离子液体高压密度预测的涨落状态方程。
A Fluctuation Equation of State for Prediction of High-Pressure Densities of Ionic Liquids.
机构信息
Institute of Chemistry, Department of Physical Chemistry, University of Silesia in Katowice, Szkolna 9, 40-006, Katowice, Poland.
Department of Theoretical Physics, Kursk State University, Radishcheva st., 33, 305000, Kursk, Russia.
出版信息
Sci Rep. 2017 Jul 17;7(1):5563. doi: 10.1038/s41598-017-06225-9.
During this work, we demonstrate, for the first time, that the volumetric properties of pure ionic liquids could be truly predicted as a function of temperature from 219 K to 473 K and pressure up to 300 MPa. This has been achieved by using only density and isothermal compressibility data at atmospheric pressure through the Fluctuation Theory-based Tait-like Equation of State (FT-EoS). The experimental density data of 80 different ionic liquids, described in the literature by several research groups as a function of temperature and pressure, was then used to provide comparisons. Excellent predictive capability of FT-EoS was observed with an overall relative absolute average deviation close to 0.14% for the 15,298 data points examined during this work.
在这项工作中，我们首次证明，纯离子液体的体积性质可以根据温度从 219 K 到 473 K 和压力高达 300 MPa 进行真正预测。这是通过仅使用在大气压下的密度和等温压缩率数据，通过基于涨落理论的泰特型状态方程 (FT-EoS) 实现的。然后，使用文献中由多个研究小组描述的 80 种不同离子液体的实验密度数据，作为温度和压力的函数，进行了比较。FT-EoS 具有出色的预测能力，在这项工作中检查的 15,298 个数据点的总体相对绝对平均偏差接近 0.14%。
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