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ID 116123
著者
Yuasa, Ryuto University of Tokushima
Do, D.D. University of Queensland
キーワード
Water adsorption
Water cluster formation
Temperature dependence
Functionalized graphite
資料タイプ
学術雑誌論文
抄録
Our recent experimental study of water adsorption in micro-mesoporous carbons at 263 K and 298 K show an unusual temperature dependence of adsorbed density with higher loading at 298 K at the same reduced pressure. The difference is in the filling of mesopore at 298 K and its absence at 263 K, and it was conjectured to the growth of water clusters on the functional groups in the confined space of mesopores in which the water clusters at 298 K are sufficiently large to induce the subsequent filling. Since the growth of these clusters and their coalescence is the prerequisite for filling, the filling is absent at 263 K simply because of the smaller size of the clusters, preventing them from coalescence and hence, no filling. In a quest to understand the effects of temperature on water adsorption in micro-mesoporous carbon, we used molecular dynamic simulation to reveal the mechanism of water adsorption around functional groups from 263 K to 328 K to clarify the growth of the water cluster as a function of temperature. The results clearly show that the water cluster is larger at 298 K compared to 263 K, confirming the conjecture from our previous works.
掲載誌名
Carbon
ISSN
00086223
cat書誌ID
AA00598943
AA11522830
出版者
Elsevier
183
開始ページ
380
終了ページ
389
発行日
2021-07-10
権利情報
This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).
EDB ID
出版社版DOI
出版社版URL
フルテキストファイル
言語
eng
著者版フラグ
出版社版
部局
理工学系