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Volumn 127, Issue 16, 2007, Pages

Silicate chain formation in the nanostructure of cement-based materials

Author keywords

[No Author keywords available]

Indexed keywords

CEMENTS; MOLECULAR MODELING; MOLECULAR STRUCTURE; SILICA; SILICATES;

EID: 36049013339     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2796171     Document Type: Article
Times cited : (66)

References (30)
  • 1
  • 2
    • 36048957028 scopus 로고    scopus 로고
    • 2O, commonly used by the cement chemistry community. C - S - H is used as an abbreviation for calcium, silicate hydrates at an unspecified mass ratio.
    • 2O, commonly used by the cement chemistry community. C - S - H is used as an abbreviation for calcium, silicate hydrates at an unspecified mass ratio.
  • 19
    • 20644438873 scopus 로고    scopus 로고
    • G. T. Velde, F. M. Bickelhaupt, E. J. Baerends, C. F. Guerra, S. J. A. Gisbergen, J. G. Snijders, and T. J. Ziegler, J. Comput. Chem. 22, 931 (2001); ADF2004.01, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands; http://www.scm.com
    • G. T. Velde, F. M. Bickelhaupt, E. J. Baerends, C. F. Guerra, S. J. A. Gisbergen, J. G. Snijders, and T. J. Ziegler, J. Comput. Chem. 22, 931 (2001); ADF2004.01, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands; http://www.scm.com
  • 26
    • 36049004751 scopus 로고    scopus 로고
    • Previous studies have used pair potentials to describe the initial stages of silicate chain formation; however, the effects of charge transfer (related to bond breaking and bond forming) could not be properly addressed using this approach. Ab initio calculations have previously been, used for the description of silicate clusters and the substitution of Si atoms by Al or S atoms in C, S, H gel, but a systematic study of the energetics of chains as function of the length was still lacking
    • Previous studies have used pair potentials to describe the initial stages of silicate chain formation; however, the effects of charge transfer (related to bond breaking and bond forming) could not be properly addressed using this approach. Ab initio calculations have previously been, used for the description of silicate clusters and the substitution of Si atoms by Al or S atoms in C - S - H gel, but a systematic study of the energetics of chains as function of the length was still lacking.
  • 30
    • 36049017794 scopus 로고    scopus 로고
    • 2 was ∼2.5 in plain cement pastes and <1.0 in nanosilica modified cement pastes.
    • 2 was ∼2.5 in plain cement pastes and <1.0 in nanosilica modified cement pastes.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.