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the role of configurational entropy in amorphous systems在非晶态系统构型熵的作用.pdf

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the role of configurational entropy in amorphous systems在非晶态系统构型熵的作用

Pharmaceutics 2010, 2, 224-244; doi:10.3390/pharmaceutics2020224 OPEN ACCESS pharmaceutics ISSN 1999-4923 /journal/pharmaceutics Article The Role of Conﬁgurational Entropy in Amorphous Systems Kirsten A. Graeser ,, James E. Patterson , J. Axel Zeitler and Thomas Rades ,⋆ School of Pharmacy, University of Otago, Dunedin, New Zealand Pharmaceutical Development, GlaxoSmithKline, Harlow, CM19 5AW, UK Department of Chemical Engineering and Biotechnology, University of Cambridge, Pembroke Street, Cambridge CB2 3RA, UK ⋆ Author to whom correspondence should be addressed; E-Mail: thomas.rades@otago.ac.nz; Tel.: +64 3 479 5410; Fax: +64 3 479 7034. Received: 30 March 2010; in revised form: 18 May 2010 / Accepted: 21 May 2010 / Published: 25 May 2010 Abstract: Conﬁgurational entropy is an important parameter in amorphous systems. It is involved in the thermodynamic considerations, plays an important role in the molecular mobility calculations through its appearance in the Adam-Gibbs equation and provides information on the solubility increase of an amorphous form compared to its crystalline counterpart. This paper presents a calorimetric method which enables the scientist to quickly determine the values for the conﬁgurational entropy at any temperature and obtain the maximum of information from these measurements. Keywords: conﬁgurational entropy; amorphous; molecular mobility; solubility 1. Introduction In recent years the amorphous state has gained increasing interest in pharmac