메뉴 건너뛰기




Volumn 33, Issue 15, 2007, Pages 1255-1260

Molecular dynamics simulation of inorganic ions in PEO aqueous solution

Author keywords

Li; PEO; Polarizability; Simulations; Water

Indexed keywords

IONIC CONDUCTIVITY; MATHEMATICAL MODELS; NEUTRON DIFFRACTION; NUMERICAL METHODS; POLYETHYLENE OXIDES; SALTS; SOLVATION;

EID: 36949015594     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020701697691     Document Type: Article
Times cited : (11)

References (23)
  • 2
    • 0032205146 scopus 로고    scopus 로고
    • Molecular dynamics simulations of poly (ethylene oxide)/LiI melts. 1. Structural and conformational, properties
    • O. Borodin, G.D. Smith. Molecular dynamics simulations of poly (ethylene oxide)/LiI melts. 1. Structural and conformational, properties. Macromolecules, 31, 23 (1998).
    • (1998) Macromolecules , vol.31 , pp. 23
    • Borodin, O.1    Smith, G.D.2
  • 4
    • 0031274972 scopus 로고    scopus 로고
    • Cation environment in molten lithium iodide doped polyethylene oxide)
    • J.D. Londono, et al. Cation environment in molten lithium iodide doped polyethylene oxide). Macromolecules, 30, 23 (1997).
    • (1997) Macromolecules , vol.30 , pp. 23
    • Londono, J.D.1
  • 5
    • 0033890417 scopus 로고    scopus 로고
    • Molecular dynamics simulations of poly(ethylene oxide)/LiI melts. 2. Dynamic properties
    • O. Borodin, G.D. Smith. Molecular dynamics simulations of poly(ethylene oxide)/LiI melts. 2. Dynamic properties. Macromolecules, 33, 6 (2000).
    • (2000) Macromolecules , vol.33 , pp. 6
    • Borodin, O.1    Smith, G.D.2
  • 6
    • 36449006187 scopus 로고
    • Molecular-dynamics simulation of crystalline poly(ethylene oxide)
    • S. Neyertz, D. Brown, J.O. Thomas. Molecular-dynamics simulation of crystalline poly(ethylene oxide). J. Chem. Phys., 101, 11 (1994).
    • (1994) J. Chem. Phys , vol.101 , pp. 11
    • Neyertz, S.1    Brown, D.2    Thomas, J.O.3
  • 7
    • 0032484863 scopus 로고    scopus 로고
    • Quantum-chemistry-based force field for 1,2-dimethoxyethane and poly(ethylene oxide) in aqueous solution
    • D. Bedrov, M. Pekny, G.D. Smith. Quantum-chemistry-based force field for 1,2-dimethoxyethane and poly(ethylene oxide) in aqueous solution. J. Phys. Chem. B, 102, 6 (1998).
    • (1998) J. Phys. Chem. B , vol.102 , pp. 6
    • Bedrov, D.1    Pekny, M.2    Smith, G.D.3
  • 8
    • 0034710429 scopus 로고    scopus 로고
    • Molecular dynamics simulation study of LiI-doped diglyme and poly(ethylene oxide) solutions
    • O. Borodin, G.D. Smith. Molecular dynamics simulation study of LiI-doped diglyme and poly(ethylene oxide) solutions. J. Phys. Chem. B, 104, 33 (2000).
    • (2000) J. Phys. Chem. B , vol.104 , pp. 33
    • Borodin, O.1    Smith, G.D.2
  • 9
    • 0037008029 scopus 로고    scopus 로고
    • A molecular dynamics simulation study of the influence of hydrogen-bonding and polar interactions on hydration and conformations of a poly(ethylene oxide) oligomer in dilute aqueous solution
    • G.D. Smith, D. Bedrov. A molecular dynamics simulation study of the influence of hydrogen-bonding and polar interactions on hydration and conformations of a poly(ethylene oxide) oligomer in dilute aqueous solution. Macromolecules, 35, 14 (2002).
    • (2002) Macromolecules , vol.35 , pp. 14
    • Smith, G.D.1    Bedrov, D.2
  • 10
    • 0003070652 scopus 로고    scopus 로고
    • Conductance studies of iAm3BuNI and NaBPh4 and the limiting ionic conductance in water + DMF mixtures at 298.15 K
    • A. Szejgis, A. Bald, J. Gregorowicz. Conductance studies of iAm3BuNI and NaBPh4 and the limiting ionic conductance in water + DMF mixtures at 298.15 K. J. Mol. Liquids, 75, 3 (1998).
    • (1998) J. Mol. Liquids , vol.75 , pp. 3
    • Szejgis, A.1    Bald, A.2    Gregorowicz, J.3
  • 11
    • 1542276429 scopus 로고    scopus 로고
    • Neutron-scattering determination of the Li + environment in an aqueous polyethylene oxide) solution
    • B.K. Annis, Y.S. Badyal, J.M. Simonson. Neutron-scattering determination of the Li + environment in an aqueous polyethylene oxide) solution. J. Phys. Chem. B, 108, 8 (2004).
    • (2004) J. Phys. Chem. B , vol.108 , pp. 8
    • Annis, B.K.1    Badyal, Y.S.2    Simonson, J.M.3
  • 13
    • 0032001905 scopus 로고    scopus 로고
    • Influence of water absorption on poly-ethylene oxidebased polymer electrolytes complexed with ammonium, sodium and magnesium Perchlorates
    • S.A. Hashmi. Influence of water absorption on poly-ethylene oxidebased polymer electrolytes complexed with ammonium, sodium and magnesium Perchlorates. J. Mater. Sci., 33, 4 (1998).
    • (1998) J. Mater. Sci , vol.33 , pp. 4
    • Hashmi, S.A.1
  • 16
    • 0001101489 scopus 로고
    • Theory and simulation of polar and nonpolar polarizable fluids
    • J.S. Cao, B.J. Berne. Theory and simulation of polar and nonpolar polarizable fluids. J. Chem Phys., 99, 9 (1993).
    • (1993) J. Chem Phys , vol.99 , pp. 9
    • Cao, J.S.1    Berne, B.J.2
  • 18
    • 0042843509 scopus 로고    scopus 로고
    • Development of quantum chemistry-based force fields for poly(ethylene oxide) with many-body polarization interactions
    • O. Borodin, G.D. Smith. Development of quantum chemistry-based force fields for poly(ethylene oxide) with many-body polarization interactions. J. Phys. Chem. B, 107, 28 (2003).
    • (2003) J. Phys. Chem. B , vol.107 , pp. 28
    • Borodin, O.1    Smith, G.D.2
  • 19
    • 36949017804 scopus 로고
    • A molecular-dynamics study of polarizable water
    • P. Ahlstrom, et al. A molecular-dynamics study of polarizable water. Mol. Phys., 68, 3 (1989).
    • (1989) Mol. Phys , vol.68 , pp. 3
    • Ahlstrom, P.1
  • 20
    • 0000086725 scopus 로고
    • - ions in polarizable water
    • - ions in polarizable water. J. Chem. Phys., 96, 9 (1992).
    • (1992) J. Chem. Phys , vol.96 , pp. 9
    • Dang, L.X.1
  • 21
    • 33646409342 scopus 로고
    • Photoelectron-spectra of the hydrated iodine anion from molecular-dynamics simulations
    • L.X. Dang, B.C. Garrett. Photoelectron-spectra of the hydrated iodine anion from molecular-dynamics simulations. J. Chem. Phys., 99, 4 (1993).
    • (1993) J. Chem. Phys , vol.99 , pp. 4
    • Dang, L.X.1    Garrett, B.C.2
  • 22
    • 36949003280 scopus 로고
    • Structure and dynamics of supercooled and glassy aqueous ionic-solutions
    • T. Yamaguchi, et al. Structure and dynamics of supercooled and glassy aqueous ionic-solutions. J. Mol. Liquids, 65, 6 (1995).
    • (1995) J. Mol. Liquids , vol.65 , pp. 6
    • Yamaguchi, T.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.