메뉴 건너뛰기




Volumn 21, Issue 5-6, 1999, Pages 325-342

Molecular Dynamics Studies of Amorphous Poly(Tetrafluoroethylene)

Author keywords

Amorphous structure; Force field; Molecular dynamics; Poly(tetrafluoroethylene); Structure factor

Indexed keywords


EID: 0000941264     PISSN: 08927022     EISSN: None     Source Type: Journal    
DOI: 10.1080/08927029908022072     Document Type: Article
Times cited : (12)

References (24)
  • 1
    • 0028766604 scopus 로고
    • Conformational Characteristics of Poly(tetrafluoroethylene) Chains Based upon ab Initio Electronic Structure Calculations on Model Molecules
    • Smith, G. D., Jaffe, R. L. and Yoon, D. Y. (1994). "Conformational Characteristics of Poly(tetrafluoroethylene) Chains Based upon ab Initio Electronic Structure Calculations on Model Molecules", Macromolecules, 27, 3173.
    • (1994) Macromolecules , vol.27 , pp. 3173
    • Smith, G.D.1    Jaffe, R.L.2    Yoon, D.Y.3
  • 2
    • 0011628823 scopus 로고
    • Torsional Potential about the Central C - C Bond in Perfluoro-n-butane
    • Dixon, D. A. (1992). "Torsional Potential about the Central C - C Bond in Perfluoro-n-butane", J. Phys. Chem., 96, 3698.
    • (1992) J. Phys. Chem. , vol.96 , pp. 3698
    • Dixon, D.A.1
  • 3
    • 0000941489 scopus 로고    scopus 로고
    • The torsional potential of perfluoro n-alkanes: A density functional study
    • Röthlisberger, U., Lassonen, K., Klein, M. L. and Sprik, M. (1996). "The torsional potential of perfluoro n-alkanes: A density functional study", J. Chem. Phys., 104, 3692.
    • (1996) J. Chem. Phys. , vol.104 , pp. 3692
    • Röthlisberger, U.1    Lassonen, K.2    Klein, M.L.3    Sprik, M.4
  • 4
    • 0000397037 scopus 로고
    • A study of solid and liquid carbon tetrafluoride using the constant pressure, molecular dynamics technique
    • Nose, S. and Klein, M. L. (1983). "A study of solid and liquid carbon tetrafluoride using the constant pressure, molecular dynamics technique", J. Chem. Phys., 78, 6928.
    • (1983) J. Chem. Phys. , vol.78 , pp. 6928
    • Nose, S.1    Klein, M.L.2
  • 5
    • 84986437140 scopus 로고
    • Derivation of Fluorine and Hydrogen Atom Parameters Using Liquid Simulations
    • Gough, C. A., DeBolt, S. E. and Kollman, P. A. (1992). "Derivation of Fluorine and Hydrogen Atom Parameters Using Liquid Simulations", J. Comput. Chem., 13, 963.
    • (1992) J. Comput. Chem. , vol.13 , pp. 963
    • Gough, C.A.1    Debolt, S.E.2    Kollman, P.A.3
  • 6
    • 0029710725 scopus 로고    scopus 로고
    • Fluoropolymer force field derived from semiempirical molecular orbital calculations
    • Holt, D. B., Farmer, B. L., Mactur, K. S. and Eby, R. K. (1996). "Fluoropolymer force field derived from semiempirical molecular orbital calculations", Polymer, 37, 1847.
    • (1996) Polymer , vol.37 , pp. 1847
    • Holt, D.B.1    Farmer, B.L.2    Mactur, K.S.3    Eby, R.K.4
  • 7
    • 0001712066 scopus 로고    scopus 로고
    • Structure of Solid Poly(tetrafluoroethylene): A Computer Simulation Study of Chain Orientational, Translational, and Conformational Disorder
    • Sprik, M., Röthlisberger, U. and Klein, M. L. (1997). "Structure of Solid Poly(tetrafluoroethylene): A Computer Simulation Study of Chain Orientational, Translational, and Conformational Disorder", J. Phys. Chem. B, 101, 2745.
    • (1997) J. Phys. Chem. B , vol.101 , pp. 2745
    • Sprik, M.1    Röthlisberger, U.2    Klein, M.L.3
  • 8
    • 0021515659 scopus 로고
    • Optimized Intermolecular Potential Functions for Liquid Hydrocarbons
    • Jorgensen, W. L., Madura, J. D. and Swenson, C. J. (1984). "Optimized Intermolecular Potential Functions for Liquid Hydrocarbons", J. Am. Chem. Soc., 106, 6638.
    • (1984) J. Am. Chem. Soc. , vol.106 , pp. 6638
    • Jorgensen, W.L.1    Madura, J.D.2    Swenson, C.J.3
  • 9
    • 0011681526 scopus 로고
    • Physical Properties of Perfluoropropane
    • Brown, J. A. (1963). "Physical Properties of Perfluoropropane", J. Chem. Eng. Data, 8, 106.
    • (1963) J. Chem. Eng. Data , vol.8 , pp. 106
    • Brown, J.A.1
  • 10
    • 0011619966 scopus 로고
    • Physical Properties of n-perfluorobutane
    • Brown, J. A. and Mears, W. H. (1958). "Physical Properties of n-perfluorobutane", J. Phys. Chem., 62, 960.
    • (1958) J. Phys. Chem. , vol.62 , pp. 960
    • Brown, J.A.1    Mears, W.H.2
  • 11
    • 0026257241 scopus 로고
    • Calculation of Heats of Vaporization of Halogenated Hydrocarbons from Saturated Vapour Pressure Data
    • Basarová, P. and Svoboda, V. (1991). "Calculation of Heats of Vaporization of Halogenated Hydrocarbons from Saturated Vapour Pressure Data", Fluid Phase Equilibria, 68, 13.
    • (1991) Fluid Phase Equilibria , vol.68 , pp. 13
    • Basarová, P.1    Svoboda, V.2
  • 12
    • 0000378010 scopus 로고
    • Physical Properties of Perfluoropentanes
    • Burger, L. and Cady, G. H. (1951). "Physical Properties of Perfluoropentanes", J. Am. Chem. Soc., 73, 4243.
    • (1951) J. Am. Chem. Soc. , vol.73 , pp. 4243
    • Burger, L.1    Cady, G.H.2
  • 14
    • 84943502952 scopus 로고
    • A molecular dynamics method for simulation in the canonical ensemble
    • Nosé, S. (1984). "A molecular dynamics method for simulation in the canonical ensemble", Mol. Phys., 52, 255.
    • (1984) Mol. Phys. , vol.52 , pp. 255
    • Nosé, S.1
  • 15
    • 84926811618 scopus 로고
    • Constant pressure molecular dynamics for molecular systems
    • Nosé, S. and Klein, M. L. (1983). "Constant pressure molecular dynamics for molecular systems", Mol. Phys., 50, 1055.
    • (1983) Mol. Phys. , vol.50 , pp. 1055
    • Nosé, S.1    Klein, M.L.2
  • 16
    • 0001538909 scopus 로고
    • Canonical dynamics: Equilibrium phase-space distributions
    • Hoover, W. G. (1985). "Canonical dynamics: Equilibrium phase-space distributions", Phys. Rev. A, 31, 1695.
    • (1985) Phys. Rev. A , vol.31 , pp. 1695
    • Hoover, W.G.1
  • 17
    • 36749107785 scopus 로고
    • Molecular dynamics simulations at constant pressure and/or temperature
    • Anderson, H. C. (1980). "Molecular dynamics simulations at constant pressure and/or temperature", J. Chem. Phys., 72, 2384.
    • (1980) J. Chem. Phys. , vol.72 , pp. 2384
    • Anderson, H.C.1
  • 18
    • 84977266737 scopus 로고
    • Die Berechnung optischer und elektrostatischer Gitterpotentiale
    • Ewald, P. (1921). "Die Berechnung optischer und elektrostatischer Gitterpotentiale", Ann. Phys., 64, 253.
    • (1921) Ann. Phys. , vol.64 , pp. 253
    • Ewald, P.1
  • 19
    • 36549102345 scopus 로고
    • Truncation of Coulombic interactions in computer simulations of liquids
    • Linse, P. and Andersen, H. C. (1986). "Truncation of Coulombic interactions in computer simulations of liquids", J. Chem. Phys., 85, 3027.
    • (1986) J. Chem. Phys. , vol.85 , pp. 3027
    • Linse, P.1    Andersen, H.C.2
  • 20
    • 0001586553 scopus 로고
    • Elasticity of Solid Polymers as a Result of Thermal Motions
    • Gusev, A. A., Zhnder, M. M. and Suter, U. W. (1994). "Elasticity of Solid Polymers as a Result of Thermal Motions", Macromolecules, 27, 615.
    • (1994) Macromolecules , vol.27 , pp. 615
    • Gusev, A.A.1    Zhnder, M.M.2    Suter, U.W.3
  • 21
    • 0040836127 scopus 로고
    • Fluorine-Containing Polymers. II. Polytetrafluoroethylene
    • Sperati, C. A. and Starkweather, H. W. (1961). "Fluorine-Containing Polymers. II. Polytetrafluoroethylene", Adv. Polym. Sci., 2, 465.
    • (1961) Adv. Polym. Sci. , vol.2 , pp. 465
    • Sperati, C.A.1    Starkweather, H.W.2
  • 23
    • 0027167285 scopus 로고
    • X-Ray Scattering Study of New Perfluorinated Ionomers
    • Xu, G. (1993). "X-Ray Scattering Study of New Perfluorinated Ionomers", Polymer Journal, 25, 397.
    • (1993) Polymer Journal , vol.25 , pp. 397
    • Xu, G.1
  • 24
    • 0000467913 scopus 로고
    • Dynamic Mechanical Properties of Polystyrene, Polyethylene, and Polytetrafluoroethylene
    • Sauer, J. A. and Kline, D. E. (1955). "Dynamic Mechanical Properties of Polystyrene, Polyethylene, and Polytetrafluoroethylene", J. Polymer Sci., 18, 491.
    • (1955) J. Polymer Sci. , vol.18 , pp. 491
    • Sauer, J.A.1    Kline, D.E.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.