The NRTL-PRA group contribution EoS for the simultaneous prediction of LLE, VLE and hE of hydrocarbon mixtures with associating compounds

Autor: Isabelle Raspo, Joan Escandell, Evelyne Neau

Publikováno v: Fluid Phase Equilibria
Fluid Phase Equilibria, 2016, 427, pp.126-142. ⟨10.1016/j.fluid.2016.06.035⟩
Fluid Phase Equilibria, Elsevier, 2016, 427, pp.126-142. ⟨10.1016/j.fluid.2016.06.035⟩

The goal of this study is to propose a modification of the NRTL-PR EoS for the prediction of phase equilibria and excess enthalpies in mixtures containing methanol with hydrocarbons; indeed, with these systems, the original equation is confronted to

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::825d1eac75fec7efaf13a98379145121
https://hal.science/hal-01369874/document

Modeling of Highly Nonideal Systems: 2. Prediction of High Pressure Phase Equilibria with the Group Contribution NRTL-PR EoS

Autor: Evelyne Neau, Joan Escandell, Christophe Nicolas

Publikováno v: Industrial and engineering chemistry research
Industrial and engineering chemistry research, 2010, 49 (16), pp.7589-7596. ⟨10.1021/ie101266x⟩
Industrial and engineering chemistry research, American Chemical Society, 2010, 49 (16), pp.7589-7596. ⟨10.1021/ie101266x⟩

International audience; The purpose of this study is to propose a simple cubic equation of state for the prediction of phase equilibria in highly non ideal systems. The NRTL-PR equation of state is based on the association of the Peng−Robinson EoS

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d6507546ec95f30f147bd228f0eb7854
https://doi.org/10.1021/ie101266x

The Soave, Twu and Boston–Mathias alpha functions in cubic equations of state

Autor: Joan Escandell, Otilio Hernández-Garduza, Evelyne Neau, Christophe Nicolas, Isabelle Raspo

Publikováno v: Fluid Phase Equilibria. 276:87-93

A theoretical analysis of the strengths and weaknesses of the Soave, Twu and Boston–Mathias attractive terms was performed with the Redlich–Kwong EoS. Special attention was paid to the variations of the alpha functions and their first and second

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::45a0f2a07b5e01675ef4b9df40cef244
https://doi.org/10.1016/j.fluid.2008.09.023

A new formulation of the predictive NRTL-PR model in terms of kij mixing rules. Extension of the group contributions for the modeling of hydrocarbons in the presence of associating compounds

Autor: Joan Escandell, Christophe Nicolas, Evelyne Neau

Publikováno v: Fluid Phase Equilibria
Fluid Phase Equilibria, Elsevier, 2011, 301 (1), pp.80-97. ⟨10.1016/j.fluid.2010.11.009⟩
Fluid Phase Equilibria, 2011, 301 (1), pp.80-97. ⟨10.1016/j.fluid.2010.11.009⟩

International audience; A generalized NRTL model was previously proposed for the modeling of non ideal systems and was extended to the prediction of phase equilibria under pressure according to the cubic NRTL-PR EoS. In this work, the model is reform

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::92e21ca0dfd3403fcb632c09c1c52c32
https://hal.archives-ouvertes.fr/hal-01464747

Modeling of highly nonideal systems: 1. A generalized version of the NRTL equation for the description of low-pressure equilibria

Autor: Joan Escandell, Evelyne Neau, Christophe Nicolas

Publikováno v: Industrial and engineering chemistry research
Industrial and engineering chemistry research, American Chemical Society, 2010, 49 (16), pp.7580-7588. ⟨10.1021/ie100121c⟩
Industrial and engineering chemistry research, 2010, 49 (16), pp.7580-7588. ⟨10.1021/ie100121c⟩

International audience; The topic of the present work is the development of a simple model for the description of phase equilibria occurring in nonideal systems, such as those containing size-asymmetric components or mixtures made of polar or associa

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d895a18d4cda5f7af8118026e24e200a
https://hal.archives-ouvertes.fr/hal-01025255