Promotion mechanism for the growth of CO2 hydrate with urea using molecular dynamics simulations

被引：20

作者：

Wang, Po-Wei ^{[1
]}

Wu, David T. ^{[2
,3
]}

Lin, Shiang-Tai ^{[1
]}

机构：

[1] Natl Taiwan Univ, Dept Chem Engn, Taipei, Taiwan

[2] Colorado Sch Mines, Dept Chem, Golden, CO 80401 USA

[3] Colorado Sch Mines, Dept Chem & Biol Engn, Golden, CO 80401 USA

来源：

CHEMICAL COMMUNICATIONS | 2021年 / 57卷 / 43期

关键词：

METHANE HYDRATE; CARBON-DIOXIDE; PHASE-EQUILIBRIUM; REPLACEMENT; SEQUESTRATION; INHIBITION; CH4;

D O I：

10.1039/d0cc06165d

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The role of urea as a kinetic promoter for the growth of CO2 hydrates is revealed for the first time using molecular dynamics simulations. Analysis of simulation trajectories shows that urea plays two important roles in the growth process: increasing mass transport of CO2 and catalyzing cage formation at the solid-liquid interface.

引用

收藏

页码：5330 / 5333

页数：4

相关论文

共 27 条

[11] History of the development of low dosage hydrate inhibitors [J].

Kelland, Malcolm A. .

ENERGY & FUELS, 2006, 20 (03) :825-847

[12] Global distribution of methane hydrate in ocean sediment [J].

Klauda, JB ;

Sandler, SI .

ENERGY & FUELS, 2005, 19 (02) :459-470

[13] Influence of contact medium and surfactants on carbon dioxide clathrate hydrate kinetics [J].

Kumar, Asheesh ;

Sakpal, Tushar ;

Linga, Praveen ;

Kumar, Rajnish .

FUEL, 2013, 105 :664-671

[14] The effect of urea in the nucleation process of CO2 clathrate hydrates [J].

Lim, Len Herald V. ;

Lloren, Ana Victoria ;

Lamorena, Rheo B. .

JOURNAL OF MOLECULAR LIQUIDS, 2014, 194 :245-250

[15] THE FUTURE OF METHANE AS AN ENERGY RESOURCE [J].

MACDONALD, GJ .

ANNUAL REVIEW OF ENERGY, 1990, 15 :53-83

[16] Phase equilibrium for clathrate hydrate formed in methane plus water plus urea system [J].

Muromachi, Sanehiro ;

Abe, Toru ;

Maekawa, Tatsuo ;

Yamamoto, Yoshitaka .

FLUID PHASE EQUILIBRIA, 2015, 398 :1-4

[17] Methane exploitation by carbon dioxide from gas hydrates - Phase equilibria for CO2-CH4 mixed hydrate system [J].

Ohgaki, K ;

Takano, K ;

Sangawa, H ;

Matsubara, T ;

Nakano, S .

JOURNAL OF CHEMICAL ENGINEERING OF JAPAN, 1996, 29 (03) :478-483

[18] Replacement of CH4 in the hydrate by use of liquid CO2 [J].

Ota, M ;

Morohashi, K ;

Abe, Y ;

Watanabe, M ;

Smith, RL ;

Inomata, H .

ENERGY CONVERSION AND MANAGEMENT, 2005, 46 (11-12) :1680-1691

[19] Macro and microscopic CH4-CO2 replacement in CH4 hydrate under pressurized CO2 [J].

Ota, Masaki ;

Saito, Takeomi ;

Aida, Tsutomu ;

Watanabe, Masaru ;

Sato, Yoshiyuki ;

Smith, Richard L., Jr. ;

Inomata, Hiroshi .

AICHE JOURNAL, 2007, 53 (10) :2715-2721

[20] Effect of Organic Matter on CO2 Hydrate Phase Equilibrium in Phyllosilicate Suspensions [J].

Park, Taehyung ;

Kyung, Daeseung ;

Lee, Woojin .

ENVIRONMENTAL SCIENCE & TECHNOLOGY, 2014, 48 (12) :6597-6603