메뉴 건너뛰기




Volumn 43, Issue 17, 2004, Pages 2239-2243

Surface structure of organoclays

Author keywords

Computer chemistry; Conformation analysis; Molecular dynamics; Organic inorganic interfaces; Phase diagrams

Indexed keywords

MICA; SURFACE STRUCTURE; THERMODYNAMICS;

EID: 4544344219     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200352747     Document Type: Article
Times cited : (87)

References (27)
  • 18
    • 4544232050 scopus 로고    scopus 로고
    • note
    • The parameter for the periodic boundary condition in z direction is chosen > 4 nm larger than the z extension of the real system so that interactions in this direction are negligible.
  • 21
    • 1642626346 scopus 로고    scopus 로고
    • Molecular Simulations, San Diego, CA
    • 2 and Discover program. Discover User Guide, Version 96.0/4.0.0, Molecular Simulations, San Diego, CA, 1996.
    • (1996) Discover User Guide, Version 96.0/4.0.0
  • 22
    • 4544336483 scopus 로고    scopus 로고
    • note
    • The moduli are approximated in z direction from the compressibility of liquid n-hexadecane and in the x and the y directions from the elastic modulus for mica, which is reduced to approximately 20% owing to intercalation of the organic layers.
  • 27
    • 4544323536 scopus 로고    scopus 로고
    • note
    • 2); R is the universal gas constant and n the total amount of ions.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.