Predicting NRTL binary interaction parameters from molecular simulations

Ashwin Ravichandran; Rajesh Khare; Chau‐Chyun Chen

doi:10.1002/aic.16117

Predicting NRTL binary interaction parameters from molecular simulations

AIChE Journal ◽

10.1002/aic.16117 ◽

2018 ◽

Vol 64 (7) ◽

pp. 2758-2769 ◽

Cited By ~ 14

Author(s):

Ashwin Ravichandran ◽

Rajesh Khare ◽

Chau‐Chyun Chen

Keyword(s):

Molecular Simulations ◽

Interaction Parameters ◽

Binary Interaction ◽

Binary Interaction Parameters

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Closure equations in the estimation of binary interaction parameters

Korean Journal of Chemical Engineering ◽

10.1007/bf02706917 ◽

2003 ◽

Vol 20 (4) ◽

pp. 736-744 ◽

Cited By ~ 13

Author(s):

Syed Akhlaq Ahmad ◽

Ashok Khanna

Keyword(s):

Interaction Parameters ◽

Binary Interaction ◽

Binary Interaction Parameters

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An analytical consistent pseudo-component delumping procedure for equations of state with non-zero binary interaction parameters

Fluid Phase Equilibria ◽

10.1016/j.fluid.2006.03.016 ◽

2006 ◽

Vol 245 (1) ◽

pp. 71-82 ◽

Cited By ~ 15

Author(s):

Dan Vladimir Nichita ◽

Claude F. Leibovici

Keyword(s):

Equations Of State ◽

Interaction Parameters ◽

Binary Interaction ◽

Binary Interaction Parameters

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Calculating the Viscosity of Crude Oil Blends by Binary Interaction Parameters Using Literature Data

Petroleum Science and Technology ◽

10.1080/10916466.2014.923456 ◽

2015 ◽

Vol 33 (8) ◽

pp. 893-900 ◽

Cited By ~ 7

Author(s):

G. Centeno ◽

G. Sánchez-Reyna ◽

J. Ancheyta

Keyword(s):

Crude Oil ◽

Interaction Parameters ◽

Binary Interaction ◽

Oil Blends ◽

Binary Interaction Parameters

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Estimation of e-NRTL binary interaction parameters and its impact on the prediction of thermodynamic properties of multicomponent electrolyte systems

Fluid Phase Equilibria ◽

10.1016/j.fluid.2021.113264 ◽

2021 ◽

pp. 113264

Author(s):

J.L. Valverde ◽

V.R. Ferro ◽

A. Giroir-Fendler

Keyword(s):

Thermodynamic Properties ◽

Interaction Parameters ◽

Binary Interaction ◽

Binary Interaction Parameters

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Automatic Fitting of Binary Interaction Parameters for Multi-fluid Helmholtz-Energy-Explicit Mixture Models

Journal of Chemical & Engineering Data ◽

10.1021/acs.jced.6b00257 ◽

2016 ◽

Vol 61 (11) ◽

pp. 3752-3760 ◽

Cited By ~ 20

Author(s):

Ian H. Bell ◽

Eric W. Lemmon

Keyword(s):

Mixture Models ◽

Helmholtz Energy ◽

Interaction Parameters ◽

Binary Interaction ◽

Binary Interaction Parameters ◽

Automatic Fitting

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Comparison of mixing rules based on binary interaction parameters for calculating viscosity of crude oil blends

Fuel ◽

10.1016/j.fuel.2019.03.098 ◽

2019 ◽

Vol 249 ◽

pp. 198-205 ◽

Cited By ~ 2

Author(s):

Esaú A. Hernández ◽

Gabriela Sánchez-Reyna ◽

Jorge Ancheyta

Keyword(s):

Crude Oil ◽

Interaction Parameters ◽

Binary Interaction ◽

Mixing Rules ◽

Oil Blends ◽

Binary Interaction Parameters

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Calculating the Critical Properties of Multicomponent Mixtures Using the Soave–Redlich–Kwong (SRK) and Peng–Robinson (PR) Equations of State, Based on the Binary Interaction Parameters

Russian Journal of Physical Chemistry A ◽

10.1134/s0036024419040290 ◽

2019 ◽

Vol 93 (4) ◽

pp. 620-624

Author(s):

A. S. Vasilyev ◽

T. N. Gartman

Keyword(s):

Equations Of State ◽

Interaction Parameters ◽

Binary Interaction ◽

Critical Properties ◽

Multicomponent Mixtures ◽

Binary Interaction Parameters

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Vapor–Liquid Equilibrium Prediction of Refrigerant Mixtures with Peng–Robinson Equation of State and Binary Interaction Parameters Calculated Through Group Contribution Model

International Journal of Thermophysics ◽

10.1007/s10765-019-2592-3 ◽

2020 ◽

Vol 41 (2) ◽

Author(s):

Wen Su ◽

Siman Zhou ◽

Li Zhao ◽

Naijun Zhou

Keyword(s):

Equation Of State ◽

Group Contribution ◽

Interaction Parameters ◽

Binary Interaction ◽

Liquid Equilibrium ◽

Vapor Liquid Equilibrium ◽

Refrigerant Mixtures ◽

Binary Interaction Parameters ◽

Group Contribution Model ◽

Robinson Equation

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Identification of UNIQUAC binary interaction parameters in liquid-liquid equilibrium

Fluid Phase Equilibria ◽

10.1016/j.fluid.2020.112483 ◽

2020 ◽

Vol 510 ◽

pp. 112483

Author(s):

Sebastiano Tomassetti ◽

Giovanni Di Nicola ◽

Giulio Santori

Keyword(s):

Interaction Parameters ◽

Binary Interaction ◽

Liquid Equilibrium ◽

Binary Interaction Parameters

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Regression of binary interaction parameters for thermodynamic models using an inside-variance estimation method (IVEM)

Fluid Phase Equilibria ◽

10.1016/s0378-3812(00)00325-3 ◽

2000 ◽

Vol 170 (2) ◽

pp. 235-253 ◽

Cited By ~ 12

Author(s):

V.R Vasquez ◽

W.B Whiting

Keyword(s):

Variance Estimation ◽

Estimation Method ◽

Interaction Parameters ◽

Binary Interaction ◽

Thermodynamic Models ◽

Binary Interaction Parameters

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