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毕业论文网 > 任务书 > 化学化工与生命科学类 > 化学工程与工艺 > 正文

三元体系H2O/CH4/CO2在碳纳米管中水的行为及其影响的分子模拟研究任务书

 2020-06-25 20:44:50  

1. 毕业设计(论文)的内容和要求

#25484;#25569;#19968;#20123;#19982;#20998;#23376;#27169;#25311;#30456;#20851;#30340;#29702;#35770;#30693;#35782;#65307; #23545;#22522;#20110;#22810;#23380;#26448;#26009;#21560;#38468;#20998;#31163;CO2/CH4#30340;#20998;#23376;#27169;#25311;#30740;#31350;#30456;#20851;#30340;#35838;#39064;#25991;#29486;#26816;#32034;#35201;#21040;#20301;#65292;#20102;#35299;#27700;#22312;#22810;#23380;#26448;#26009;#20013;#30340;#22242;#31751;#34892;#20026;#20197;#21450;#23545;CO2/CH4#20998;#31163;#24615;#33021;#30340;#24433;#21709;#65292;#25484;#25569;#35813;#35838;#39064;#30340;#30456;#20851;#30693;#35782;#65307; #23545;#20998;#23376;#27169;#25311;#30340;Monte Carlo#26041;#27861;#21644;Music#36719;#20214;#26377;#19968;#23450;#30340;#20102;#35299;#65307; #21400;#28165;#20998;#23376;#21560;#38468;#37327;#12289;#21560;#38468;#36873;#25321;#24615;#21644;#21560;#38468;#20998;#31163;#24615;#33021;#20043;#38388;#30340;#20851;#31995;#12290;

2. 参考文献

[1] Nair R R, Wu H A, Jayaram P N, et al. Unimpeded permeation of water through helium-leak-tight graphene-based membranes [J]. Science, 2012, 335(6067): 442-4. [2] Mashl R J, Joseph S, Aluru N R, et al. Anomalously Immobilized Water: A New Water Phase Induced by Confinement in Nanotubes [J]. Nano letters, 2003, 3(5): 589-92. [3] Falk K, Sedlmeier F, Joly L, et al. Molecular origin of fast water transport in carbon nanotube membranes: superlubricity versus curvature dependent friction [J]. Nano letters, 2010, 10(10): 4067-73. [4] Singla S, Anim-Danso E, Islam A E, et al. Insight on Structure of Water and Ice Next to Graphene Using Surface-Sensitive Spectroscopy [J]. ACS Nano, 2017. [5] Verdaguer A, Sacha G M, Bluhm H, et al. Molecular structure of water at interfaces: wetting at the nanometer scale [J]. Chem Rev, 2006, 106(4): 1478-510. [6] Cohen-Tanugi D, Grossman J C. Water desalination across nanoporous graphene [J]. Nano letters, 2012, 12(7): 3602-8. [7] Yazayd齨 AO, Benin AI, Faheem SA, et al. Enhanced CO2 adsorption in metal-organic frameworks via occupation of open-metal sites by coordinated water molecules [J]. Chemistry of Materials, 2009, 21(8): 1425-1430. [8] Rossi M P, Ye H, Gogotsi Y, et al. Environmental Scanning Electron Microscopy Study of Water in Carbon Nanopipes [J]. Nano letters, 2004, 4(5): 989-93. [9] Liu L, Nicholson D, Bhatia SK. Adsorption of CH4 and CH4/CO2 mixtures in carbon nanotubes and disordered carbons: A molecular simulation study [J]. Chemical Engineering Science, 2015, 121: 268-278. [10] Joseph S, Aluru N R. Why are carbon nanotubes fast transporters of water? [J]. Nano letters, 2008, 8(2): 452-8. [11] Wei M-J, Zhou J, Lu X, et al. Diffusion of water molecules confined in slits of rutile TiO2(110) and graphite(0001) [J]. Fluid Phase Equilibria, 2011, 302(1-2): 316-20. [12] Zhang Y, Zhu Y, Li Z, et al. Temperature-dependent structural properties of water molecules confined in TiO2 nanoslits: Insights from molecular dynamics simulations [J]. Fluid Phase Equilibria, 2016, 430(169-77. [13] Huang LL, Zhang LZ, Shao Q, et al. Molecular dynamics simulation study of the structural characteristics of water molecules confined in functionalized carbon nanotubes [J]. Journal of Physical Chemistry B, 2006, 110(11): 25761-25768. [14] Liu L, Nicholson D, Bhatia S K. Impact of H2O on CO2 Separation from Natural Gas: Comparison of Carbon Nanotubes and Disordered Carbon[J]. Journal of Physical Chemistry C, 2015, 119(1):407-419. [15] Dalla Bernardina S, Paineau E, Brubach J B, et al. Water in Carbon Nanotubes: The Peculiar Hydrogen Bond Network Revealed by Infrared Spectroscopy [J]. Journal of the American Chemical Society, 2016, 138(33): 10437-43.

3. 毕业设计(论文)进程安排

2018.1.8~2.4 #26816;#32034;#22269;#20869;#22806;#26377;#20851;#25991;#29486;#65292;#24182;#36827;#34892;#25991;#29486;#32508;#36848;#25972;#29702;#65292;#32763;#35793;#33521;#25991;#25991;#29486;#65307; 2018.2.5~2018.3.11 #30830;#23450;#30740;#31350;#24605;#36335;#65292;#25776;#20889;#24320;#39064;#25253;#21578;#65307; 2018.3.12~3.18 #23436;#25104;#23545;#19981;#21516;#21547;#27700;#37327;#19979;CO2/CH4#22312;#30899;#32435;#31859;#31649;#20013;#30340;MC#27169;#25311;#35745;#31639;#65292;#24471;#20986;CO2/CH4#30340;#21560;#38468;#37327;#21644;#36873;#25321;#24615;#65292;#30740;#31350;#21547;#27700;#37327;#23545;CO2/CH4#21560;#38468;#20998;#31163;#24615;#33021;#30340;#24433;#21709;#65292;#24182;#25776;#20889;#27605;#19994;#35770;#25991;#32490;#35770;#37096;#20998;#65307; 2018.3.19~3.25 #20013;#26399;#26816;#26597;#36164;#26009;#30340;#20934;#22791;#65307; 2018.3.26~5.31#23436;#25104;#23545;#19981;#21516;#21387;#21147;#12289;#28201;#24230;#12289;#30899;#31649;#31649;#24452;#19979;H2O/CO2/CH4#19977;#20803;#20307;#31995;#22312;#30899;#32435;#31859;#31649;#20013;#30340;MC#27169;#25311;#35745;#31639;#65292;#35266;#23519;#19981;#21516;#28201;#24230;#12289;#21387;#21147;#12289;#30899;#31649;#31649;#24452;#19979;#27700;#20998;#23376;#30340;#22242;#31751;#34892;#20026;#65292;#20998;#21035;#30740;#31350;#27700;#22312;#19981;#21516;#28201;#24230;#12289;#21387;#21147;#12289;#30899;#31649;#31649;#24452;#19979;#23545;CO2/CH4#21560;#38468;#20998;#31163;#24615;#33021;#30340;#24433;#21709;#65292;#24182;#25776;#20889;#27605;#19994;#35770;#25991;#65307; 2017.6.1~6.10 #23436;#25104;#35770;#25991;#65292;#20934;#22791;#31572;#36777;#12290;

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