	17
Scaling up microreactors for kilogram‐scale synthesis of piperacillin: Experiments and computational fluid dynamics simulations	16
Bipolar membrane electrodialysis for clean production of L‐10‐camphorsulfonic acid: From laboratory to industrialization	16
Kinetics of aging process on reduced Ag exchanged mordenite in dry air and humid air	16
Prediction of Henry's law constants by matrix completion	16
Core‐shell structured HZSM‐5@mesoSiO2 catalysts with tunable shell thickness for efficient n‐butane catalytic cracking	16
Development and verification of coarse‐grain CFD‐DEM for nonspherical particles in a gas–solid fluidized bed	16
Modeling coupled temperature and transport effects on biofilm growth using thermal lattice Boltzmann model	16
MOF‐801 polycrystalline membrane with sub‐10 nm polymeric assembly layer for ion sieving and flow battery storage	16
Modular supply chain optimization considering demand uncertainty to manage risk	16
High‐throughput computational screening of porous polymer networks for natural gas sweetening based on a neural network	16
Association‐based activity coefficient model for electrolyte solutions	16
Aromatic volatile organic compounds absorption with phenyl‐based deep eutectic solvents: A molecular thermodynamics and dynamics study	16
Scalable3D‐printed lattices for pressure control in fluid applications	16
Aprotic phosphonium‐based ionic liquid as electrolyte for high CO2electroreduction to oxalate	16
Pyrazine‐interior‐embodied MOF‐74 for selective CO2 adsorption	15
An experimental and theoretical study on the effects of amine chain length on CO2 absorption performance	15
Structure and hydrogen bonds of hydrophobic deep eutectic solvent‐aqueous liquid–liquid interfaces	15
Superhydrophobic zeolitic imidazolate framework with suitable SOD cage for effective CH4/N2 adsorptive separation in humid environments	15
Mixed matrix metal–organic framework membranes for efficient CO2/N2 separation under humid conditions	15
Active sites modulation with Runge–Gross theorem: CO2 capture by porphyrinic metal–organic frameworks at excited states	15
Blackened calcium‐based composite particles and their apparent kinetics features for solar thermochemical energy storage	15
Mutual promotion effect of SO2 and NOx during yellow phosphorus and phosphate rock slurry adsorption process	15
Generalization of thermodynamic Langmuir isotherm for mixed‐gas adsorption equilibria	15
Optimizing catalyst supports at single catalyst pellet and packed bed reactor levels: A comparison study	15
Fish‐scale‐like nano‐porous membrane based on zeolite nanosheets for long stable zinc‐based flow battery	15

Performance and mechanism of the separation of C8 α‐olefin from F‐T synthesis products using novel Ag‐DES	15
Boosting C2H6/C2H4 separation in scalable metal‐organic frameworks through pore engineering	15
Reverse osmosis and pervaporation of organic liquids using organosilica membranes: Performance analysis and predictions	14
Ultra‐deep catalytic adsorptive desulfurization of diesel fuel using Ti‐silica gel adsorbent at low Ti‐loading	14
Stochastic blockmodeling for learning the structure of optimization problems	14
Description of the thermodynamic properties and fluid‐phase behavior of aqueous solutions of linear, branched, and cyclic amines	14
Restrictive diffusion and hydrodesulfurization reaction of dibenzothiophenes over NiMo/SBA‐15 catalysts	14
Mechanisms behind pH changes during electrocoagulation	14
Separation of methane and nitrogen using ionic liquidic zeolites by pressure vacuum swing adsorption	14
Non‐coalescence and chain formation of droplets under an alternating current electric field	14
In silico mechanically mediated atom transfer radical polymerization: A detailed kinetic study	14
Online machine learning modeling and predictive control of nonlinear systems with scheduled mode transitions	14
A control‐switching approach for cyberattack detection in process systems with minimal false alarms	14
Hydrogen production via chemical looping dry reforming of methane: Process modeling and systems analysis	14
Prediction of infinite‐dilution activity coefficients with neural collaborative filtering	14
Efficient synthesis of furfural from xylose over HCl catalyst in slug flow microreactors promoted by NaCl addition	14
Efficient nickel‐based catalysts for amine regeneration of CO2 capture: From experimental to calculations verifications	14
Nature and characteristics of gas–liquid flow regimes in a micro‐packed bed reactor	14
Direct air capture of CO2 by metal cation‐exchanged LTA zeolites: Effect of the charge‐to‐size ratio of cations	14
Constructing single‐atom Ni on N‐doped carbon via chelation‐anchored strategy for the hydrogenolysis of lignin	14
Capillary‐bridge forces between solid particles: Insights from lattice Boltzmann simulations	14
Ni single‐atom arrays as self‐supported electrocatalysts for CO2RR	13
Dynamical coupling of ion adsorption with fluid flow in nanopores	13
Crystallization solvent design based on a new quantitative prediction model of crystal morphology	13
Liquid–liquid interface induced PDMS‐PTFE composite membrane for ethanol perm‐selective pervaporation	13
Gd‐Ni‐Sb‐SnO2 electrocatalysts for active and selective ozone production	13
Analytic expressions for the isosteric heat of adsorption from adsorption isotherm models and two‐dimensional SAFT‐VR equation of state	13
Uncertainty estimation in deep learning‐based property models: Graph neural networks applied to the critical properties	13
Scalable synthesis of ytterbium and erbium codoped calcium molybdate phosphors as upconversion luminescent thermometer	13
Micro‐computed tomography for the 3D time‐resolved investigation of monodisperse droplet generation in a co‐flow setup	13
Integrated metal–organic framework and pressure/vacuum swing adsorption process design: Descriptor optimization	13
H2S absorption with deep eutectic solvents: Low partial pressure capture and thermodynamic analysis	13
Formation of viscoelastic droplets in a step‐emulsification microdevice	13
Four stages of thermal effect coupled with ion‐charge transports during the charging process of porous electrodes	13
Flexible and economical operation of chlor‐alkali process with subsequent polyvinyl chloride production	13
Liquid mixing intensification by adding swirling flow in the transverse jet mixer	13
Tuning product selectivity ofCO2hydrogenation byOHgroups on Pt/γ‐AlOOHand Pt/γ‐Al2O3catalysts	13
Exceptionally effective H2S absorption and conversion into thiols in novel superbase protic ionic liquids	13
Evaluating the demand response potential of ammonia plants	13
From Langmuir isotherm to Brunauer–Emmett–Teller isotherm	13
Improving CH4 uptake and CH4/N2 separation in pillar‐layered metal–organic frameworks using a regulating strategy of interlayer channe	13
Targeting climate‐neutral hydrogen production: Integrating brown and blue pathways with green hydrogen infrastructure via a novel superstructure and simulation‐based life cycle optimization	13
Slot die coating window for a uniform fuel cell ink dispersion	12
Flowsheet generation through hierarchical reinforcement learning and graph neural networks	12
Enhanced one‐step purification of C2H4 from C2H2/C2H4/C2H6 mixtures	12
Hydrodynamics study of a fast liquid–liquid oxidation process with in situ gas production in microreactors	12
Multi‐enzyme cascade reaction in a miniplant two‐phase‐system: Model validation and mathematical optimization	12
Membrane fouling by lysozyme: Effect of local interaction	12
High efficient separation of olefin from fluid catalytic cracking naphtha: Separation mechanism and universal simulation method	12
Large‐area vacuum‐treated ZIF‐8 mixed‐matrix membrane for highly efficient methane/nitrogen separation	12
Mapping crosslinking reaction–structure–property relationship in polyether‐based vinylogous urethane vitrimers	12
Formation of droplets of shear‐thinningnon‐Newtonianfluids in a step‐emulsification microdevice	12
Graph machine learning for design of high‐octane fuels	12
Multistage distributionally robust optimization for integrated production and maintenance scheduling	12
Catalytic coupling boosting efficient production of 5‐hydroxymethylfurfural from glucose	12
Kinetic modeling of simultaneous polycondensation and free radical polymerization for polyurethane/poly(methyl methacrylate) interpenetrating polymer network	12
Multi‐rate observer design and optimal control to maximize productivity of an industry‐scale fermentation process	12
Measuring binary fluidization of nonspherical and spherical particles using machine learning aided image processing	12
A virucidal face mask based on the reverse‐flow reactor concept for thermal inactivation of SARS‐CoV‐2	12
Au‐Promoted Pt nanoparticles supported on MgO/SBA‐15 as an efficient catalyst for selective oxidation of glycerol	12
Modeling mixing dynamics in uncovered baffled and unbaffled stirred tanks	12
Robust graphene/poly(vinyl alcohol) aerogel for high‐flux and high‐purity separation of water‐in‐oil emulsion and its computational fluid dynamic simulation	12
Quasi‐continuous synthesis of iron single atom catalysts via a microcapsule pyrolysis strategy	12
Mass transfer in 3D‐printed electrolyzers: The importance of inlet effects	12
Enhanced hydrate formation under mild conditions using a novel spiral‐agitated reactor	12
Modeling of gas–liquid flow in a rotating packed bed using an Eulerian multi‐fluid approach	12
Performance and pressure drop ofCO2absorption into task‐specific and halide‐free ionic liquids in a microchannel	12
Concentration polarization on surface patterned membranes	12
Thermal effect optimization endows a selective and stable PdCu single atom alloy catalyst for acetylene hydrogenation	12
Cell‐friendly regulation of ice crystals by antifreeze organism‐inspired materials	12
Detectability‐based controller design screening for processes under multiplicative cyberattacks	12
Particle‐resolved turbulent flow in a packed bed: RANS, LES, and DNS simulations	12
Filter‐membrane treatment of continuous‐flow tetracycline through photocatalysis‐assisted peroxydisulfate oxidation	12
Liquid‐liquid heterogeneous mixing efficiency in a rotating packed bed reactor	12
Screen‐printing of nanocube‐based flexible microchips for the precise biosensing of ethanol during fermentation	11
A novel preparation and vapor phase modification of 2D‐open channel bioadsorbent for uranium separation	11
Functional molecular cross‐linked zeolite nanosheets heighten ion selectivity and conductivity of flow battery membrane	11
One‐step purification of ethylene from acetylene and carbon dioxide by ultramicroporous carbons	11
Active learning boosted computational discovery of covalent–organic frameworks for ultrahighCH4storage	11
Electron‐deficient covalent organic frameworks anchored on melamine sponges for visible‐light‐driven H2O2 evolution	11
Flexible distillation test rig on a laboratory scale for characterization of additively manufactured packings	11
Universal correlation for gas hydrates suppression temperature of inhibited systems: IV. Water activity	11
Effect of ultrasonic waveforms on gas–liquid mass transfer in microreactors	11
Data‐driven prescriptive maintenance toward fault‐tolerant multiparametric control	11
Modified COSMO‐UNIFAC model for ionic liquid–CO2 systems and molecular dynamic simulation	11
Cavitation behavior and mixing performance of antisolvent precipitation process in an ultrasonic micromixer	11
Modeling and predictive control of nonlinear processes using transfer learning method	11
An experimental/computational study of steric hindrance effects on CO2 absorption in (non)aqueous amine solutions	11
Flexibility index of black‐box models with parameter uncertainty through derivative‐free optimization	11
Deterministic symbolic regression with derivative information: General methodology and application to equations of state	11
Engineering of inorganic nanostructures with hierarchy of chiral geometries at multiple scales	11
Methane hydrate production using a novel spiral‐agitated reactor: Promotion of hydrate formation kinetics	11
Prediction of CO2 solubility in ionic liquids via convolutional autoencoder based on molecular structure encoding	11
Investigation into adsorption equilibrium and thermodynamics for water vapor on montmorillonite clay	11
Drop breakage in a single‐pass through vortex‐based cavitation device: Experiments and modeling	11