An analytical equation of state for ammonia at high temperatures and high pressures

被引：3

作者：

Jahangiri, Soran ^{[1
]}

Behnejad, Hassan ^{[1
]}

机构：

[1] Univ Tehran, Univ Coll Sci, Sch Chem, Dept Phys Chem, Tehran 14155, Iran

来源：

JOURNAL OF MOLECULAR LIQUIDS | 2016年 / 222卷

关键词：

Equation of state; Ammonia; High temperature; High pressure; VOLUMETRIC PROPERTIES; THERMODYNAMIC PROPERTIES; NONPOLAR FLUIDS; IONIC LIQUIDS; WATER; MIXTURES; CLOUDS; PREDICTION; REFRIGERANTS; CONSTANTS;

D O I：

10.1016/j.molliq.2016.07.034

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

An analytical equation of state is presented for ammonia to describe its thermodynamic properties over wide ranges of temperatures and pressures up to 3000 K and 20 GPa, respectively. The equation of state contains well-defined parameters, two of which have been slightly adjusted around their global values based on a limited set of experimental data. The properties of ammonia predicted by the new equation of state are in very good agreement with the experimental data and the first-principles molecular dynamics simulation results over a broad range of temperatures and pressures. The new equation of state is expected to supplement molecular simulations at conditions where experimental data are not yet available. (C) 2016 Elsevier B.V. All rights reserved.

引用

页码：733 / 738

页数：6

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