Works matching IS 00011541 AND DT 2021 AND VI 67 AND IP 3
Results: 28
Description of the thermodynamic properties and fluid‐phase behavior of aqueous solutions of linear, branched, and cyclic amines.
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- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17194
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- Article
Issue Information – Table of Contents.
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- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17242
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- Article
Open‐source molecular modeling software in chemical engineering focusing on the Molecular Simulation Design Framework.
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- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17206
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Keith E. Gubbins: A retrospective.
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- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17191
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Predicting chemical reaction outcomes: A grammar ontology‐based transformer framework.
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- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17190
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A tribute to Keith E. Gubbins.
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- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17187
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Analytic expressions for the isosteric heat of adsorption from adsorption isotherm models and two‐dimensional SAFT‐VR equation of state.
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- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17186
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Phase behavior and kinetics properties of gas hydrates in confinement and its application.
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- 2021
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- Publication type:
- Literature Review
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.
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- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17072
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Impact of defects on the decomposition of chemical warfare agent simulants in Zr‐based metal organic frameworks.
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- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17156
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Networks of materials: Construction and structural analysis.
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- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17051
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- Article
Nanoparticle dispersion in porous media: Effects of hydrodynamic interactions and dimensionality.
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- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17147
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Structural insights into peptide self‐assembly using photo‐induced crosslinking experiments and discontinuous molecular dynamics.
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- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17101
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Molecular thermodynamic understanding of transport behavior of CO<sub>2</sub> at the ionic liquids‐electrode interface.
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- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17060
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- Article
Molecular dynamics simulations of enantiomeric separations as an interfacial process in HPLC.
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- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17143
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Combination of monovalent and divalent sites on an associating species: Application to water.
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- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17146
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- Article
Power generation from waste heat: Ionic liquid‐based absorption cycle versus organic Rankine cycle.
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- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17038
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Local pressure for inhomogeneous fluids.
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- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17037
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A computational study of water in UiO‐66 Zr‐MOFs: Diffusion, hydrogen bonding network, and confinement effect.
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- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17035
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A survey of multiscale modeling: Foundations, historical milestones, current status, and future prospects.
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- 2021
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- Publication type:
- Literature Review
In silico screening and design strategies of ethane‐selective metal–organic frameworks for ethane/ethylene separation.
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- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17025
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- Article
How does the shape and surface energy of pores affect the adsorption of nanoconfined fluids?
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- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17011
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- Article
Cage occupancy and dissociation enthalpy of hydrocarbon hydrates.
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- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17009
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Sulfonyl PIM‐1: A diverse separation membrane with dilation resistance.
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- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17006
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Predicting chemical reaction equilibria in molten carbonate fuel cells via molecular simulations.
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- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.16988
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- Article
Methane and carbon dioxide in dual‐porosity organic matter: Molecular simulations of adsorption and diffusion.
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- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.16655
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- 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).
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- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.16649
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- Article
Solvation pressure in spherical mesopores: Macroscopic theory and molecular simulations.
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- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.16542
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