AIChE Journal

Article	Citations
Intermediate thermal manipulation of polymers of intrinsic microporous (PIMs) membranes for gas separations	67
High‐performance adsorptive desulfurization by ternary hybrid boron carbon nitride aerogel	59
Operable adaptive sparse identification of systems: Application to chemical processes	56
Cation–dipole interaction that creates ordered ion channels in an anion exchange membrane for fastOH−conduction	54
Promoted absorption of CO at high temperature by cuprous‐based ternary deep eutectic solvents	52
Protic ionic liquid‐based deep eutectic solvents with multiple hydrogen bonding sites for efficient absorption of NH3	50
In silico screening and design strategies of ethane‐selective metal–organic frameworks for ethane/ethylene separation	45
Remarkable NH3 absorption in metal‐based deep eutectic solvents by multiple coordination and hydrogen‐bond interaction	44
Optimal nanocone geometry for water flow	44
Taylor‐Couette reactor: Principles, design, and applications	44
Improving CH4/N2 selectivity within isomeric Al‐based MOFs for the highly selective capture of coal‐mine methane	44
Chelation‐activated multiple‐site reversible chemical absorption of ammonia in ionic liquids	44
AI models for correlation of physical properties in system of 1DMA2P‐CO2‐H2O	43
Neural recommender system for the activity coefficient prediction andUNIFACmodel extension of ionicliquid‐solutesystems	41
Conventional anddata‐drivenmodeling of filtered drag, heat transfer, and reaction rate ingas–particleflows	40
A framework of hybrid model development with identification of plant‐model mismatch	39
Facile synthesis of ultramicroporous carbon adsorbents with ultra‐high CH4 uptake by in situ ionic activation	38
Two antagonistic effects of flow/mixing on reactive polymer blending	38
Multiscale modeling and multiobjective control of wood fiber morphology in batch pulp digester	38
Coupling particle scale model and SuperDEM‐CFD for multiscale simulation of biomass pyrolysis in a packed bed pyrolyzer	37
Transport phenomena in electrolyte solutions: Nonequilibrium thermodynamics and statistical mechanics	37
PtZn intermetallic nanoalloy encapsulated in silicalite‐1 for propane dehydrogenation	36
Soft‐constrained model predictive control based on data‐driven distributionally robust optimization	36
Separation of propylene and propane with a microporous metal–organic framework via equilibrium‐kinetic synergetic effect	35
Machine learning modeling and predictive control of nonlinear processes using noisy data	35

Coupling smartphone and CRISPR–Cas12a for digital and multiplexed nucleic acid detection	35
High H2 permeable SAPO‐34 hollow fiber membrane for high temperature propane dehydrogenation application	34
A hybrid science‐guided machine learning approach for modeling chemical processes: A review	34
Highly efficient separation of linear and branched C4 isomers with a tailor‐made metal–organic framework	34
State of the art of ionic liquid‐modified adsorbents forCO2capture and separation	34
In situ coupling of lignin‐derived carbon‐encapsulated CoFe‐CoxN heterojunction for oxygen evolution reaction	34
Generic AI models for mass transfer coefficient prediction in amine‐based CO2 absorber, Part II: RBFNN and RF model	34
Next generation pure component property estimation models: With and without machine learning techniques	32
Comprehensive reaction kinetics model of CO2 absorption into 1‐dimethylamino‐2‐propanol solution	32
Selective removal of magnesium from lithium‐rich brine for lithium purification by synergic solvent extraction using β‐diketones and Cyanex 923	31
Operability and control in process intensification and modular design: Challenges and opportunities	31
Machine learning‐based atom contribution method for the prediction of surface charge density profiles and solvent design	30
In situ encapsulated subnanometric CoO clusters within silicalite‐1 zeolite for efficient propane dehydrogenation	30
Ultramicroporous carbon granules with narrow pore size distribution for efficient CH4 separation from coal‐bed gases	29
Dust cloud explosion characteristics and mechanisms in MgH2‐based hydrogen storage materials	29
Local and overall gas holdup in an aerated coaxial mixing system containing a non‐Newtonian fluid	29
Integrated ionic liquid and rate‐based absorption process design for gas separation: Global optimization using hybrid models	29
Demand response scheduling under uncertainty: Chance‐constrained framework and application to an air separation unit	28
Entropy‐stabilized metal‐CeOx solid solutions for catalytic combustion of volatile organic compounds	28
Molecular‐level kinetic modeling of heavy oil fluid catalytic cracking process based on hybrid structural unit and bond‐electron matrix	28
Ion‐“distillation” for isolating lithium from lake brine	28
Predicting chemical reaction outcomes: A grammar ontology‐based transformer framework	27
Dehydration of C2–C4 alcohol/water mixtures via electrostatically enhanced graphene oxide laminar membranes	27
Moving from postdictive to predictive kinetics in reaction engineering	27
Machine learning‐based distributed model predictive control of nonlinear processes	27
Bipolar membrane electrodialysis for cleaner production of N‐methylated glycine derivative amino acids	26
Structured silicalite‐1 encapsulated Ni catalyst supported on SiC foam for dry reforming of methane	26
Separation ofCH4/N2by an ultra‐stable metal–organic framework with the highest breakthrough selectivity	26
Application of offset‐free Koopman‐based model predictive control to a batch pulp digester	26
Effective absorption of SO2 by imidazole‐based protic ionic liquids with multiple active sites: Thermodynamic and mechanical studies	26
Ultramicroporous carbons featuring sub‐Ångstrom tunable apertures for the selective separation of light hydrocarbon	26
Dual‐function catalysis in propane dehydrogenation over Pt1–Ga2O3 catalyst: Insights from a microkinetic analysis	26
Exclusive and fast water channels in zwitterionic graphene oxide membrane for efficient water–ethanol separation	25
Highly dispersed and active Pd nanoparticles over titania support through engineering oxygen vacancies and their anchoring effect	25
Modular reactors with electrical resistance heating for hydrocarbon cracking and other endothermic reactions	25
The refinery of today, tomorrow, and the future: A separations perspective	25
Micromixing in a gas–liquid vortex reactor	25
Statistical machine‐learning–based predictive control of uncertain nonlinear processes	24
Gas–liquid–solid reaction system for CO2 electroreduction to formate without using supporting electrolyte	24
Thermodynamic and molecular insights into natural gas dehydration using choline chloride‐based deep eutectic solvents	23
Using deep learning to recognize liquid–liquid flow patterns in microchannels	23
Cost‐efficient modeling of distributed molar mass and topological variations in graft copolymer synthesis by upgrading the method of moments	23
Solvation‐amination‐synergy that neutralizes interfacially polymerized membranes for ultrahigh selective nanofiltration	23
A computational approach to characterize formation of a passivation layer in lithium metal anodes	23
Plasmon‐induced photothermal effect of sub‐10‐nm Cu nanoparticles enables boosted full‐spectrum solar H2 production	23
Steady‐state and transient hydrothermal analyses of single‐phase natural circulation loop using water‐based tri‐hybrid nanofluids	23
Nitrogen‐doped carbon dots from Kraft lignin waste with inorganic acid catalyst and their brain cell imaging applications	23
Integration of machine learning and first principles models	23
High‐frequency formation of bubble with short length in a capillary embedded step T‐junction microdevice	23
Synthesis of adipic acid through oxidation of K/A oil and its kinetic study in a microreactor system	23

Using process data to generate an optimal control policy via apprenticeship and reinforcement learning	22
Natural deep eutectic systems for nature‐inspired cryopreservation of cells	22
Misconceptions about efficiency and maturity of distillation	22
Online learning‐based predictive control of crystallization processes under batch‐to‐batch parametric drift	22
High‐performance oxygen transport membrane reactors integrated with IGCC for carbon capture	22
The effects of stoichiometry on the properties of exsolved Ni‐Fe alloy nanoparticles for dry methane reforming	21
Droplets generation under different flow rates in T‐junction microchannel with a neck	21
Data‐driven modeling of mesoscale solids stress closures for filtered two‐fluid model in gas–particle flows	21
Enhancing oil–solid and oil–water separation in heavy oil recovery by CO2‐responsive surfactants	21
A systematic modeling methodology of deep neural network‐based structure‐property relationship for rapid and reliable prediction on flashpoints	21
Numerical simulation of enhanced oil recovery studies for aqueous gemini surfactant‐polymer‐nanoparticle systems	21
Predictive molecular thermodynamic models for ionic liquids	21
Pervaporation via silicon‐based membranes: Correlation and prediction of performance in pervaporation and gas permeation	21
Carbon dioxide capture by new DBU‐based DES: The relationship between ionicity and absorptive capacity	21
Gastight rotating cylinder electrode: Toward decoupling mass transport and intrinsic kinetics in electrocatalysis	21
Integration of reinforcement learning and model predictive control to optimize semi‐batch bioreactor	21
Dependence of zeolite topology on alkane diffusion inside diverse channels	21
Deep eutectic solvents for efficient capture of cyclohexane in volatile organic compounds: Thermodynamic and molecular mechanism	20
Predicting activity coefficients with the Debye–Hückel theory using concentration dependent static permittivity	20
Novel continuous process for methacrolein production in numerous droplet reactors	20
Integrated cyberattack detection and resilient control strategies using Lyapunov‐based economic model predictive control	20
Study of filtered interphase heat transfer using highly resolved CFD–DEM simulations	20
Fluidization of elongated particles—Effect of multi‐particle correlations for drag, lift, and torque in CFD‐DEM	20
A stable metal–organic framework with well‐matched pore cavity for efficient acetylene separation	20
Waste high‐density polyethylene recycling process systems for mitigating plastic pollution through a sustainable design and synthesis paradigm	19
Deep hybrid model‐based predictive control with guarantees on domain of applicability	19
Cuprous‐based composite ionic liquids for the selective absorption of CO: Experimental study and thermodynamic analysis	19
An open‐source population balance modeling framework for the simulation of polydisperse multiphase flows	19
A novel stochastic optimization method to efficiently synthesize large‐scale nonsharp distillation systems	19
Etching and acidifying graphene oxide membranes to increase gas permeance while retaining molecular sieving ability	19
Monte Carlo simulations for water adsorption in porous materials: Best practices and new insights	19
Coupling reduced‐order modeling and coarse‐grainedCFD‐DEMto accelerate coal gasifier simulation and optimization	19
Form selection of concomitant polymorphs: A case study informed by crystallization kinetics modeling	19
Machine learning specific heat capacities of nanofluids containing CuO and Al2O3	18
Nonrandom two‐liquid activity coefficient model with association theory	18
Hopper discharge of cohesive powders using pulsated airflow	18
Determination of the kinetics of chlorobenzene nitration using a homogeneously continuous microflow	18
Asymmetric bipolar membrane electrodialysis for acid and base production	18
Oil–water transport in clay‐hosted nanopores: Effects of long‐range electrostatic forces	18
Adjusting accommodation microenvironment for Cu+ to enhance oxidation inhibition for thiophene capture	18
Rebound dynamics of two droplets simultaneously impacting a flat superhydrophobic surface	18
Group and group‐interaction contribution method for estimating the melting temperatures of deep eutectic solvents	18
Open source implementation of glued sphere discrete element method and nonspherical biomass fast pyrolysis simulation	18
Air–water interfacial synthesis of metal–organic framework hollow fiber membranes for water purification	17
A new yttrium‐based metal–organic framework for molecular sieving of propane from propylene with high propylene capacity	17
Molecular dynamics simulations of heterogeneous hydrogen bond environment in hydrophobic deep eutectic solvents	17
Dual‐layer membrane with hierarchical hydrophobicity and transport channels for nonpolar organic solvent nanofiltration	17
UTSA‐280 metal–organic framework incorporated 6FDA‐polyimide mixed‐matrix membranes for ethylene/ethane separation	17
Design of the spherical agglomerate size in crystallization by developing a two‐step bridging mechanism and the model	17
New method of kinetic modeling for CO2 absorption into blended amine systems: A case of MEA/EAE/3DEA1P trisolvent blends	17
A data‐driven optimization algorithm for differential algebraic equations with numerical infeasibilities	17
Enhancing electrocatalytic N2 reduction via tailoring the electric double layers	17
An accurate and interpretable deep learning model for environmental properties prediction using hybrid molecular representations	17
Open‐source molecular modeling software in chemical engineering focusing on the Molecular Simulation Design Framework	17
Opposite selectivities of tri‐n‐butyl phosphate and Cyanex 923 in solvent extraction of lithium and magnesium	17
Alicyclic polyamide nanofilms with an asymmetric structure for Cl−/SO42−separation	17
Temperature‐dependent vapor–liquid equilibria and solvation free energy estimation from minimal data	16
Vapor linker exchange of partially amorphous metal–organic framework membranes for ultra‐selective gas separation	16
Multi‐stage economic model predictive control for a gold cyanidation leaching process under uncertainty	16
Breaking through permeability–selectivity trade‐off of thin‐film composite membranes assisted with crown ethers	16
Tailoring microenvironment of adsorbents to achieve excellent CO2 uptakes from wet gases	16
Chemical immobilization of amino acids into robust metal–organic framework for efficient SO2 removal	16
Improving mixing performance by curved‐blade static mixer	16
Immobilization of lipase onto metal–organic frameworks for enantioselective hydrolysis and transesterification	16
Structured Ni@NaA zeolite supported on silicon carbide foam catalysts for catalytic carbon dioxide methanation	16
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<	16
Enhanced propylene/propane separation in facilitated transport membranes containing multisilver complex	16
Process intensification of CO2 absorption using a 3D printed intensified packing device	16
A computational study of water in UiO‐66 Zr‐MOFs: Diffusion, hydrogen bonding network, and confinement effect	16
Stepped enhancement of CO2 adsorption and separation in IL‐ZIF‐IL composites with shell‐interlayer‐core structure	16
Second interfacial polymerization of thin‐film composite hollow fibers with amine‐cyclodextrins for pervaporation dehydration	16
Methane and carbon dioxide in dual‐porosity organic matter: Molecular simulations of adsorption and diffusion	15
Adsorption of methyl iodide on reduced silver‐functionalized silica aerogel: Kinetics and modeling	15
Association‐based activity coefficient model for electrolyte solutions	15
Au(III) extraction using ketone compounds with physical properties superior to current commercial extractants	15
Designing biomass supply chains within planetary boundaries	15
Experimental study on drop breakup time and breakup rate with drop swarms in a stirred tank	15
Reconstruction of large‐scale flow structures in a stirred tank from limited sensor data	15
Core‐shell structured HZSM‐5@mesoSiO2 catalysts with tunable shell thickness for efficient n‐butane catalytic cracking	15
Simultaneously upgrading CO2 and light alkanes into value‐added products	15

Adversarially robust Bayesian optimization for efficient auto‐tuning of generic control structures under uncertainty	15
Roles of interaction between components in CZZA/HZSM‐5 catalyst for dimethyl ether synthesis via CO2 hydrogenation	15
Convolutional neural nets in chemical engineering: Foundations, computations, and applications	15
Metal–organic framework membranes: Unprecedented opportunities for gas separations	15
Molecular fingerprint and machine learning to accelerate design of high‐performance homochiral metal–organic frameworks	15
A novel adaptive sampling based methodology for feasible region identification of compute intensive models using artificial neural network	15
A unified framework for adjustable robust optimization with endogenous uncertainty	15
Promoting the sulfuric acid catalyzed isobutane alkylation by quaternary ammonium ionic liquids	15
Electrified methane steam reforming on a washcoated SiSiC foam for low‐carbon hydrogen production	14
Molecular simulations on the hydration and underwater oleophobicity of zwitterionic self‐assembled monolayers	14
Kinetics of aging process on reduced Ag exchanged mordenite in dry air and humid air	14
Viscosity model of deep eutectic solvents from group contribution method	14
Prediction of Henry's law constants by matrix completion	14
Integrated design and control of reactive distillation processes using the driving force approach	14
Do investments in flexibility enhance sustainability? A simulative study considering the German electricity sector	14
Extraction of polycyclic aromatic hydrocarbons from fluid catalytic cracking diesel with ionic liquids	14
Hydration counteracts the separation of lanthanides by solvent extraction	14
Scaling up microreactors for kilogram‐scale synthesis of piperacillin: Experiments and computational fluid dynamics simulations	14
Description of the thermodynamic properties and fluid‐phase behavior of aqueous solutions of linear, branched, and cyclic amines	14
Kinetics toward mechanism and real operation for ultra‐deep hydrodesulfurization and hydrodenitrogenation of diesel	14
Analysis of dynamic CO2 capture over 13X zeolite monoliths in the presence of SOx, NOx and humidity	14
Multilevel Monte Carlo applied for uncertainty quantification in stochastic multiscale systems	14
Mixed matrix membranes containing polymer‐embedded metal‐organic framework microspheres	14
In silico mechanically mediated atom transfer radical polymerization: A detailed kinetic study	14
Detailed modeling of the kraft pulping chemistry: carbohydrate reactions	14
MOF‐801 polycrystalline membrane with sub‐10 nm polymeric assembly layer for ion sieving and flow battery storage	14
New insights into the mechanisms of carbon dioxide mineralization by portlandite	14
Metal oxide‐doped Ni/CaO dual‐function materials for integrated CO2 capture and conversion: Performance and mechanism	14
Discrete element method study on hopper discharge behaviors of binary mixtures of nonspherical particles	14
Drop size correlation and population balance model for an agitated‐pulsed solvent extraction column	14
The role of hydrogen‐bond in solubilizing drugs by ionic liquids: A molecular dynamics and density functional theory study	14
Multiscale modeling of ion transport in porous electrodes	13
Performance and mechanism of the separation of C8 α‐olefin from F‐T synthesis products using novel Ag‐DES	13
Mutual promotion effect of SO2 and NOx during yellow phosphorus and phosphate rock slurry adsorption process	13
Experimental study and CFD numerical simulation of an innovative vapor splitter in dividing wall column	13
What does the NRTL model look like? Determination of boundaries for different fluid phase equilibrium regions	13
Time–space coupled learning method for model reduction of distributed parameter systems with encoder‐decoder and RNN	13
Efficient separation of 1,3‐butadiene fromC4hydrocarbons by flexible metal–organic framework with gate‐opening effect	13
Simultaneous design and operation optimization of renewable combined cooling heating and power systems	13
Separation of C2–C4 hydrocarbons from methane by zeolite MFI hollow fiber membranes fabricated from 2D nanosheets	13
Modeling Fischer–Tropsch kinetics and product distribution over a cobalt catalyst	13
Thermal hazard and reaction mechanism of the preparation of adipic acid through the oxidation with hydrogen peroxide	13
Flexible and economical operation of chlor‐alkali process with subsequent polyvinyl chloride production	13
Bipolar membrane electrodialysis for clean production of L‐10‐camphorsulfonic acid: From laboratory to industrialization	13
Integrated process design, scheduling, and model predictive control of batch processes with closed‐loop implementation	13
Using prior parameter knowledge in model‐based design of experiments for pharmaceutical production	13
Experimental measurement of bubble breakup in a jet bubbling reactor	13
MOF‐derived bimetallic NiCo nanoalloys for the hydrogenation of biomass‐derived levulinic acid to γ‐valerolactone	13
Ultra‐deep catalytic adsorptive desulfurization of diesel fuel using Ti‐silica gel adsorbent at low Ti‐loading	13
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	13
Toward rational design of hierarchical beta zeolites: An overview and beyond	13
Modeling coupled temperature and transport effects on biofilm growth using thermal lattice Boltzmann model	13
Constructing single‐atom Ni on N‐doped carbon via chelation‐anchored strategy for the hydrogenolysis of lignin	13
CO2 process intensification of algae oil extraction to biodiesel	12
Chemical reaction modeling of industrial scale nitrocellulose production for military applications	12
Structure and hydrogen bonds of hydrophobic deep eutectic solvent‐aqueous liquid–liquid interfaces	12
Direct comparison of Eulerian–Eulerian and Eulerian–Lagrangian simulations for particle‐laden vertical channel flow	12
Flow characteristics of blade unit of a tridimensional rotational flow sieve tray under concurrent gas–liquid flow	12
Formation of droplets of shear‐thinningnon‐Newtonianfluids in a step‐emulsification microdevice	12
Design and operational considerations of catalytic membrane reactors for ammonia synthesis	12
Molecular thermodynamic understanding of transport behavior of CO2 at the ionic liquids‐electrode interface	12
A survey of multiscale modeling: Foundations, historical milestones, current status, and future prospects	12
Towards artificial intelligence at scale in the chemical industry	12
Scalable3D‐printed lattices for pressure control in fluid applications	12
Modulating the active phase structure of NiMo/Al2O3 by La modification for ultra‐deep hydrodesulfurization of diesel	12
Diamine versus amines blend for CO2 chemical absorption	12
Capillary‐bridge forces between solid particles: Insights from lattice Boltzmann simulations	12
Non‐coalescence and chain formation of droplets under an alternating current electric field	12
Reverse osmosis and pervaporation of organic liquids using organosilica membranes: Performance analysis and predictions	12
Fischer–Tropsch synthesis with ethene co‐feeding: Experimental evidence of the CO‐insertion mechanism at low temperature	12
Superhydrophobic zeolitic imidazolate framework with suitable SOD cage for effective CH4/N2 adsorptive separation in humid environments	12
Aromatic volatile organic compounds absorption with phenyl‐based deep eutectic solvents: A molecular thermodynamics and dynamics study	12
Membrane fouling by lysozyme: Effect of local interaction	12
Understanding initial zeolite oligomerization steps with first principles calculations	12
A virucidal face mask based on the reverse‐flow reactor concept for thermal inactivation of SARS‐CoV‐2	12
Vapor‐phase polymerization of high‐performance thin‐film composite membranes for nanofiltration	12
Effects of ionicity and chain structure on the physicochemical properties of protic ionic liquids	12
Filter‐membrane treatment of continuous‐flow tetracycline through photocatalysis‐assisted peroxydisulfate oxidation	12
Development and verification of coarse‐grain CFD‐DEM for nonspherical particles in a gas–solid fluidized bed	12
Spectroscopic models for real‐time monitoring of cell culture processes using spatiotemporal just‐in‐time Gaussian processes	12
Model‐based reinforcement learning for nonlinear optimal control with practical asymptotic stability guarantees	12
Evaluation of experimentally obtained permeance based on module simulation: How should permeance be evaluated?	11
Modular supply chain optimization considering demand uncertainty to manage risk	11
Rapid formation of methane hydrates with compact agglomeration via regulating the hydrophilic groups of nanopromoters	11
Large‐area vacuum‐treated ZIF‐8 mixed‐matrix membrane for highly efficient methane/nitrogen separation	11
Evaluating the demand response potential of ammonia plants	11
An experimentally validated heat and mass transfer model for wax deposition from flowing oil onto a cold surface	11
Perspectives of quantum computing for chemical engineering	11
Crystallization solvent design based on a new quantitative prediction model of crystal morphology	11
High‐throughput computational screening of porous polymer networks for natural gas sweetening based on a neural network	11
Dynamical coupling of ion adsorption with fluid flow in nanopores	11
Hydrogen production via chemical looping dry reforming of methane: Process modeling and systems analysis	11
Kinetic features of iron‐based electrochemically mediated ATRP revealed by Monte Carlo simulation	11
Detectability‐based controller design screening for processes under multiplicative cyberattacks	11
Quantifying the effect of polarity on the behavior of mixtures of n‐alkanes with dipolar solvents using polar soft‐statistical associating fluid theory (Polar soft‐SAFT)	11