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

被引：17
|
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
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