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High pressure study of molecular dynamics of protic ionic liquid lidocaine hydrochloride

机译:质子离子液体盐酸利多卡因分子动力学的高压研究

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In this paper, we investigate the effect of pressure on the molecular dynamics of protic ionic liquid lidocaine hydrochloride, a commonly used pharmaceutical, by means of dielectric spectroscopy and pressure-temperature-volume methods. We observed that near Tg the pressure dependence of conductivity relaxation times reveals a peculiar behavior, which can be treated as a manifestation of decoupling between ion migration and structural relaxation times. Moreover, we discuss the validity of thermodynamic scaling in lidocaine HCl.We also employed the temperature-volume Avramov model to determine the value of pressure coefficient of glass transition temperature, dTg/dP|P = 0.1. Finally, we investigate the role of thermal and density fluctuations in controlling of molecular dynamics of the examined compound.
机译:在本文中,我们通过介电谱法和压力-温度-体积法研究了压力对质子离子液体盐酸利多卡因盐酸盐分子动力学的影响。我们观察到,在Tg附近,电导率弛豫时间的压力依赖性揭示了一种特殊的行为,可以将其视为离子迁移与结构弛豫时间之间解耦的表现。此外,我们还讨论了热力学定标在盐酸利多卡因中的有效性。我们还使用温度-体积Avramov模型确定玻璃化转变温度的压力系数值,dTg / dP | P = 0.1。最后,我们研究了热和密度波动在控制所研究化合物的分子动力学中的作用。

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