2 Organic Compounds, C1 to C57. Part 2, pp. 111-205

Am Beispiel der Hydroformylierung von Olefinen wurde die Modellierung von temperaturgesteuerten Lösungsmittelsystemen untersucht. Dazu werden Informationen über Flüssig/flüssig-und Gas/flüssig-Gleichgewichte sowie Grenzflächeneigenschaften benötigt. Es konnte gezeigt werden, dass die Perturbed Chain Polar Statistical Associating Fluid Theory (PCP-SAFT) in Kombination mit der Dichtegradiententheorie ein geeignetes Modellierungswerkzeug hierfür ist. Die Beschreibung der unterschiedlichen thermodynamischen Eigenschaften erfolgte mit einheitlichen Parametersätzen. Auch experimentelle Werte, die nicht bei der Parameteranpassung einbezogen wurden, konnten erfolgreich wiedergegeben werden. Somit ist eine zuverlässige Extrapolation auf nicht vermessene thermodynamische Zustände möglich ist.Liquid-liquid-und gas-liquid equilibria data as well as information on interfacial properties are needed to investigate the applicability of thermomorphic solvent systems to the hydroformylation of olefins. The perturbed chain polar statistical associating fluid theory (PCP-SAFT) combined with the density gradient theory was shown to be highly appropriate to calculate these data. Only one set of parameters for each component was necessary to describe the different thermodynamic properties. Thereby, also experimental data which were not involved in parameter fitting were reproduced successfully.That is, the modeling tool can be applied to reliably generate data for experimentally unexplored thermodynamic states.

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Simultaneous Modeling of Phase Equilibria and Interfacial Properties Using the PCP‐SAFT Model

Schäfer

Vogelpohl

Sadowski

et al. 2013

Chemie Ingenieur Technik

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Investigation of the Nucleation During Extrusion Cooking of Corn Starch by A Novel Nucleation Die

Horvat

Ladiges

Schuchmann

2013

Food Bioprocess Technol

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2 Organic Compounds, C1 to C57. Part 2, pp. 111-205

Cited by 2 publications

References 172 publications

Simultaneous Modeling of Phase Equilibria and Interfacial Properties Using the PCP‐SAFT Model

Simultaneous Modeling of Phase Equilibria and Interfacial Properties Using the PCP‐SAFT Model

Investigation of the Nucleation During Extrusion Cooking of Corn Starch by A Novel Nucleation Die

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