论文成果

Effect of ethanol concentration on methane hydrate decomposition: MD simulation insights

摘要:

The controllability of mining is a key factor affecting the commercial application of methane hydrates, and the addition of chemical additives can significantly accelerate the mining process. However, the effect of additive concentration on hydrate decomposition is not yet well understood. In this study, we systematically investigate the effect of ethanol concentration on the decomposition of methane hydrate under varying thermodynamic conditions using molecular dynamics (MD) simulations. To quantitatively characterize the decomposition process and mechanism of methane hydrates, the combination of angular order parameter (AOP), radial distribution function (RDF), mean square displacement (MSD), diffusion coefficients and system energy was for the first time used. The results showed that the addition of ethanol contributed to the formation of methane bubbles and accelerated the decomposition of hydrates. The mass transfer effect of ethanol molecules and the reconstruction of the hydrogen bond network of water molecules determined the stability of hydrates. From 0 to 40 mol% ethanol concentration, the hydrate decomposition increased with increasing the concentration of ethanol. Both increasing the temperature and decreasing the pressure are beneficial to the decomposition of the hydrate system. These results provide the selection of optimal ethanol concentration for the decomposition of methane hydrate and reveal its decomposition mechanism, and shed important light for the controllable production of gas hydrates.
© 2021 The Authors

ISSN号:2238-7854

卷、期、页:v 13,p1722-1731

发表日期:2021-07-01

影响因子:5.289500

期刊分区(SCI为中科院分区):二区

收录情况:SCIE(科学引文索引网络版),EI(工程索引)

发表期刊名称:Journal of Materials Research and Technology

通讯作者:孙晓亮,朱建伟,郭丰志,王宁,赵格

第一作者:周广刚,刘子龙,陈君青,赫文豪,卢贵武

论文类型:期刊论文

论文概要:孙晓亮,周广刚,刘子龙,朱建伟,郭丰志,陈君青,赫文豪,王宁,赵格,卢贵武,Effect of ethanol concentration on methane hydrate decomposition: MD simulation insights,Journal of Materials Research and Technology,2021,v 13,p1722-1731

论文题目:Effect of ethanol concentration on methane hydrate decomposition: MD simulation insights