Formation of the structure-II gas hydrate from low-concentration propane mixed with methane

Sanya,Du1,2; Xiaomin,Han1; Wenjiu,Cai3,4; Jinlong,Zhu5,6; Xiaobai,Ma7; Songbai,Han8; Dongfeng,Chen7; Yusheng,Zhao5,6; Hui,Li1; Hailong,Lu4; Xiaohui,Yu2

2023-06-01

10.1016/j.cjche.2022.10.014

CHINESE JOURNAL OF CHEMICAL ENGINEERING   影响因子和分区

1004-9541

2210-321X

It has been recognized that a small amount of propane mixed with methane can change greatly in not only the thermodynamics but also the structural properties of gas hydrate. However, its mechanism is still not well understood yet. In this research, structure-II (sII) hydrate is synthesized using a methane -propane gas mixture with an initial mole ratio of 99:1, and it is found that large (51264) cages are co -occupied by multiple gases based on the rigid structure analysis of neutron diffraction data. The first prin-ciples calculation and molecular dynamics simulation are conducted to uncover the molecular mecha-nism for sII methane-propane hydrate formation, revealing that the presence of propane inhibits the formation of structure-I (sI) hydrate but promotes sII hydrate formation. The results help to understand the accumulation mechanism of natural gas hydrate and benefit to optimize the condition for gas storage and transportation in hydrate form.& COPY; 2022 The Chemical Industry and Engineering Society of China, and Chemical Industry Press Co., Ltd. All rights reserved.

Multiple guest molecules Clathrates Neutron powder diffraction Structural transformation Molecular mechanism

SCI ; EI

英语

其他

National Key Research and Development Program of China["2016YFA0401503","2018YFA0305700"] ; National Natural Science Foundation of China["11575288","91934303","21935001","11775011"] ; Strategic Priority Research Program of the Chinese Academy of Sciences["XDB33000000","XDB25000000","QYZDBSSW-SLH013"] ; Key Research Program of Frontier Sciences of the Chinese Academy of Sciences["XDB33000000","XDB25000000","QYZDBSSW-SLH013"] ; Youth Innovation Promotion Association of the Chinese Academy of Sciences[Y202003] ; China Geological Survey[DD20190234] ; Scientific Instrument Developing Project of the Chinese Academy of Sciences[ZDKYYQ20170001]

Engineering

Engineering, Chemical

WOS:001013431100001

CHEMICAL INDUSTRY PRESS CO LTD

20232214160441

Digital storage ; Gas hydrates ; Gases ; Hydration ; Hydrogen storage ; Molecular dynamics ; Neutron diffraction ; Propane ; Thermodynamics

Natural Gas Deposits:512.2 ; Gas Fuels:522 ; Thermodynamics:641.1 ; Data Storage, Equipment and Techniques:722.1 ; Physical Chemistry:801.4 ; Organic Compounds:804.1

CHEMISTRY

Web of Science

1.Beijing Advanced Innovation Center for Soft Matter Science and Engineering, Beijing University of Chemical Technology, Beijing 100029, China
2.National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China
3.College of Engineering, Peking University, Beijing 100871, China
4.Beijing International Center for Gas Hydrate, School of Earth and Space Sciences, Peking University, Beijing 100871, China
5.Department of Physics, Southern University of Science and Technology (SUSTech), Shenzhen 518055, China
6.Southern Marine Science and Engineering Guangdong Laboratory (Guangzhou), Guangzhou 511458, China
7.Department of Nuclear Physics, China Institute of Atomic Energy, Beijing 102413, China
8.Academy for Advanced Interdisciplinary Studies, Southern University of Science and Technology (SUSTech), Shenzhen 518055, China

Sanya,Du,Xiaomin,Han,Wenjiu,Cai,et al. Formation of the structure-II gas hydrate from low-concentration propane mixed with methane[J]. CHINESE JOURNAL OF CHEMICAL ENGINEERING,2023,58:306-314.

Sanya,Du.,Xiaomin,Han.,Wenjiu,Cai.,Jinlong,Zhu.,Xiaobai,Ma.,...&Xiaohui,Yu.(2023).Formation of the structure-II gas hydrate from low-concentration propane mixed with methane.CHINESE JOURNAL OF CHEMICAL ENGINEERING,58,306-314.

Sanya,Du,et al."Formation of the structure-II gas hydrate from low-concentration propane mixed with methane".CHINESE JOURNAL OF CHEMICAL ENGINEERING 58(2023):306-314.