1. 毕业设计（论文）的内容和要求

本课题通过模拟单层氧化石墨烯膜对乙醇-水混合物的渗透分离过程，探究分析氧化石墨烯膜分离乙醇溶液的微观作用机理。

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软件的基本知识，操作步骤，并学会使用； 4、合理安排实验进程，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. Dreyer DR, Park S, Bielawski CW, Ruoff RS. The Chemistry of graphene oxide. Chem Soc Rev. 2010; 39: 228#8722;240. 2. 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#8722;444. 3. 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#8722;3924. 4. Joshi RK, Carbone P, Wang FC, Kravets VG, Su Y, Grigorieva IV, Wu HA, Geim AK, Nair RR. Precise and ultrafast molecular sieving through graphene oxide membranes. Science. 2014; 343: 752#8722;754. 5. Tang YP, Paul DR, Chung TS. Free-standing graphene oxide thin films assembled by a pressurized ultrafiltration method for dehydration of ethanol. J Membr Sci. 2014; 458: 199-208. 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#8722;3700. 8. Mi BX. Graphene oxide membranes for ionic and molecular sieving. Science. 2014; 343: 740#8722;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. Talyzin AV, Hausmaninger T, You S, Szabo T. The structure of graphene oxide membranes in liquid water, ethanol and water-ethanol mixtures. Nanoscale. 2014; 6: 272#8722;281. 11. Suk ME, Aluru NR. Water transport through ultrathin graphene. J Phys Chem Lett. 2010; 1(10): 1590-1594. 12. Cohen-Tanugi D, Grossman JC. Water desalination across nanoporous graphene. Nano Letters. 2012; 12(7): 3602-3608. 13. Cohen-Tanugi D, Grossman JC. Water permeability of nanoporous graphene at realistic pressures for reverse osmosis desalination. J Chem Phys. 2014; 141(7).

3. 毕业设计（论文）进程安排

15.1.4~15.3.10 文献调研，开题报告 15.3.10~15.5.21 开展实验工作 15.5.21~15.5.28 中后期实验阶段及数据收集 15.5.21~15.6.10 数据整理，撰写论文，准备答辩