1. 毕业设计（论文）的内容和要求
本课题通过模拟双层氧化石墨烯膜浸在乙醇-水混合物中所发生的溶胀行为，探究分析氧化石墨烯膜在不同浓度乙醇溶液中的微观作用机理。
1、 理解分子模拟的基本概念、原理、模拟软件；2、 掌握氧化石墨烯膜的结构、性质及研究进展；3、熟悉分子动力学模拟相关软件及基本知识，操作步骤，学会解决一般问题；4、合理安排实验时间，工作时间不迟到早退；5、实验认真仔细，对实验现象进行详细的记录，定期对实验数据进行总结，及时调整实验方案；6、 工作积极主动，勤于思考，做好实验室安全卫生工作。
2. 参考文献
1、 J.W. Burress, S. Gadipelli, J. Ford, J.M. Simmons, W. Zhou, T. Yildirim, Graphene oxide framework materials: theoretical predictions and experimental results, Angew. Chem.-Int. Edit. 49 (47) (2010) 89028904.2、 G. Mercier, A. Klechikov, M. Hedenstrom, D. Johnels, I.A. Baburin, G. Seifert, et al., Porous graphene oxide/diboronic acid materials: structure and hydrogen sorption, J. Phys. Chem. C 119 (49) (2015) 2717927191.3、 Dreyer DR, Park S, Bielawski CW, Ruoff RS. The Chemistry of graphene oxide. Chem Soc Rev. 2010; 39: 228-240.4、 Nair RR., Wu HA, Jayaram PN, Grigorieva IV, Geim AK. Unimpeded permeation of water through helium-leak-tight graphene-based membranes. Science. 2012; 335: 442-444.5、 Zhu YW, Murali S, Cai WW, Li XS, Suk JW, Potts JR, Ruoff RS. Graphene and graphene oxide: synthesis, properties, and applications. Adv Mater. 2010; 22: 3906-3924.6、 Liu R, Arabale G, Kim J, Sun K, Lee Y, Ryu C, Lee C. Graphene oxide membrane for liquid phase organic molecular separation. Carbon. 2014; 77: 933-938.7、 Han Y, Xu Z, Gao C. Ultrathin graphene nanofiltration membrane for water purification. Adv Funct Mater. 2013; 23: 3693-3700.8、 Mi BX. Graphene oxide membranes for ionic and molecular sieving. Science. 2014; 343: 740-742.9、 Wei N, Peng XS, Xu ZP. Understanding water permeation in graphene oxide membranes. ACS Appl Mater Interfaces. 2014; 6(8): 5877-5883.10、 X. Ren, B. Zhou, C. Wang, Water-induced ethanol dewetting transition, J. Chem. Phys. 137 (2) (2012) 19.
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