메뉴 건너뛰기




Volumn 2013, Issue , 2013, Pages

Self-assembly and intermolecular forces when cellulose and water interact using molecular modeling

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION ENERGIES; HYDROPHILIC/HYDROPHOBIC; INDUCED POLARIZATION; INTER-MOLECULAR FORCES; INTERMOLECULAR HYDROGEN BONDS; INTRA- AND INTERMOLECULAR HYDROGEN BONDS; REACTION MECHANISM; STRUCTURAL ANISOTROPY;

EID: 84880248453     PISSN: 16874110     EISSN: 16874129     Source Type: Journal    
DOI: 10.1155/2013/745979     Document Type: Article
Times cited : (85)

References (23)
  • 1
    • 77953296073 scopus 로고    scopus 로고
    • Cellulose nanocrystals: Chemistry, self-assembly, and applications
    • 2-s2.0-77953296073 10.1021/cr900339w
    • Habibi Y., Lucia L. A., Rojas O. J., Cellulose nanocrystals: chemistry, self-assembly, and applications. Chemical Reviews 2010 110 6 3479 3500 2-s2.0-77953296073 10.1021/cr900339w
    • (2010) Chemical Reviews , vol.110 , Issue.6 , pp. 3479-3500
    • Habibi, Y.1    Lucia, L.A.2    Rojas, O.J.3
  • 3
    • 36048972648 scopus 로고
    • Native cellulose: A composite of two distinct crystalline forms
    • 2-s2.0-36048972648
    • Atalla R. H., VanderHart D. L., Native cellulose: a composite of two distinct crystalline forms. Science 1984 223 4633 283 285 2-s2.0-36048972648
    • (1984) Science , vol.223 , Issue.4633 , pp. 283-285
    • Atalla, R.H.1    Vanderhart, D.L.2
  • 4
    • 33845471928 scopus 로고
    • Studies of microstructure in native celluloses using solid-state 13C NMR
    • 2-s2.0-33845471928
    • VanderHart D. L., Atalla R. H., Studies of microstructure in native celluloses using solid-state 13C NMR. Macromolecules 1984 17 8 1465 1472 2-s2.0-33845471928
    • (1984) Macromolecules , vol.17 , Issue.8 , pp. 1465-1472
    • Vanderhart, D.L.1    Atalla, R.H.2
  • 5
    • 41549090192 scopus 로고    scopus 로고
    • Dynamics of cellulose - Water interfaces: NMR spin - Lattice relaxation times calculated from atomistic computer simulations
    • DOI 10.1021/jp074641t
    • Bergenstråhle M., Wohlert J., Larsson P. T., Mazeau K., Berglund L. A., Dynamics of cellulose-water interfaces: NMR spin-lattice relaxation times calculated from atomistic computer simulations. Journal of Physical Chemistry B 2008 112 9 2590 2595 2-s2.0-41549090192 10.1021/jp074641t (Pubitemid 351472965)
    • (2008) Journal of Physical Chemistry B , vol.112 , Issue.9 , pp. 2590-2595
    • Bergenstrahle, M.1    Wohlert, J.2    Larsson, P.T.3    Mazeau, K.4    Berglund, L.A.5
  • 8
    • 34447260582 scopus 로고
    • An all-electron numerical method for solving the local density functional for polyatomic molecules
    • 10.1063/1.458452
    • Delly B., An all-electron numerical method for solving the local density functional for polyatomic molecules. Journal of Chemical Physics 1990 92 1, article 508 10.1063/1.458452
    • (1990) Journal of Chemical Physics , vol.92 , Issue.1
    • Delly, B.1
  • 9
    • 0001765695 scopus 로고
    • Analytic energy derivatives in the numerical local-density-functional approach
    • ARTICLE 7245 10.1063/1.460208
    • Delly B., Analytic energy derivatives in the numerical local-density-functional approach. Journal of Chemical Physics 1991 94 11, article 7245 10.1063/1.460208
    • (1991) Journal of Chemical Physics , vol.94 , Issue.11
    • Delly, B.1
  • 10
    • 0034319689 scopus 로고    scopus 로고
    • 3 approach
    • DOI 10.1063/1.1316015
    • 3 approach. Journal of Chemical Physics 2000 113 18, article 7756 10.1063/1.1316015 (Pubitemid 32023170)
    • (2000) Journal of Chemical Physics , vol.113 , Issue.18 , pp. 7756-7764
    • Delley, B.1
  • 11
    • 0030121735 scopus 로고    scopus 로고
    • Fast calculation of electrostatics in crystals and large molecules
    • 10.1021/jp952713n
    • Delly B., Fast calculation of electrostatics in crystals and large molecules. The Journal of Physical Chemistry 1996 100 15 6107 6110 10.1021/jp952713n
    • (1996) The Journal of Physical Chemistry , vol.100 , Issue.15 , pp. 6107-6110
    • Delly, B.1
  • 12
    • 0031553228 scopus 로고    scopus 로고
    • Density functional theory predictions of second-order hyperpolarizabilities of metallocenes
    • Matusuzawa N., Seto J., Dixon D. A., Density functional theory predictions of second-order hyperpolarizabilities of metallocenes. The Journal of Physical Chemistry 1997 101 49 9391 9398 10.1021/jp952465v (Pubitemid 127609204)
    • (1997) Journal of Physical Chemistry A , vol.101 , Issue.49 , pp. 9391-9398
    • Matsuzawa, N.1    Seto, J.2    Dixon, D.A.3
  • 13
    • 0037036704 scopus 로고    scopus 로고
    • Crystal structure and hydrogen-bonding system in cellulose Iβ from synchrotron X-ray and neutron fiber diffraction
    • DOI 10.1021/ja0257319
    • Nishiyama Y., Langan P., Chanzy H., Crystal structure and hydrogen-bonding system in cellulose I β from synchrotron X-ray and neutron fiber diffraction. Journal of the American Chemical Society 2002 124 31 9074 9082 2-s2.0-0037036704 10.1021/ja0257319 (Pubitemid 34847668)
    • (2002) Journal of the American Chemical Society , vol.124 , Issue.31 , pp. 9074-9082
    • Nishiyama, Y.1    Langan, P.2    Chanzy, H.3
  • 14
    • 80052327453 scopus 로고    scopus 로고
    • Ab initio studies of cellulose I: Crystal structure, intermolecular forces, and interactions with water
    • 2-s2.0-80052327453 10.1021/jp2006759
    • Li Y., Lin M., Davenport J. W., Ab initio studies of cellulose I: crystal structure, intermolecular forces, and interactions with water. Journal of Physical Chemistry C 2011 115 23 11533 11539 2-s2.0-80052327453 10.1021/jp2006759
    • (2011) Journal of Physical Chemistry C , vol.115 , Issue.23 , pp. 11533-11539
    • Li, Y.1    Lin, M.2    Davenport, J.W.3
  • 15
    • 33749596580 scopus 로고    scopus 로고
    • Two different surface properties of regenerated cellulose due to structural anisotropy
    • DOI 10.1295/polymj.PJ2005187
    • Yamane C., Aoyagi T., Ago M., Sato K., Okajima K., Takahashi T., Two different surface properties of regenerated cellulose due to structural anisotropy. Polymer Journal 2006 38 8 819 826 2-s2.0-33749596580 10.1295/polymj.PJ2005187 (Pubitemid 44544967)
    • (2006) Polymer Journal , vol.38 , Issue.8 , pp. 819-826
    • Yamane, C.1    Aoyagi, T.2    Ago, M.3    Sato, K.4    Okajima, K.5    Takahashi, T.6
  • 16
    • 0003968803 scopus 로고
    • New York, NY, USA Springer Springer Series in Wood Science
    • Skaar Ch., Wood-Water Relations 1988 New York, NY, USA Springer Springer Series in Wood Science
    • (1988) Wood-Water Relations
    • Skaar, Ch.1
  • 17
    • 0000426725 scopus 로고    scopus 로고
    • Interface between monoclinic crystalline cellulose and water: Breakdown of the odd/even duplicity
    • Heiner A. P., Teleman O., Interface between monoclinic crystalline cellulose and water: breakdown of the odd/even duplicity. Langmuir 1997 13 3 511 518 2-s2.0-0000426725 (Pubitemid 127561550)
    • (1997) Langmuir , vol.13 , Issue.3 , pp. 511-518
    • Heiner, A.P.1    Teleman, O.2
  • 18
    • 0000726913 scopus 로고
    • Thermal softening of lignin, hemicellulose and cellulose
    • Goring D. A. I., Thermal softening of lignin, hemicellulose and cellulose. Pulp and Paper Magazine 1963 64 12 T517 T527
    • (1963) Pulp and Paper Magazine , vol.64 , Issue.12
    • Goring, D.A.I.1
  • 20
    • 84880205387 scopus 로고    scopus 로고
    • http://www.accelrys.com/products/mstudio/modeling/quantumandcatalysis/ dmol3.html
  • 21
    • 42749105769 scopus 로고    scopus 로고
    • Effect of adsorbates on field emission from carbon nanotubes
    • 2-s2.0-42749105769 155502
    • Maiti A., Andzelm J., Tanpipat N., Von Allmen P., Effect of adsorbates on field emission from carbon nanotubes. Physical Review Letters 2001 87 15 4 2-s2.0-42749105769 155502
    • (2001) Physical Review Letters , vol.87 , Issue.15 , pp. 4
    • Maiti, A.1    Andzelm, J.2    Tanpipat, N.3    Von Allmen, P.4
  • 22
    • 0043049887 scopus 로고
    • A multicenter numerical integration scheme for polyatomic molecules
    • 2-s2.0-0043049887
    • Becke A. D., A multicenter numerical integration scheme for polyatomic molecules. The Journal of Chemical Physics 1988 88 4 2547 2554 2-s2.0-0043049887
    • (1988) The Journal of Chemical Physics , vol.88 , Issue.4 , pp. 2547-2554
    • Becke, A.D.1
  • 23
    • 0345491105 scopus 로고
    • Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
    • 2-s2.0-0345491105 10.1103/PhysRevB.37.785
    • Lee C., Yang W., Parr R. G., Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. Physical Review B 1988 37 2 785 789 2-s2.0-0345491105 10.1103/PhysRevB.37.785 fonctionnels
    • (1988) Physical Review B , vol.37 , Issue.2 , pp. 785-789
    • Lee, C.1    Yang, W.2    Parr, R.G.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.