Study on adaptability of molecular dynamics in predicting density and viscosity of natural gas

被引：0

作者：

Wu F. ^{[1
]}

Peng X. ^{[1
]}

Jiang J. ^{[1
]}

Meng X. ^{[1
]}

Liang Y. ^{[1
]}

机构：

[1] College of Mechanical Engineering, Zhejiang University of Technology, Zhejiang, Hangzhou

来源：

Huagong Xuebao/CIESC Journal | 2024年 / 75卷 / 02期

关键词：

density; mixtures; molecular simulation; natural gas; viscosity;

D O I：

10.11949/0438-1157.20231028

中图分类号：

学科分类号：

摘要：

Natural gas is a kind of relatively clean and low-carbon energy, the proportion of primary energy consumption in China continues to increase, and its accurate physical property prediction plays an important role in the process of natural gas gathering, transportation and utilization. By collecting the measured data of natural gas properties at different temperature and pressure in literature, we compared and analyzed the prediction accuracy of molecular dynamics simulations and commonly used empirical models to calculate the density and viscosity of natural gas, and clarified the best physical property prediction models suitable for natural gas with different compositions. The results show that molecular dynamics simulation has strong applicability in predicting the viscosity of natural gas, especially at high temperature and pressure, when the temperature is 444.4 K, the average absolute error is less than 5%. For natural gas density, it is more suitable to use the relatively mature empirical model, while several force field models using molecular dynamics simulation methods are not accurate in predicting it. In addition, the accuracy of the prediction model of natural gas density and viscosity is not only affected by the temperature and pressure range, but also by the composition of natural gas. © 2024 Materials China. All rights reserved.

引用

页码：450 / 462

页数：12

共 40 条

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