Addition of the sulfhydryl group (-SH) to the PPR78 model: Estimation of missing group-interaction parameters for systems containing mercaptans and carbon dioxide or nitrogen or methane, from newly published data
Identifieur interne : 000095 ( PascalFrancis/Corpus ); précédent : 000094; suivant : 000096Addition of the sulfhydryl group (-SH) to the PPR78 model: Estimation of missing group-interaction parameters for systems containing mercaptans and carbon dioxide or nitrogen or methane, from newly published data
Auteurs : Romain Privat ; Jean-Noël JaubertSource :
- Fluid phase equilibria [ 0378-3812 ] ; 2012.
Abstract
In 2008, the PPR78 model (Predictive Peng-Robinson 1978) was extended to mercaptan-containing systems by adding the sulfhydryl group (-SH), that is, by determining the values of the group-interaction parameters between the group -SH and the fourteen other groups already present in the PPR78 model. Unfortunately, due to a lack of experimental data reported in the open literature, it was not possible to characterize interactions between the group -SH and the three groups: ethane, CO2 and N2. Very recently, vapor-liquid equilibrium data for three binary systems containing methanethiol and respectively methane, nitrogen and carbon dioxide were however measured. It was thus decided to use these data to estimate two of the missing group-interaction parameters (-SH/CO2 and -SH/N2). For such systems, deviations observed with the PPR78 model are compared to those obtained with the CPA equation of state.
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NO : | PASCAL 12-0432473 INIST |
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ET : | Addition of the sulfhydryl group (-SH) to the PPR78 model: Estimation of missing group-interaction parameters for systems containing mercaptans and carbon dioxide or nitrogen or methane, from newly published data |
AU : | PRIVAT (Romain); JAUBERT (Jean-Noël) |
AF : | Université de Lorraine - Ecole Nationale Supérieure des Industries Chimiques (ENSIC), Laboratoire Réactions et Genie des Procédés (UPR CNRS 3349), 1 rue Grandville, B.P. 20451/54001 Nancy/France (1 aut., 2 aut.) |
DT : | Publication en série; Courte communication, note brève; Niveau analytique |
SO : | Fluid phase equilibria; ISSN 0378-3812; Coden FPEQDT; Pays-Bas; Da. 2012; Vol. 334; Pp. 197-203; Bibl. 18 ref. |
LA : | Anglais |
EA : | In 2008, the PPR78 model (Predictive Peng-Robinson 1978) was extended to mercaptan-containing systems by adding the sulfhydryl group (-SH), that is, by determining the values of the group-interaction parameters between the group -SH and the fourteen other groups already present in the PPR78 model. Unfortunately, due to a lack of experimental data reported in the open literature, it was not possible to characterize interactions between the group -SH and the three groups: ethane, CO2 and N2. Very recently, vapor-liquid equilibrium data for three binary systems containing methanethiol and respectively methane, nitrogen and carbon dioxide were however measured. It was thus decided to use these data to estimate two of the missing group-interaction parameters (-SH/CO2 and -SH/N2). For such systems, deviations observed with the PPR78 model are compared to those obtained with the CPA equation of state. |
CC : | 001C01C01 |
LO : | INIST-17569.354000509593610230 |
ID : | 12-0432473 |
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Pascal:12-0432473Le document en format XML
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<front><div type="abstract" xml:lang="en">In 2008, the PPR78 model (Predictive Peng-Robinson 1978) was extended to mercaptan-containing systems by adding the sulfhydryl group (-SH), that is, by determining the values of the group-interaction parameters between the group -SH and the fourteen other groups already present in the PPR78 model. Unfortunately, due to a lack of experimental data reported in the open literature, it was not possible to characterize interactions between the group -SH and the three groups: ethane, CO<sub>2</sub>
and N<sub>2</sub>
. Very recently, vapor-liquid equilibrium data for three binary systems containing methanethiol and respectively methane, nitrogen and carbon dioxide were however measured. It was thus decided to use these data to estimate two of the missing group-interaction parameters (-SH/CO<sub>2</sub>
and -SH/N<sub>2</sub>
). For such systems, deviations observed with the PPR78 model are compared to those obtained with the CPA equation of state.</div>
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and N<sub>2</sub>
. Very recently, vapor-liquid equilibrium data for three binary systems containing methanethiol and respectively methane, nitrogen and carbon dioxide were however measured. It was thus decided to use these data to estimate two of the missing group-interaction parameters (-SH/CO<sub>2</sub>
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<ET>Addition of the sulfhydryl group (-SH) to the PPR78 model: Estimation of missing group-interaction parameters for systems containing mercaptans and carbon dioxide or nitrogen or methane, from newly published data</ET>
<AU>PRIVAT (Romain); JAUBERT (Jean-Noël)</AU>
<AF>Université de Lorraine - Ecole Nationale Supérieure des Industries Chimiques (ENSIC), Laboratoire Réactions et Genie des Procédés (UPR CNRS 3349), 1 rue Grandville, B.P. 20451/54001 Nancy/France (1 aut., 2 aut.)</AF>
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<EA>In 2008, the PPR78 model (Predictive Peng-Robinson 1978) was extended to mercaptan-containing systems by adding the sulfhydryl group (-SH), that is, by determining the values of the group-interaction parameters between the group -SH and the fourteen other groups already present in the PPR78 model. Unfortunately, due to a lack of experimental data reported in the open literature, it was not possible to characterize interactions between the group -SH and the three groups: ethane, CO<sub>2</sub>
and N<sub>2</sub>
. Very recently, vapor-liquid equilibrium data for three binary systems containing methanethiol and respectively methane, nitrogen and carbon dioxide were however measured. It was thus decided to use these data to estimate two of the missing group-interaction parameters (-SH/CO<sub>2</sub>
and -SH/N<sub>2</sub>
). For such systems, deviations observed with the PPR78 model are compared to those obtained with the CPA equation of state.</EA>
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