Documents disponibles écrits par cet auteur

Addition of the hydrogen sulfide group to the PPR78 model (Predictive 1978, Peng–Robinson equation of state with temperature dependent kij calculated through a group contribution method) / Romain Privat ; Mutelet Fabrice ; Jaubert, Jean-Noël in Industrial & engineering chemistry research, Vol. 47 n°24 (Décembre 2008) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 47 n°24 (Décembre 2008) . - p. 10041–10052 Titre : Addition of the hydrogen sulfide group to the PPR78 model (Predictive 1978, Peng–Robinson equation of state with temperature dependent kij calculated through a group contribution method) Type de document : texte imprimé Auteurs : Romain Privat, Auteur ; Mutelet Fabrice, Auteur ; Jaubert, Jean-Noël, Auteur Année de publication : 2009 Article en page(s) : p. 10041–10052 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Hydrogen  Sulfide  PPR Résumé : In 2004, we started to develop the PPR78 model which is a group contribution method aimed at estimating the temperature dependent binary interaction parameters (kij(T)) for the widely used Peng–Robinson equation of state. In our previous papers, 13 groups were defined: CH3, CH2, CH, C, CH4 (methane), C2H6 (ethane), CHaro, Caro, Cfused_aromatic_rings, CH2,cyclic, CHcyclic or Ccyclic, CO2, and N2. It was thus possible to estimate the kij for any mixture containing alkanes, aromatics, naphthenes, carbon dioxide, and nitrogen whatever the temperature. In this study, the PPR78 model is extended to systems containing hydrogen sulfide. To do so, the group H2S was added. From a general overview on the results obtained from the whole constituted experimental data bank, one can see that the PPR78 model is able to quite accurately predict the behavior of the systems containing H2S. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie800799z [article] Addition of the hydrogen sulfide group to the PPR78 model (Predictive 1978, Peng–Robinson equation of state with temperature dependent kij calculated through a group contribution method) [texte imprimé] / Romain Privat, Auteur ; Mutelet Fabrice, Auteur ; Jaubert, Jean-Noël, Auteur . - 2009 . - p. 10041–10052. Industrial chemistry Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 47 n°24 (Décembre 2008) . - p. 10041–10052 Mots-clés : Hydrogen  Sulfide  PPR Résumé : In 2004, we started to develop the PPR78 model which is a group contribution method aimed at estimating the temperature dependent binary interaction parameters (kij(T)) for the widely used Peng–Robinson equation of state. In our previous papers, 13 groups were defined: CH3, CH2, CH, C, CH4 (methane), C2H6 (ethane), CHaro, Caro, Cfused_aromatic_rings, CH2,cyclic, CHcyclic or Ccyclic, CO2, and N2. It was thus possible to estimate the kij for any mixture containing alkanes, aromatics, naphthenes, carbon dioxide, and nitrogen whatever the temperature. In this study, the PPR78 model is extended to systems containing hydrogen sulfide. To do so, the group H2S was added. From a general overview on the results obtained from the whole constituted experimental data bank, one can see that the PPR78 model is able to quite accurately predict the behavior of the systems containing H2S. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie800799z

Thermodynamic modeling of mixtures containing carboxylic acids using the PC-SAFT equation of state / Chen Yushu in Industrial & engineering chemistry research, Vol. 51 N° 42 (Octobre 2012) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 51 N° 42 (Octobre 2012) . - pp. 13846-13852 Titre : Thermodynamic modeling of mixtures containing carboxylic acids using the PC-SAFT equation of state Type de document : texte imprimé Auteurs : Chen Yushu, Auteur ; Attia Afef, Auteur ; Mutelet Fabrice, Auteur Année de publication : 2012 Article en page(s) : pp. 13846-13852 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Thermodynamic  properties  Equations  of  state  Modeling Résumé : The aim of this work is to investigate whether the PC-SAFT (pertubed chain-statistical associating fluid theory) equation of state can describe the vapor―liquid equilibria for carboxylic acid-containing systems. Carboxylic acids, unlike many other associating compounds, have a strong tendency to dimerize in the vapor phase at normal conditions resulting in strong nonideal behavior at low pressures. In this work, we will focus on five binary systems {water + acetic acid}, {water + propionic acid}, {water + acrylic acid}, {acetic acid + propionic acid}, and {acetic acid + acrylic acid} due to their importance for chemical industries. The study was performed in a systematic method: first, the PC-SAFT equation has been applied to the pure carboxylic acid in order to determine the pure molecular parameters and then to the binary system. In this case, the interaction parameter k¡j was determined using liquid―vapor equilibria data. This work shows that the PC-SAFT equation of state is able to represent the pure carboxylic acid as well as mixtures containing carboxylic acid. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26508209 [article] Thermodynamic modeling of mixtures containing carboxylic acids using the PC-SAFT equation of state [texte imprimé] / Chen Yushu, Auteur ; Attia Afef, Auteur ; Mutelet Fabrice, Auteur . - 2012 . - pp. 13846-13852. Industrial chemistry Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 51 N° 42 (Octobre 2012) . - pp. 13846-13852 Mots-clés : Thermodynamic  properties  Equations  of  state  Modeling Résumé : The aim of this work is to investigate whether the PC-SAFT (pertubed chain-statistical associating fluid theory) equation of state can describe the vapor―liquid equilibria for carboxylic acid-containing systems. Carboxylic acids, unlike many other associating compounds, have a strong tendency to dimerize in the vapor phase at normal conditions resulting in strong nonideal behavior at low pressures. In this work, we will focus on five binary systems {water + acetic acid}, {water + propionic acid}, {water + acrylic acid}, {acetic acid + propionic acid}, and {acetic acid + acrylic acid} due to their importance for chemical industries. The study was performed in a systematic method: first, the PC-SAFT equation has been applied to the pure carboxylic acid in order to determine the pure molecular parameters and then to the binary system. In this case, the interaction parameter k¡j was determined using liquid―vapor equilibria data. This work shows that the PC-SAFT equation of state is able to represent the pure carboxylic acid as well as mixtures containing carboxylic acid. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26508209

Use of the PPR78 model to predict new equilibrium data of binary systems involving hydrocarbons and nitrogen / Romain Privat in Industrial & engineering chemistry research, Vol. 47 N°19 (Octobre 2008) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 47 N°19 (Octobre 2008) . - p. 7483–7489 Titre : Use of the PPR78 model to predict new equilibrium data of binary systems involving hydrocarbons and nitrogen : comparison with other GCEOS Type de document : texte imprimé Auteurs : Romain Privat, Auteur ; Jaubert, Jean-Noël, Auteur ; Mutelet Fabrice, Auteur Année de publication : 2008 Article en page(s) : p. 7483–7489 Note générale : Chemical engineering Langues : Anglais (eng) Mots-clés : PPR78  model  Nitrogen  Vapor-liquid  equilibrium  VTPR  model  PSRK  model Résumé : Very recently, Privat et al. decided to add the nitrogen group to the PPR78 model. However, during the writing of their paper, new VLE data were published on three binary systems containing nitrogen: N2 + methane, N2 + ethane, N2 + and n-decane (new data on the ethane + methane system were also published). In this research note, the capability of the PPR78 model to predict these data along with two ternary systems involving nitrogen, methane, ethane, and n-decane is checked. Comparison with two other predictive models, VTPR and PSRK, is also performed. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie800636h [article] Use of the PPR78 model to predict new equilibrium data of binary systems involving hydrocarbons and nitrogen : comparison with other GCEOS [texte imprimé] / Romain Privat, Auteur ; Jaubert, Jean-Noël, Auteur ; Mutelet Fabrice, Auteur . - 2008 . - p. 7483–7489. Chemical engineering Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 47 N°19 (Octobre 2008) . - p. 7483–7489 Mots-clés : PPR78  model  Nitrogen  Vapor-liquid  equilibrium  VTPR  model  PSRK  model Résumé : Very recently, Privat et al. decided to add the nitrogen group to the PPR78 model. However, during the writing of their paper, new VLE data were published on three binary systems containing nitrogen: N2 + methane, N2 + ethane, N2 + and n-decane (new data on the ethane + methane system were also published). In this research note, the capability of the PPR78 model to predict these data along with two ternary systems involving nitrogen, methane, ethane, and n-decane is checked. Comparison with two other predictive models, VTPR and PSRK, is also performed. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie800636h