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预测方法与电解质状态方程的当前趋势

Current Trends in Predictive Methods and Electrolyte Equations of State.

作者信息

Costa Reis Martina

机构信息

School of Engineering, University of São Paulo, São Paulo 05508-000, Brazil.

出版信息

ACS Omega. 2022 May 12;7(20):16847-16855. doi: 10.1021/acsomega.2c00168. eCollection 2022 May 24.

Abstract

Over the past 20-30 years, the development of thermodynamic models for electrolyte solutions has experienced remarkable progress. While in the first half of the 20th century, the thermodynamic models were essentially based on the continuum electrostatic approach, nowadays equations of state and predictive methods have been adapted to deal with electrolyte solutions. Given this panorama, in this mini-review, the recent advances in predictive methods and electrolyte equations of state are examined, as well as their performance in predicting activity coefficients and solid-liquid phase equilibrium data. Although this mini-review aims to shed light on the current progress in predictive methods and electrolyte equations of state, it also provides valuable references and information to the several models and theories that form the backbone of the thermodynamics of electrolyte solutions.

摘要

在过去的20到30年里,电解质溶液热力学模型的发展取得了显著进展。在20世纪上半叶,热力学模型基本上基于连续介质静电方法,而如今状态方程和预测方法已被用于处理电解质溶液。鉴于此,在本综述中,我们考察了预测方法和电解质状态方程的最新进展,以及它们在预测活度系数和固液相平衡数据方面的表现。尽管本综述旨在阐明预测方法和电解质状态方程的当前进展,但它也为构成电解质溶液热力学基础的几种模型和理论提供了有价值的参考和信息。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fa45/9134406/010db135b748/ao2c00168_0001.jpg

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