https://scholars.lib.ntu.edu.tw/handle/123456789/576777
標題: | Promotion mechanism for the growth of CO2hydrate with urea using molecular dynamics simulations | 作者: | Wang P.-W Wu D.T Lin S.-T. SHIANG-TAI LIN |
關鍵字: | Carbon dioxide; Metabolism; Phase interfaces; Urea; Analysis of simulations; Cage formation; CO2 hydrates; Growth process; Kinetic promoters; Molecular dynamics simulations; Solid-liquid interfaces; Molecular dynamics | 公開日期: | 2021 | 卷: | 57 | 期: | 43 | 起(迄)頁: | 5330-5333 | 來源出版物: | Chemical Communications | 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. ? The Royal Society of Chemistry. |
URI: | https://www.scopus.com/inward/record.uri?eid=2-s2.0-85106910140&doi=10.1039%2fd0cc06165d&partnerID=40&md5=559a3c929ff92656c2ae004b21bac847 https://scholars.lib.ntu.edu.tw/handle/123456789/576777 |
ISSN: | 13597345 | DOI: | 10.1039/d0cc06165d |
顯示於: | 化學工程學系 |
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