聚乙二醇二甲醚的相变过程的分子动力学模拟研究任务书

[1] 王国勋, 朱小蕾, 杨操. 氟化钾团簇的相变、成核和重结晶的分子动力学模拟 [J]. 无机化学学报, 2007, 23(8): 1421~1428.

[2] Deng H S, Hang J F. Molecular Dynamics of Kinetics of Phase Changes in Clusters: Crystal Nucleation of (RbCl)₁₀₈ Clusters at 600, 550, and 500 K [J]. J Solid State Chem, 2001, 159(1): 10~18.

[3] Turbull D, Fisher J C. Rate of Nucleation in Condensed Systems [J]. J Chem Phys, 1949, 17(1): 71~73.

[4] Costaa L T, Lavallb R L, Borgesb R S, et al. Polymer Electrolytes Based on Poly(ethylene glycol) Dimethyl Ether and the Ionic Liquid 1-butyl-3-methylimidazolium Hexafluorophosphate: Preparation, Physico-Chemical Characterization, and Theoretical Study [J]. Electrochim Acta, 2007, 53(4): 1568~1574.

[5] Moattar T Z M, Dariush N. Liquid-Liquid and Liquid-Liquid-Solid Equilibrium of the Poly(ethylene glycol) Dimethyl Ether 2000 Sodium Sulfate Water System [J]. J Chem Eng Data, 2008, 53(11): 2666~2670.

[6] Pereira S M, Rivas M A, Legido J L, et al. Speeds of Sound, Densities, Isentropic Compressibilities of the System (Methanol Polyethylene Glycol Dimethyl Ether 250) at Temperatures from 293.15 to 333.15 K [J]. J Chem Thermodyn, 2003, 35(3): 383~391.

[7] Soong R, Macdonald P M. Lateral Diffusion of PEG-Lipid in Magnetically Aligned Bicelles Measured Using Stimulated Echo Pulsed Field Gradient 1H NMR [J]. Biophys J, 2005, 88(1): 255~268.

[8] Kelarakis A, Giannelis E P. Crystallization and Unusual Rheological Behavior in Poly(ethylene oxide)-Clay Nanocomposites [J]. Polymer, 2011, 52(10): 2221~2227.

[9] 孙鹏, 张志英, 董知之, 等. 聚合物等温结晶过程的模拟实验 [J]. 天津工业大学学报, 2006, 25(6): 9~11.

[10] 李奕杰, 魏东山, 金熹高, 等. 受限状态聚合物熔体的分子动力学模拟 [J]. 高等学校化学学报, 2007, 28(5): 992~995.

[11] Zhao Z J, Wang Q, Zhang L, et al. A Different Diffusion Mechanism for Drug Molecules in Amorphous Polymers [J]. J Phys Chem B, 2007, 111(17): 4411~4416.

[12] Gupta J, Nunes C, Vyas S, et al. Prediction of Solubility Parameters and Miscibility of Pharmaceutical Compounds by Molecular Dynamics Simulations [J]. J Phys Chem B, 2011, 115(9): 2014~23.

[13] Law D, Krill S L, Schmitt E A, et al. Physicochemical Considerations in the Preparation of Amorphous Ritonavir-Poly(ethylene glycol) 8000 Solid Dispersions [J]. J Pharm Sci, 2001, 90(8): 1015~25.

[14] Alaghemandi M, Spohr E. Molecular Dynamics Investigation of the Thermo-Responsive Polymer Poly(N-isopropylacrylamide) [J]. Macromol Theory Simul, 2012, 21(2): 106~112.

Schachter D M, Xiong J, Tirol G C. Solid State NMR Perspective of Drug-Polymer Solid Solutions: A Model System Based on Poly(ethylene oxide) [J]. Int J Pharm, 2004, 281(1-2): 89~101.