Temperature-Dependent Estimation of Gibbs Energies Using an Updated Group-Contribution Method

Biophysical Journal ◽

10.1016/j.bpj.2018.04.030 ◽

2018 ◽

Vol 114 (11) ◽

pp. 2691-2702 ◽

Author(s):

Bin Du ◽

Zhen Zhang ◽

Sharon Grubner ◽

James T. Yurkovich ◽

Bernhard O. Palsson ◽

...

Keyword(s):

Group Contribution ◽

Group Contribution Method ◽

Temperature Dependent ◽

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Solubility of CO2 in branched alkanes in order to extend the PPR78 model (predictive 1978, Peng–Robinson EOS with temperature-dependent kij calculated through a group contribution method) to such systems

Fluid Phase Equilibria ◽

10.1016/j.fluid.2005.10.001 ◽

2005 ◽

Vol 238 (2) ◽

pp. 157-168 ◽

Author(s):

Fabrice Mutelet ◽

Stéphane Vitu ◽

Romain Privat ◽

Jean-Noël Jaubert

Keyword(s):

Group Contribution ◽

Group Contribution Method ◽

Temperature Dependent ◽

Branched Alkanes

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05/01899 VLE predictions with the Peng-Robinsonequation of state and temperature dependent kij calculated through a group contribution method

Fuel and Energy Abstracts ◽

10.1016/s0140-6701(05)81906-x ◽

2005 ◽

Vol 46 (4) ◽

pp. 277

Keyword(s):

Group Contribution ◽

Group Contribution Method ◽

Temperature Dependent

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Addition of the sulfhydryl group (–SH) to the PPR78 model (predictive 1978, Peng–Robinson EOS with temperature dependent kij calculated through a group contribution method)

The Journal of Chemical Thermodynamics ◽

10.1016/j.jct.2008.05.013 ◽

2008 ◽

Vol 40 (9) ◽

pp. 1331-1341 ◽

Author(s):

Romain Privat ◽

Jean-Noël Jaubert ◽

Fabrice Mutelet

Keyword(s):

Sulfhydryl Group ◽

Group Contribution ◽

Group Contribution Method ◽

Temperature Dependent

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Extension of the PPR78 model (predictive 1978, Peng–Robinson EOS with temperature dependent kij calculated through a group contribution method) to systems containing aromatic compounds

Fluid Phase Equilibria ◽

10.1016/j.fluid.2005.09.003 ◽

2005 ◽

Vol 237 (1-2) ◽

pp. 193-211 ◽

Author(s):

Jean-Noël Jaubert ◽

Stéphane Vitu ◽

Fabrice Mutelet ◽

Jean-Pierre Corriou

Keyword(s):

Aromatic Compounds ◽

Group Contribution ◽

Group Contribution Method ◽

Temperature Dependent

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VLE predictions with the Peng–Robinson equation of state and temperature dependent kij calculated through a group contribution method

Fluid Phase Equilibria ◽

10.1016/j.fluid.2004.06.059 ◽

2004 ◽

Vol 224 (2) ◽

pp. 285-304 ◽

Author(s):

Jean-Noël Jaubert ◽

Fabrice Mutelet

Keyword(s):

Equation Of State ◽

Group Contribution ◽

Group Contribution Method ◽

Temperature Dependent ◽

Robinson Equation

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Extension of the PPR78 model (Predictive 1978, Peng–Robinson EOS with temperature dependent kij calculated through a group contribution method) to systems containing naphtenic compounds

Fluid Phase Equilibria ◽

10.1016/j.fluid.2006.02.004 ◽

2006 ◽

Vol 243 (1-2) ◽

pp. 9-28 ◽

Author(s):

Stéphane Vitu ◽

Jean-Noël Jaubert ◽

Fabrice Mutelet

Keyword(s):

Group Contribution ◽

Group Contribution Method ◽

Temperature Dependent

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Phase equilibria in hydrogen-containing binary systems modeled with the Peng–Robinson equation of state and temperature-dependent binary interaction parameters calculated through a group-contribution method

The Journal of Supercritical Fluids ◽

10.1016/j.supflu.2012.12.014 ◽

2013 ◽

Vol 75 ◽

pp. 58-71 ◽

Author(s):

Jun-Wei Qian ◽

Jean-Noël Jaubert ◽

Romain Privat

Keyword(s):

Equation Of State ◽

Phase Equilibria ◽

Binary Systems ◽

Group Contribution ◽

Interaction Parameters ◽

Binary Interaction ◽

Group Contribution Method ◽

Temperature Dependent ◽

Binary Interaction Parameters ◽

Robinson Equation

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Estimating the Temperature-Dependent Surface Tension of Ionic Liquids Using a Neural Network-Based Group Contribution Method

Industrial & Engineering Chemistry Research ◽

10.1021/acs.iecr.7b01233 ◽

2017 ◽

Vol 56 (23) ◽

pp. 6869-6886 ◽

Author(s):

Juan A. Lazzús ◽

Fernando Cuturrufo ◽

Geraldo Pulgar-Villarroel ◽

Ignacio Salfate ◽

Pedro Vega

Keyword(s):

Neural Network ◽

Surface Tension ◽

Ionic Liquids ◽

Group Contribution ◽

Group Contribution Method ◽

Temperature Dependent

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New Group-Contribution Method for Predicting Temperature-Dependent Properties of Pure Organic Compounds

International Journal of Thermophysics ◽

10.1007/s10765-005-8092-7 ◽

2005 ◽

Vol 26 (5) ◽

pp. 1369-1388 ◽

Author(s):

E. Stefanis ◽

L. Constantinou ◽

I. Tsivintzelis ◽

C. Panayiotou

Keyword(s):

Organic Compounds ◽

Group Contribution ◽

Group Contribution Method ◽

Temperature Dependent ◽

Temperature Dependent Properties

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Prediction of Partition Coefficients of Organic Compounds in Ionic Liquids Using a Temperature-Dependent Linear Solvation Energy Relationship with Parameters Calculated through a Group Contribution Method

Journal of Chemical & Engineering Data ◽

10.1021/je200454d ◽

2011 ◽

Vol 56 (9) ◽

pp. 3598-3606 ◽

Author(s):

Fabrice Mutelet ◽

Virginia Ortega-Villa ◽

Jean-Charles Moïse ◽

Jean-Noël Jaubert ◽

William E. Acree

Keyword(s):

Ionic Liquids ◽

Organic Compounds ◽

Partition Coefficients ◽

Solvation Energy ◽

Group Contribution ◽

Group Contribution Method ◽

Temperature Dependent ◽

Linear Solvation Energy Relationship ◽

Linear Solvation Energy ◽

Linear Solvation

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