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Volumn 8, Issue 11, 2008, Pages 4185-4189

Physicochemically relevant modeling of nucleation-and-growth kinetics: Investigation of additive effects on the solvent-mediated phase transformation of carbamazepine

(1)  Skrdla, Peter J a  

a NONE   (United States)

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EID: 61549135396     PISSN: 15287483     EISSN: 15287505     Source Type: Journal    
DOI: 10.1021/cg8007427     Document Type: Article
Times cited : (18)

References (43)
  • 28
    • 0004294969 scopus 로고
    • 3rd ed, Butterworth-Heinemann, Oxford
    • Mullin, J. W. Crystallization, 3rd ed.; Butterworth-Heinemann, Oxford, 1992; pp 175-176.
    • (1992) Crystallization , pp. 175-176
    • Mullin, J.W.1
  • 30
    • 61549106327 scopus 로고    scopus 로고
    • The author's dispersive kinetic approach/models has/have already been validated using Collision Theory (CT)14 and (time-dependent) Marcus Theory (Mr/Transition State Theory (TST, The latter theories propose a link between kinetic and thermodynamic quantities, for simple electron and proton transfer reactions. Coupling the TST approach with CT outcomes, it is possible to show that, for a simple equilibrium process, A ⇆B, the standard Gibbs free energy change of reaction, ΔG° rxn, is given by ΔG° rxn, Ea,1-Ea,-1, RT ln(Λ1/Λ-1) were Ea,1 represents the activation energy for the forward reaction, E a,-1 is the activation energy for the back reaction, R is the gas constant, T is the absolute temperature, and Λ1, Λ-1 are the forward and reverse reaction frequency factors, respectively. From the
    • a,1 (thus providing a direct link between the kinetic and thermodynamic energies, without inclusion of the inner/ outer-sphere reorganization energy), it is clear that the equilibrium process should ideally denote an isotope exchange reaction, as the species A and B need to have nearly identical mean speeds (neglecting, here, dispersion in the kinetic energies) as well as size and geometry.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.