LrgpV1, Hal, Checkpoint, bibRecord, 000841

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 : 000841 ( Hal/Checkpoint ); précédent : 000840; suivant : 000842

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

Auteurs : Romain Privat [France] ; Jean-Noël Jaubert [France]

Source :

Fluid Phase Equilibria [ 0378-3812 ] ; 2012.

RBID : Hal:hal-00776884

Descripteurs français

Wicri :
- topic : Azote.

English descriptors

mix :
- Binary interaction parameters, CPA, Carbon dioxide, EQUATION-OF-STATE, EXTENSION, K(IJ), Mercaptan, Methane, Nitrogen, PENG-ROBINSON EOS, PHASE-EQUILIBRIA, PPR78, PREDICTIVE 1978, Predictive model, Sulfhydryl.

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 N-2. 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/N-2). For such systems, deviations observed with the PPR78 model are compared to those obtained with the CPA equation of state.

Url:

https://hal.archives-ouvertes.fr/hal-00776884

DOI: 10.1016/j.fluid.2012.08.007

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Links to Exploration step

Hal:hal-00776884

Le 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, CO2 and N-2. 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/N-2). 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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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

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

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Descripteurs français

English descriptors

Abstract

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