Vapour-liquid equilibrium data for synthetic hydrocarbon mixtures. Application to modelling of migration from source to reservoir rocks

Roy, Stephanie; Béhar, E.; Ungerer, Philippe

doi:10.1016/s0378-3812(97)00063-0

Cited by 11 publications

(5 citation statements)

References 26 publications

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“…Research on aromatics has mainly dealt with the liquid phase or transport properties of the lighter compounds. – For example, benzene and toluene are known to be good solvents for wax deposits and have been studied in binary mixtures , and in more complex systems . However on heavier compounds, particularly n -alkylbenzenes with more than 16 carbon atoms, recent research is very limited: Dorset released the crystallographic structure of 1-phenyloctadecane and of 1-phenylnonadecane, which has also been mentioned by Sirota et al In the field of solid−liquid phase equilibria (SLE), Flöter et al , have studied ( P , T ) diagrams of binary systems including 1-phenyldodecane.…”

Section: Introductionmentioning

confidence: 99%

Solid−Liquid Equilibria under High Pressure of Nine Puren-Alkylbenzenes

et al. 2007

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The melting temperatures of nine n-alkylbenzenes (undecylbenzene, dodecylbenzene, tridecylbenzene, tetradecylbenzene, pentadecylbenzene, hexadecylbenzene, heptadecylbenzene, octadecylbenzene, and nonadecylbenzene) were measured by means of a high-pressure microscope up to 100 MPa. The experimental device used in this work allowed the distinction between stable and metastable solid phases. The influences of the alkyl chain length and pressure on the melting temperatures of the stable solid phases are discussed.

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Section: Introductionmentioning

confidence: 99%

Solid−Liquid Equilibria under High Pressure of Nine Puren-Alkylbenzenes

et al. 2007

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“…It also showed that the heavy hydrocarbons had the effect of considerably increasing the saturation pressures. These observations were not really surprising, because they fitted into the logic of the behavior of methane-heavy hydrocarbon binary mixtures investigated experimentally at the University of Delft (van der Kooi, 1981;Glaser, Peters et al, 1985;Flöter, 1999), at IFP (Arnaud et al, 1996;LeRoy et al, 1997) and at the CNRS (Marteau et al, 1998). For example, we found the negative slope of the curve of appearance of a solid phase at high pressure in the (P, T), diagram, as it had been observed on methane rich binary mixtures (Fig.…”

Section: Phase Diagram Of Natural Gases Containing Heavy Hydrocarbonsmentioning

confidence: 69%

From Organic Geochemistry to Statistical Thermodynamics: the Development of Simulation Methods for the Petroleum Industry

Ungerer

2003

Oil & Gas Science and Technology - Rev. IFP

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Résumé -De la géochimie organique à la thermodynamique statistique : développement de méthodes de simulation pour l'industrie pétrolière -Le travail présenté constitue une synthèse des travaux auxquels l'auteur a contribué successivement dans trois domaines de recherche appliquée. Le premier de ces domaines est la géochimie organique pétrolière, qui se donne pour objectif de comprendre la formation des gisements pétroliers à partir d'analyses détaillées de la composition des combustibles fossiles, de simulations expérimentales en laboratoire par pyrolyse et de reconstitutions de l'histoire géologique des bassins sédimentaires concernés. Ces reconstitutions, qui impliquent la simulation mathématique de nombreux phénomènes couplés comme le craquage thermique, l'écoulement des fluides en milieux poreux, la sédimentation, la compaction des roches sédimentaires et les équilibres entre phases, ont été l'objet des principales contributions de l'auteur dans ce domaine. Les résultats obtenus à l'IFP dans les années 1980, dans le cadre d'un travail d'équipe pluridisciplinaire, ont fourni les bases à de nombreuses applications industrielles dans le cadre d'une discipline nouvelle, les modèles de bassin. Le deuxième de ces domaines est la thermodynamique pétrolière, où l'on s'attache à mesurer et à prédire les propriétés d'équilibre et de transport dans les procédés de production ou de traitement des pétroles bruts ou des gaz naturels. L'apport du travail présenté à ce domaine très vaste a été de caractériser des fluides pétroliers à haute pression, tant par la mise en évidence expérimentale des diagrammes de phase particuliers à certains fluides HP-HT que par la prédiction de leurs propriétés au moyen d'équations d'état. Il a permis aussi de comprendre plus précisément comment les équilibres de phase entre huile et gaz étaient susceptibles de modifier la composition des fluides pétroliers. Le troisième domaine d'étude abordé est la thermodynamique statistique, dont les applications connaissent depuis peu une forte croissance avec la généralisation de la simulation moléculaire. Les méthodes de Monte Carlo ou de dynamique moléculaire apportent non seulement une compréhension à l'échelle microscopique, mais aussi une prédiction plus fiable des propriétés d'équilibre et de transport dans de nombreux cas où les modèles macroscopiques classiques sont limités par leur caractère empirique. En s'appuyant cette fois sur une collaboration étroite avec une équipe universitaire, il a été possible de mettre en oeuvre des algorithmes améliorés et de développer un nouveau potentiel intermoléculaire afin de répondre aux besoins de l'industrie pétrolière. C'est ainsi que des applications effectives de la simulation moléculaire ont vu le jour dans le domaine du traitement des gaz riches

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“…Phase equilibria in the systems methane(1)–squalane(2) and methane(1)– n -dodecylbenzene(2). Pointsexperimental data, ,, solid linesCP-PC-SAFT ( k 12 = 0), dashed linesPC-SAFT ( k 12 = 0), and dotted-dotted-dashed linesPPR78.…”

Section: Resultsmentioning

confidence: 99%

“…Nanu et al provided the high-pressure VLE data in ethane(1) and propane(1)–squalane(2), de Loos et al reported those in ethylene(1)–squalane(2), and Joyce and Thies in n -hexane(1)–squalane(2). In the case of heavy alkylbenzenes, the high-pressure VLE of methane(1)– n -dodecylbenzene(2) was measured by Flöter et al and Le Roy et al The latter source also provided the saturated liquid densities of this system. The heavy cyclic compounds can be exemplified by cis -decalin, which consists of two fused cyclohexane rings.…”

Section: Introductionmentioning

confidence: 99%

“…Besides that, because PPR78 is a straightforward and effective model presenting a major interest for chemical engineering thermodynamics, it was also included in this study. Only six of the considered data sets ,,,− were used for evaluating its GC parameters, , while for nine of them, − ,,, it is predictive. The results of PC-SAFT, CP-PC-SAFT, and PR for vapor pressures, sound velocities, and isobaric hear capacities of squalane, n -dodecylbenzene, cis -decalin, tetralin, and naphthalene are compared in the Supporting Information.…”

Section: Introductionmentioning

confidence: 99%

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Comparison of CP-PC-SAFT and PC-SAFT with k₁₂ = 0 and PPR78 in Predicting Binary Systems of Hydrocarbons with Squalane, n-dodecylbenzene, cis-decalin, Tetralin, and Naphthalene at High Pressures

Chiko

Polishuk

2021

Ind. Eng. Chem. Res.

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This study compares accuracies of PC-SAFT and its critical point-based revision (CP-PC-SAFT) with k 12 = 0 along with the predictive 1978 Peng−Robinson EoS (PPR78) in estimating the available high-pressure phase equilibria data in binary systems of methane, ethylene, ethane, propane, and n-hexane with heavy branched, alkylbenzoic, bicyclic aliphatic and aromatic substances represented by squalane, n-dodecylbenzene, cis-decalin, tetralin, and naphthalene. Predictions of the pure compound properties of the considered heavy substances are evaluated as well. It is found that some data were predicted more accurately by CP-PC-SAFT and othersby Peng− Robinson EoS and PPR78. At the same time, the overall performance of PC-SAFT in predicting these data is found inferior in comparison with two other considered approaches.

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Vapour-liquid equilibrium data for synthetic hydrocarbon mixtures. Application to modelling of migration from source to reservoir rocks

Cited by 11 publications

References 26 publications

Solid−Liquid Equilibria under High Pressure of Nine Puren-Alkylbenzenes

Solid−Liquid Equilibria under High Pressure of Nine Puren-Alkylbenzenes

From Organic Geochemistry to Statistical Thermodynamics: the Development of Simulation Methods for the Petroleum Industry

Comparison of CP-PC-SAFT and PC-SAFT with k₁₂ = 0 and PPR78 in Predicting Binary Systems of Hydrocarbons with Squalane, n-dodecylbenzene, cis-decalin, Tetralin, and Naphthalene at High Pressures

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Vapour-liquid equilibrium data for synthetic hydrocarbon mixtures. Application to modelling of migration from source to reservoir rocks

Cited by 11 publications

References 26 publications

Solid−Liquid Equilibria under High Pressure of Nine Puren-Alkylbenzenes

Solid−Liquid Equilibria under High Pressure of Nine Puren-Alkylbenzenes

From Organic Geochemistry to Statistical Thermodynamics: the Development of Simulation Methods for the Petroleum Industry

Comparison of CP-PC-SAFT and PC-SAFT with k12 = 0 and PPR78 in Predicting Binary Systems of Hydrocarbons with Squalane, n-dodecylbenzene, cis-decalin, Tetralin, and Naphthalene at High Pressures

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Comparison of CP-PC-SAFT and PC-SAFT with k₁₂ = 0 and PPR78 in Predicting Binary Systems of Hydrocarbons with Squalane, n-dodecylbenzene, cis-decalin, Tetralin, and Naphthalene at High Pressures