Results: 28
Issue Information – Table of Contents.
- Published in:
- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17242
- Publication type:
- Article
Open‐source molecular modeling software in chemical engineering focusing on the Molecular Simulation Design Framework.
- Published in:
- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17206
- By:
- Publication type:
- Article
Description of the thermodynamic properties and fluid‐phase behavior of aqueous solutions of linear, branched, and cyclic amines.
- Published in:
- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17194
- By:
- Publication type:
- Article
Keith E. Gubbins: A retrospective.
- Published in:
- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17191
- By:
- Publication type:
- Article
Predicting chemical reaction outcomes: A grammar ontology‐based transformer framework.
- Published in:
- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17190
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- Publication type:
- Article
A tribute to Keith E. Gubbins.
- Published in:
- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17187
- By:
- Publication type:
- Article
Analytic expressions for the isosteric heat of adsorption from adsorption isotherm models and two‐dimensional SAFT‐VR equation of state.
- Published in:
- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17186
- By:
- Publication type:
- Article
Phase behavior and kinetics properties of gas hydrates in confinement and its application.
- Published in:
- 2021
- By:
- Publication type:
- Literature Review
Impact of defects on the decomposition of chemical warfare agent simulants in Zr‐based metal organic frameworks.
- Published in:
- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17156
- By:
- Publication type:
- Article
Nanoparticle dispersion in porous media: Effects of hydrodynamic interactions and dimensionality.
- Published in:
- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17147
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- Publication type:
- Article
Combination of monovalent and divalent sites on an associating species: Application to water.
- Published in:
- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17146
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- Publication type:
- Article
Molecular dynamics simulations of enantiomeric separations as an interfacial process in HPLC.
- Published in:
- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17143
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- Publication type:
- Article
Structural insights into peptide self‐assembly using photo‐induced crosslinking experiments and discontinuous molecular dynamics.
- Published in:
- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17101
- By:
- Publication type:
- Article
Properties of supercritical N<sub>2</sub> , O<sub>2</sub> , CO<sub>2</sub> , and NH<sub>3</sub> mixtures from the virial equation of state.
- Published in:
- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17072
- By:
- Publication type:
- Article
Molecular thermodynamic understanding of transport behavior of CO<sub>2</sub> at the ionic liquids‐electrode interface.
- Published in:
- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17060
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- Publication type:
- Article
Networks of materials: Construction and structural analysis.
- Published in:
- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17051
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- Publication type:
- Article
Power generation from waste heat: Ionic liquid‐based absorption cycle versus organic Rankine cycle.
- Published in:
- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17038
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- Publication type:
- Article
Local pressure for inhomogeneous fluids.
- Published in:
- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17037
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- Publication type:
- Article
A computational study of water in UiO‐66 Zr‐MOFs: Diffusion, hydrogen bonding network, and confinement effect.
- Published in:
- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17035
- By:
- Publication type:
- Article
A survey of multiscale modeling: Foundations, historical milestones, current status, and future prospects.
- Published in:
- 2021
- By:
- Publication type:
- Literature Review
In silico screening and design strategies of ethane‐selective metal–organic frameworks for ethane/ethylene separation.
- Published in:
- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17025
- By:
- Publication type:
- Article
How does the shape and surface energy of pores affect the adsorption of nanoconfined fluids?
- Published in:
- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17011
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- Publication type:
- Article
Cage occupancy and dissociation enthalpy of hydrocarbon hydrates.
- Published in:
- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17009
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- Publication type:
- Article
Sulfonyl PIM‐1: A diverse separation membrane with dilation resistance.
- Published in:
- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17006
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- Publication type:
- Article
Predicting chemical reaction equilibria in molten carbonate fuel cells via molecular simulations.
- Published in:
- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.16988
- By:
- Publication type:
- Article
Methane and carbon dioxide in dual‐porosity organic matter: Molecular simulations of adsorption and diffusion.
- Published in:
- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.16655
- By:
- Publication type:
- Article
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).
- Published in:
- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.16649
- By:
- Publication type:
- Article
Solvation pressure in spherical mesopores: Macroscopic theory and molecular simulations.
- Published in:
- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.16542
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- Publication type:
- Article