Full-Text Search:
Home|Journal Papers|About CNKI|User Service|FAQ|Contact Us|中文
《Journal of Hainan Normal University(Natural Science)》 2018-01
Add to Favorite Get Latest Update

Molecular Dynamics Simulated of Methane Hydrate over A Wide Pressure Range

FENG Huajie;XU Mingyan;LIU Jiao;WU Xiaoling;HUANG Yunzhuo;SUN Zhenfan;School of Chemistry and Chemical Engineering,Hainan Normal University;  
Molecular dynamics simulation has been used to study methane hydrate over a wide pressure range from 0.1 MPa to 30MPa by using GROMACS program. The distribution of molecules in methane hydrate at different times is observed.The H-bond numbers,radial distribution functions,coordination numbers,and diffusion coefficients of methane molecules and water molecules are calculated. The results show that in methane hydrate the water molecules forming strong H-bond network encircle and squeeze the methane molecules,then there is an obvious phenomenon of phase separation,and it causes the dissimilarities of pressure effect in local structures and diffusion coefficients between methane and water. Moreover,the differences of local structures and diffusion coefficients of methane are also very large between methane hydrate and pure methane system.
【Fund】: 海南省自然科学基金项目(20162027);; 海南省科协青年科技英才创新计划项目(HAST201621);; 海南师范大学大学生创新创业训练计划项目
【CateGory Index】: O641.1;TE31
Download(CAJ format) Download(PDF format)
CAJViewer7.0 supports all the CNKI file formats; AdobeReader only supports the PDF format.
©2006 Tsinghua Tongfang Knowledge Network Technology Co., Ltd.(Beijing)(TTKN) All rights reserved