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烃类水合物导热特性的分子动力学模拟
万丽华; 梁德青; 关进安
2014
Source Publication化工学报
ISSN0438-1157
Volume065Issue:003Pages:792
Abstract采用分子动力学模拟方法 Green-Kubo理论计算了263.15 K、3 MPa,sⅠ乙烷水合物、乙烯水合物的导热,给出密度和热导率值。从主客体分子和晶体结构(致密性、规整程度)对导热的影响等角度研究了烃类水合物(甲烷水合物、乙烷水合物、乙烯水合物)导热的特性。结果显示化学性质相似、分子量相差不大的烃类形成的水合物,其导热具有相似的温度压力依赖关系和晶体结构相关关系。对于sⅠ型水合物,水分子对水合物导热的影响远远超过客体分子对导热的影响。水合物的分子量越大,水合物密度越大,热导率越大。水合物晶体越致密、晶格越规整,热导率越大。
Language英语
Document Type期刊论文
Identifierhttp://ir.giec.ac.cn/handle/344007/21206
Collection中国科学院广州能源研究所
Affiliation中国科学院广州能源研究所
First Author AffilicationGuangZhou Institute of Energy Conversion,Chinese Academy of Sciences
Recommended Citation
GB/T 7714
万丽华,梁德青,关进安. 烃类水合物导热特性的分子动力学模拟[J]. 化工学报,2014,065(003):792.
APA 万丽华,梁德青,&关进安.(2014).烃类水合物导热特性的分子动力学模拟.化工学报,065(003),792.
MLA 万丽华,et al."烃类水合物导热特性的分子动力学模拟".化工学报 065.003(2014):792.
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