Predictive evaluation of phase equilibria in biofuel systems using molecular thermodynamic models

The Journal of Supercritical Fluids(2016)

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摘要
⿢Predictive analysis of phase equilibria of biofuel systems using molecular models.⿢GC-PPC-SAFT and molecular simulation representing systems at low and high pressures.⿢Evaluation of different association schemes to describe the glycerol molecule.⿢Heat of mixing of different systems predicted by GC-PPC-SAFT.
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关键词
Biofuel,Low and high pressures,GC-PPC-SAFT,Molecular simulation
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