Perturbation theory of polar Kihara molecule mixtures applied to supercritical fluid extraction systems

Literature Information

Publication Date 2002-02-26
DOI 10.1039/B108703G
Impact Factor 3.676
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Abstract

Perturbation theory of non-spherical polar molecule systems is applied to characterize the carbon dioxide/6-caprolactam system at conditions of supercritical fluid extraction (SFE). Two aspects of the application of the perturbation theory on the SFE systems is discussed: self-consistency of the hard convex body equations of state (in the colloidal limit), and the way of determining the electrostatic contributions to the Helmholtz energy of molecules of non-spherical convex shape with embedded permanent multipole moments. The perturbation method is applied to determine phase equilibria in the system carbon dioxide/6-caprolactam at temperatures T = 307, 314 and 324 K. The dependence of the mole fraction of solute on pressure at the mentioned temperatures is compared with experimental data and with the correlation results obtained by applying the Peng–Robinson equation of state. A fair agreement of theoretical characteristics with experimental data is found.

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Front cover

Cover

DOI: 10.1039/D0OB90053B

Contents list

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Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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