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非晶态固体和超粘性对乙酰氨基酚中分子运动的介电研究。

Dielectric studies of molecular motions in amorphous solid and ultraviscous acetaminophen.

作者信息

Johari G P, Kim S, Shanker Ravi M

机构信息

Department of Materials Science and Engineering, McMaster University, Hamilton, Ont, L8S 4L7, Canada.

出版信息

J Pharm Sci. 2005 Oct;94(10):2207-23. doi: 10.1002/jps.20455.

Abstract

The dielectric permittivity and loss spectra of glassy and ultraviscous states of acetaminophen have been measured over the frequency range 10 Hz-0.4 MHz. The relaxation spectra show an asymmetric distribution of times expressed in terms of the Kohlrausch exponent, beta, which remains constant at 0.79+/-0.02 over the 305-341 K range. The dielectric relaxation time increases on cooling according to the Vogel-Fulcher-Tammann equation. However, the values of the parameters are considerably different from the values deduced from earlier work by other researchers using the heat capacity of ultraviscous acetaminophen and relating it to its molecular mobility. The calorimetric glass softening temperature of 296 K obtained from differential scanning calorimetry is close to the value measured from dielectric relaxation. The equilibrium permittivity of ultraviscous acetaminophen decreases on heating like that of a normal dipolar liquid, as anticipated from the Curie law. But, its value decreases rapidly with time when it begins to crystallize. The equilibrium permittivity of this crystal phase is approximately 3.1 at 300 K and increases with temperature, which indicates a partial, orientational-disordering of its structure. The results show limitations of the procedures used in the modeling of the kinetics of molecular motions, that is, estimating physical stability, using thermodynamic considerations based on thermal analyses of the amorphous solid phase of acetaminophen.

摘要

对乙酰氨基酚玻璃态和超粘态的介电常数和损耗谱在10 Hz - 0.4 MHz频率范围内进行了测量。弛豫谱显示出以科尔劳施指数β表示的时间的不对称分布,在305 - 341 K范围内β保持恒定,为0.79±0.02。根据Vogel - Fulcher - Tammann方程,介电弛豫时间在冷却时增加。然而,这些参数的值与其他研究人员早期使用超粘态对乙酰氨基酚的热容并将其与分子迁移率相关联得出的值有很大不同。通过差示扫描量热法获得的量热玻璃软化温度296 K与从介电弛豫测量得到的值相近。如居里定律所预期的那样,超粘态对乙酰氨基酚的平衡介电常数在加热时像正常偶极液体一样降低。但是,当它开始结晶时,其值随时间迅速降低。该晶相在300 K时的平衡介电常数约为3.1,并且随温度升高,这表明其结构存在部分取向无序。结果表明了在对乙酰氨基酚非晶固相进行热分析的基础上,利用热力学考虑来估计物理稳定性的分子运动动力学建模中所使用程序的局限性。

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