Excess Thermodynamic Properties of Chainlike Mixtures. 1. Predictions from theSoft−SAFT Equation of State and Molecular Simulation
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چکیده
منابع مشابه
Excess Thermodynamic Properties of Chainlike Mixtures. 1. Predictions from the Soft-SAFT Equation of State and Molecular Simulation
Monte Carlo simulation and theory are used to calculate excess thermodynamic properties of binary mixtures of Lennard-Jones chains. Chainlike molecules are formed by Lennard-Jones spherical sites that are tangentially bonded. This molecular model accounts explictly for the most important microscopic features of real chainlike molecules, such as n-alkanes: repulsive and attractive forces between...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry B
سال: 2000
ISSN: 1520-6106,1520-5207
DOI: 10.1021/jp001346z