海南师范大学学报（自然科学版）2024，Vol.37Issue(1)：65-69,5.DOI:10.12051/j.issn.1674-4942.2024.01.008
不同温度下二氧化硫与乙烷水合物体系的模拟研究
Simulation of Sulfur Dioxide and Ethane Hydrate Systems at Different Temperatures
摘要
Abstract
Molecular dynamics simulations were used to study the variation of sulfur dioxide and ethane hydrate systems at different temperatures of 275,285,295 and 305 K under the pressure condition of 10 MPa.The diffusion coefficients of sul-fur dioxide,ethane,and water were predicted,and structural properties such as density,hydrogen bonding number,and co-ordination number were explored.The results showed that water was more influenced by temperature,and sulfur dioxide was more easily combined with water,while ethane was crowded out by water and sulfur dioxide and accumulates in large quantities to achieve the purpose of collecting and displacing ethane.关键词
二氧化硫/乙烷/水/分子动力学模拟/扩散系数Key words
sulfur dioxide/ethane/water/molecular dynamics simulation/diffusion coefficients分类
化学化工引用本文复制引用
张文宇,刘子西,赵漫,谢秋云,冯华杰..不同温度下二氧化硫与乙烷水合物体系的模拟研究[J].海南师范大学学报（自然科学版）,2024,37(1):65-69,5.基金项目
国家自然科学基金项目(22063003) （22063003）
海南省自然科学基金项目(221MS0771) （221MS0771）
海南师范大学大学生创新创业训练计划项目 （）
