A general treatment of polar-polarizable systems for an equation of state

Alsaifi Nayef M.; Patey G. N.; Englezos Peter

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A general treatment of polar-polarizable systems for an equation of state

机译：一般polar-polarizable系统的治疗状态方程

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In this work, a general theory to account for any kind of polarization arising from polar as well as ions induced interactions in fluid mixtures is proposed. The general treatment is based on the self-consistent mean field theory (SCMF) that was originally proposed and applied for pure components using integral equation theories and molecular simulation studies. The extended SCMF is consistent with theory-based equations of state applied to hard chain mixtures. The theory is extended to mixtures and compared to molecular simulation data. The comparison to molecular simulation data shows good to excellent results for phase co-existence properties, energy and effective dipole moment. The validity of the theory is demonstrated by studying VLE of highly non-ideal mixtures of aldehyde and ketones using statistical association fluid theory. (C) 2014 The Institution of Chemical Engineers. Published by Elsevier B.V. All rights reserved.

机译：在这项工作中,一般理论来解释种极化引起的极地离子诱导相互作用在液体混合物中建议。自洽平均场理论(SCMF)最初提出了纯粹和应用使用积分方程理论和组件分子模拟研究。基于理论的方程是一致的吗应用于硬链混合状态。扩展的混合物,分子相比呢模拟数据。仿真结果数据显示“好到极好”相共存的属性,能源和有效的偶极矩。理论证明通过研究呋喃的高度醛和酮使用的非理想混合物统计协会流体理论。化学工程师的机构。由爱思唯尔帐面价值保留所有权利。

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《Chemical Engineering Research & Design: Transactions of the Institution of Chemical Engineers》 |2014年第12期|2936-2946|共11页
作者
Alsaifi Nayef M.; Patey G. N.; Englezos Peter;
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作者单位

Univ British Columbia, Dept Chem, Vancouver, BC V6T 1Z1, Canada;

King Fand Univ Petr & Minerals, Dept Chem Engn, Dhahran, Saudi Arabia;

Univ British Columbia, Dept Chem & Biol Engn, Vancouver, BC V6T 1Z3, Canada;

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正文语种英语
中图分类国际共产主义运动;
关键词
general treatment; aldehydes; mixturesequations of statePolarizationtheoriessimulated data;

机译：一般治疗;醛类;mixturesequationsstatePolarizationtheoriessimulated数据;

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A general treatment of polar-polarizable systems for an equation of state

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