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

[1] HYDRATES OF CARBON-DIOXIDE AND METHANE MIXTURES [J].

ADISASMITO, S ;

FRANK, RJ ;

SLOAN, ED .

JOURNAL OF CHEMICAL AND ENGINEERING DATA, 1991, 36 (01) :68-71

[2] Why ice-binding type I antifreeze protein acts as a gas hydrate crystal inhibitor [J].

Bagherzadeh, S. Alireza ;

Alavi, Saman ;

Ripmeestera, John A. ;

Englezos, Peter .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2015, 17 (15) :9984-9990

[3] Two-component order parameter for quantifying clathrate hydrate nucleation and growth [J].

Barnes, Brian C. ;

Beckham, Gregg T. ;

Wu, David T. ;

Sum, Amadeu K. .

JOURNAL OF CHEMICAL PHYSICS, 2014, 140 (16)

[4] A review on the role of amino acids in gas hydrate inhibition, CO2 capture and sequestration, and natural gas storage [J].

Bavoh, Cornelius B. ;

Lal, Bhajan ;

Osei, Harrison ;

Sabil, Khalik M. ;

Mukhtar, Hilmi .

JOURNAL OF NATURAL GAS SCIENCE AND ENGINEERING, 2019, 64 :52-71

[5]

Dendy Sloan J.E, 2007, CLATHRATE HYDRATES N

[6] Fluid Composition and Kinetics of the in Situ Replacement in CH4-CO2 Hydrate System [J].

Falenty, A. ;

Qin, J. ;

Salamatin, A. N. ;

Yang, L. ;

Kuhs, W. F. .

JOURNAL OF PHYSICAL CHEMISTRY C, 2016, 120 (48) :27159-27172

[7] In situ methane hydrate dissociation with carbon dioxide sequestration: Current knowledge and issues [J].

Goel, Naval .

JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING, 2006, 51 (3-4) :169-184

[8] On the solubility of aliphatic hydrocarbons in 7 M aqueous urea [J].

Graziano, G .

JOURNAL OF PHYSICAL CHEMISTRY B, 2001, 105 (13) :2632-2637

[9]

Ho C.-H., 2017, MEASUREMENT THERMODY

[10] VMD: Visual molecular dynamics [J].

Humphrey, W ;

Dalke, A ;

Schulten, K .

JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 1996, 14 (01) :33-38