The Impact of Liquid Crystalline Phase Ordering on the Thermodynamic Scaling of Itraconazole

被引:7
作者
Heczko, Dawid [1 ]
Kaminska, Ewa [1 ]
Tarnacka, Magdalena [2 ,3 ]
Koperwas, Kajetan [2 ,3 ]
Dzienia, Andrzej [4 ]
Chorazewski, Miroslaw Adam [4 ]
Kaminski, Kamil [2 ,3 ]
Paluch, Marian [2 ,3 ]
机构
[1] Med Univ Silesia, Sch Pharm, Dept Pharmacognosy & Phytochem, Div Lab Med Sosnowiec, Ul Jagiellonska 4, PL-41200 Sosnowiec, Poland
[2] Univ Silesia, Inst Phys, Ul 75 Pulku Piechoty 1, PL-41500 Chorzow, Poland
[3] Univ Silesia, Silesian Ctr Educ & Interdisciplinary Res, Ul 75 Pulku Piechoty 1A, PL-41500 Chorzow, Poland
[4] Univ Silesia, Inst Chem, Ul Szkolna 9, PL-40006 Katowice, Poland
关键词
MOLEKULAR-STATISTISCHE THEORIE; TEMPERATURE-DEPENDENCE; ORIENTATIONAL ORDER; GLASSY ITRACONAZOLE; MOLECULAR-DYNAMICS; NEMATIC PHASE; HIGH-PRESSURE; RELAXATION; DENSITY; TRANSITION;
D O I
10.1021/acs.jpcc.8b12074
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Herein, we tested the validity of the thermodynamic scaling of two (alpha and (delta) relaxation processes observed in the isotropic and nematic phases of itraconazole, that is classified as a liquid crystal (LC). As illustrated, relaxation times of both processes obtained at various thermodynamic conditions can be successfully superposed over 1/TV gamma with different scaling exponents, gamma, satisfying the thermodynamic scaling law. However, it was found that gamma parameters determined in the isotropic phase are higher than those estimated for respective relaxation processes in the nematic state [J. Chem. Phys. 2015, 142, 224507]. It seems that differences in the arrangements of molecules within LC phases significantly affect the effective intermolecular potential resulting in the variation of scaling exponent and disagreement between gamma and gamma(EOS) (estimated from the equation of state). The observed behavior suggests that both variables depend not only on the intermolecular potential but also on the degree of molecular ordering.
引用
收藏
页码:4558 / 4566
页数:9
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