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Volumn 63, Issue 12, 1998, Pages 3821-3830

Estimating the Entropic Cost of Self-Assembly of Multiparticle Hydrogen-Bonded Aggregates Based on the Cyanuric Acid-Melamine Lattice

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Indexed keywords


EID: 0000913277     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo970944f     Document Type: Article
Times cited : (392)

References (36)
  • 12
    • 0010528632 scopus 로고
    • McGraw-Hill: New York
    • A value of R ln 2 was added to the value predicted by eq 2 for all alkali metals. This correction accounts for the 2-fold degenracy of the lowest electronic state in these metals. A discussion of this effect can be found in Chapter 4 of Gurney, R. W. Introduction to Statistical Mechanics; McGraw-Hill: New York, 1949.
    • (1949) Introduction to Statistical Mechanics
    • Gurney, R.W.1
  • 13
    • 85034486011 scopus 로고    scopus 로고
    • note
    • rot ≪ kT) at temperatures greater than ∼10 K that this classical expression is accurate, and quantization of the energy levels can be ignored.
  • 14
    • 85034486225 scopus 로고    scopus 로고
    • note
    • 2), where M is in g/mol.
  • 17
    • 85034478801 scopus 로고    scopus 로고
    • note
    • ass for aggregates 1-3.
  • 21
    • 85034480633 scopus 로고    scopus 로고
    • note
    • The packing fraction in organic solids appears to vary much more widely than that for liquids and is <10% in one limit (diamond and graphite) and can be <65% (buckyballs).
  • 23
    • 85034460958 scopus 로고    scopus 로고
    • note
    • We have examined benzene, toluene, methylene chloride, tetrahydrofuran, diethyl ether, and pyridine. For these solvents, the free volume theory is accurate (less than 10% error), and the excluded volume theory is not. The value of entropy of condensation for some protic solvents (acetic acid, methanol, ethanol) is predicted reasonably well (less than 20% error) by free volume theory but poorly by excluded volume. The value of the entropy of condensation for water is predicted poorly (greater than 30% error) by both methods.
  • 30
    • 85034487550 scopus 로고    scopus 로고
    • note
    • Formally, the partition function should be an integral over momenta as well potential energy. Since the temperature in our system is assumed to be constant, the kinetic energy component (momenta) of the partition function will be constant and is therefore ignored in our analysis.
  • 31
    • 85034469033 scopus 로고    scopus 로고
    • note
    • -1. This value is twice that predicted by the B-R&S model.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.