ReaxFF MDSs-based studies on gasification of glucose in supercritical water under microwave heating
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- 作者：Yi-Ming Zhanga ; Jia-Lin Lia ; jialinli@uestc.edu.cn" class="auth_mail" title="E-mail the corresponding author ; Jian-Peng Wangb ; Xue-Song Yanga ; Bing-Zhong Wanga
- 关键词：Microwave heating ; ReaxFF molecular dynamics simulation ; Glucose gasification ; Collision theory
- 刊名：International Journal of Hydrogen Energy
- 出版年：2016
- 出版时间：17 August 2016
- 年：2016
- 卷：41
- 期：31
- 页码：13390-13398
- 全文大小：2551 K
文摘
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ReaxFF MDs is firstly used to study the glucose gasification in supercritical water.
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Using microwave as heating source is theoretically feasible during the gasification.
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Collision theory is employed and simplified collision models are constructed.
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External microwaves influence the reaction rate of the water-gas shift reaction.