化工学报2024，Vol.75Issue(2)：450-462,13.DOI:10.11949/0438-1157.20231028
分子动力学模拟预测天然气密度和黏度的可行性研究
Study on adaptability of molecular dynamics in predicting density and viscosity of natural gas
摘要
Abstract
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.关键词
天然气/混合物/密度/黏度/分子模拟Key words
natural gas/mixtures/density/viscosity/molecular simulation分类
能源科技引用本文复制引用
吴凡,彭旭东,江锦波,孟祥铠,梁杨杨..分子动力学模拟预测天然气密度和黏度的可行性研究[J].化工学报,2024,75(2):450-462,13.基金项目
国家自然科学基金项目(52076195,52075491) （52076195,52075491）
浙江省自然科学基金项目(LD21E050002) （LD21E050002）
