Structure and Dynamics of Poly(Vinyl Alcohol) Hydrogel

Molecular Simulation

Volumn 21, Issue 5-6, 1999, Pages 283-301

  Tamai, Yoshinori ^a,c   Tanaka, Hideki ^b  

^a KYOTO UNIVERSITY   (Japan)

^b OKAYAMA UNIVERSITY   (Japan)

^c KOBE UNIVERSITY   (Japan)

Author keywords

Hydrogen bond networks; Poly(vinyl alcohol) hydrogels; Supercooled water

Indexed keywords

EID: 0141945918     PISSN: 08927022     EISSN: None     Source Type: Journal    
DOI: 10.1080/08927029908022070     Document Type: Article

References (30)

1. Tamai, Y., Tanaka, H. and Nakanishi, K. (1996). "Molecular Dynamics Study of Polymer-Water Interaction in Hydrogels. 1. Hydrogen-Bond Structure", Macromolecules, 29, 6750.
2. Tamai, Y., Tanaka, H. and Nakanishi, K. (1996). "Molecular Dynamics Study of Polymer-Water Interaction in Hydrogels. 2. Hydrogen-Bond Dynamics", Macromolecules, 29, 6761.
3. Angell, C. A. In: Water: A Comprehensive Treatise, Vol. 7, Eds. Franks, F. (Plenum, New York, 1981), Chap. 1.
4. Angell, C. A. (1983). "Supercooled Water", Ann. Rev. Phys. Chem., 34, 539-630.
5. Speedy, R. J. (1992). "Evidence for a New Phase of Water: Water II", J. Phys. Chem., 96, 2322.
6. Poole, P. H., Sciortino, F., Essmann, U. and Stanley, H. E. (1992). "Phase Behaviour of Metastable Water", Nature, 360, 324.
7. Poole, P. H., Sciortino, F., Essmann, U. and Stanley, H. E. (1993). "Spinodal of Liquid Water", Phys. Rev., E 48, 3799.
8. Tanaka, H. (1996). "A Self-consistent Phase Diagram for Supercooled Water", Nature, 380, 328-330.
9. Tanaka, H. (1996). "Phase Behaviors of Supercooled Water: Reconciling a Critical Point of Amorphous Ices with Spinodal Instability", J. Chem. Phys., 105, 5099-5111.
10. Harrington, S., Zhang, R., Poole, P. H., Sciortino, F. and Stanley, H. E. (1997). "Liquid-Liquid Phase Transition: Evidence from Simulations", Phys. Rev. Lett., 78, 2409-2412.
11. Angell, C. A. (1993). "Water II is a Strong Liquid", J. Phys. Chem., 97, 6339-6341.
12. Angell, C. A. "Hydrogen Bonding and the Fragility of Supercooled Liquids and Biopolymers", In: Hydrogen Bond Networks, Eds. Bellissent-Funel, M.-C. and Dore, J. C. (Kluwer Academic Publishers, Dordrecht, The Netherlands, 1994) p. 3.
13. Angell, C. A. (1995). "Formation of Glasses from Liquids and Biopolymers", Science, 267, 1924-1935.
14. Stillinger, F. H. (1995). "A Topographic View of Supercooled Liquids and Glass Formation", Science, 267, 1935-1939.
15. Green, J. L., Fan, J. and Angell, C. A. (1994). "The Protein-Glass Analogy: Some Insights from Homopeptide Comparisons", J. Phys. Chem., 98, 13780-13790.
16. Tamai, Y. and Tanaka, H. (1998). "Dynamic Properties of Supercooled Water in Poly(Vinyl Alcohol) Hydrogel", Chem. Phys. Lett., 285, 127-132.
17. Jorgensen, W. L. and Tirado-Rives, J. (1988). "The OPLS Potential Functions for Proteins. Energy Minimization for Crystals of Cyclic Peptides and Crambin", J. Am. Chem. Soc., 110, 1657-1666.
18. Weiner, S. J., Kollman, P. A., Case, D. A., Singh, U. C., Ghio, C., Alagona, G., Profeta, S. and Weiner, P. (1984). "A New Force Field for Molecular Mechanical Simulation of Nucleic Acids and Proteins", J. Am. Chem. Soc., 106, 765-784.
19. Jorgensen, W. L., Chandrasekhar, J., Madura, J. D., Impey, R. W. and Klein, M. L. (1983). "Comparison of Simple Potential Functions for Simulating Liquid Water", J. Chem. Phys., 79, 926-935.
20. Ciccotti, G., Ferrario, M. and Ryckaert, J.-P. (1982). "Molecular Dynamics of Rigid Systems in Cartesian Coordinates. A General Formulation", Mol. Phys., 47, 1253-1264.
21. Nosé, S. (1984). "A Unified Formulation of the Constant Temperature Molecular Dynamics Methods", J. Chem. Phys., 81, 511-519.
22. Anderson, H. C. (1980). "Molecular Dynamics Simulations at Constant Pressure and/or Temperature", J. Chem. Phys., 72, 2384-2393.
23. Ferrario, M. and Ryckaert, J. P. (1985). "Constant Pressure-Constant Temperature Molecular Dynamics for Rigid and Partially Rigid Molecular Systems", Mol. Phys., 54, 587-603.
24. Duan, Y., Kumar, S., Rosenberg, J. M. and Kollman, P. A. (1995). "Gradient SHAKE: An Improved Method for Constrained Energy Minimization in Macromolecular Simulations", J. Comput. Chem., 16, 1351-1356.
25. Luzar, A. and Chandler, D. (1993). "Structure and Hydrogen Bond Dynamics of Water-Dimethyl Sulfoxide Mixtures by Computer Simulations", J. Chem. Phys., 98, 8160-8173.
26. Roe, R.-J., Rigby, D., Furuya, H. and Takeuchi, H. (1992). "Glass Transition and Local Chain Motion in Bulk Amorphous Polymers Studied by Molecular Dynamics Simulations", Comput. Polym. Sci., 2, 32-43.
27. Roe, R.-J. (1994). "Short Time Dynamics of Polymer Liquid and Glass Studied by Molecular Dynamics Simulation", J. Chem. Phys., 100, 1610-1619.
28. Boyd, R. H., Gee, R. H., Han, J. and Jin, Y. (1994). "Conformational Dynamics in Bulk Polyethylene: A Molecular Dynamics Simulation Study", J. Chem. Phys., 101, 788-797.
29. Johari, G. P., Hallbrucker, A. and Mayer, E. (1987). "The Glass-Liquid Transition of Hyperquenched Water", Nature, 330, 552-553.
30. g", J. Chem. Phys., 105, 7079-7082.