A Reference Equation of State with an Associating Term for the Thermodynamic Properties of Ammonia

IF 4.4 2区工程技术 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of Physical and Chemical Reference Data Pub Date : 2023-03-01 DOI:10.1063/5.0128269

Kehui Gao, Jiangtao Wu, I. Bell, A. Harvey, E. Lemmon

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引用次数: 1

Abstract

Fluid ammonia is highly associated because of strong intermolecular hydrogen bonding. This causes different behavior of thermophysical properties from nonpolar fluids, as reflected, for example, in the heat capacity. In this work, a new equation of state explicit in the Helmholtz energy with independent variables of temperature and density was developed, which includes a new associating term. Its uncertainties in density, vapor pressure, saturated liquid and vapor densities, and caloric properties were estimated by comparisons with experimental data. The new equation of state is valid from the triple-point temperature (195.49 K) to 725 K at pressures up to 1000 MPa and densities up to 53.13 mol dm−3. Physically correct behavior within the region of validity and at extremely high temperatures and pressures, and at temperatures far below the triple-point temperature, was obtained by applying constraints on various properties. The unique physical behavior of ammonia shown in some thermodynamic properties is described in detail, which will provide a preliminary template for developing equations of state for other associating fluids.

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氨热力学性质的参考状态方程及相关项

由于分子间氢键很强，所以液态氨的相关性很强。这导致了非极性流体的热物理性质的不同行为，例如，反映在热容上。本文建立了一个新的以温度和密度为自变量的亥姆霍兹能量显式状态方程，其中包含了一个新的关联项。通过与实验数据的比较，估计了其密度、蒸汽压、饱和液体和蒸汽密度以及热学性能的不确定性。在压力为1000 MPa，密度为53.13 mol dm−3的条件下，新的状态方程在点温度(195.49 K)至725 K范围内有效。在有效范围内，在极高的温度和压力下，以及在远低于三点温度的温度下，通过对各种性质施加约束，获得了物理上正确的行为。详细描述了氨在某些热力学性质中所显示的独特物理行为，这将为建立其他伴合流体的状态方程提供初步模板。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of Physical and Chemical Reference Data 化学-化学综合

CiteScore

6.90

自引率

11.60%

发文量

审稿时长

>12 weeks

期刊介绍： The Journal of Physical and Chemical Reference Data (JPCRD) is published by AIP Publishing for the U.S. Department of Commerce National Institute of Standards and Technology (NIST). The journal provides critically evaluated physical and chemical property data, fully documented as to the original sources and the criteria used for evaluation, preferably with uncertainty analysis. Critical reviews may also be included if they document a reference database, review the data situation in a field, review reference-quality measurement techniques, or review data evaluation methods.