作者: Stephan Korden , Nguyen Van Nhu , Jadran Vrabec , Joachim Gross , Kai Leonhard
DOI: 10.1080/1539445X.2011.599701
关键词:
摘要: For predictive applications, equation of state (EOS) models have to describe all relevant physical interactions accurately. In this contribution, the vapor–liquid equilibria various dipolar two-center Lennard-Jones model molecules are determined by molecular simulation, as function elongation and deflection angle dipole. It is shown that present PC-SAFT-based EOS require additional adjustable parameters in order orientational effects dipole-moment. We extensions avoid apply extended equations systems real molecules.