不同气体浓度下二氧化碳在水中的高浓度亚稳态溶液形成水合物的理论研究

IF 1.3 4区工程技术 Q3 ENGINEERING, MECHANICAL

Journal of Engineering Thermophysics Pub Date : 2023-11-08 DOI:10.1134/S1810232823030074

K. V. Gets, R. K. Zhdanov, Y. Y. Bozhko, O. S. Subbotin, V. R. Belosludov

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引用次数: 0

摘要

这项工作研究了在均匀非平衡溶液中观察到气体水合物生长的一系列二氧化碳浓度。采用分子动力学方法进行了研究。势能、四面体序参数F3和水合物空腔数量的计算表明，在二氧化碳浓度为4.94–12.20 mol时，会出现稳定的增长。 %. 在较低浓度下，在所考虑的时间间隔内，溶液的结构没有显著变化。在过饱和溶液中二氧化碳浓度较高时，观察到分离为气相和饱和溶液。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Theoretical Study of Formation of Hydrates from High-Concentration Metastable Solution of Carbon Dioxide in Water at Various Gas Concentrations

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Theoretical Study of Formation of Hydrates from High-Concentration Metastable Solution of Carbon Dioxide in Water at Various Gas Concentrations

This work presents a study of a range of carbon dioxide concentrations at which gas hydrate growth is observed in a homogeneous nonequilibrium solution. The study was done by the method of molecular dynamics. Calculation of the potential energy, tetrahedral order parameter F₃ and the number of hydrate cavities has shown that a steady growth occurs at carbon dioxide concentrations of 4.94–12.20 mol. %. At lower concentrations, there are no significant changes in the structure of the solution over the considered time interval. At higher concentrations of carbon dioxide in a supersaturated solution, separation into the gas phase and saturated solution is observed.

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来源期刊

Journal of Engineering Thermophysics THERMODYNAMICS-ENGINEERING, MECHANICAL

CiteScore

2.30

自引率

12.50%

发文量

审稿时长

3 months

期刊介绍： Journal of Engineering Thermophysics is an international peer reviewed journal that publishes original articles. The journal welcomes original articles on thermophysics from all countries in the English language. The journal focuses on experimental work, theory, analysis, and computational studies for better understanding of engineering and environmental aspects of thermophysics. The editorial board encourages the authors to submit papers with emphasis on new scientific aspects in experimental and visualization techniques, mathematical models of thermophysical process, energy, and environmental applications. Journal of Engineering Thermophysics covers all subject matter related to thermophysics, including heat and mass transfer, multiphase flow, conduction, radiation, combustion, thermo-gas dynamics, rarefied gas flow, environmental protection in power engineering, and many others.