首页> 外文期刊>The Journal of Chemical Physics >HYDRODYNAMIC CALCULATION OF THE FREQUENCY DEPENDENT FRICTION ON THE BOND OF A DIATOMIC MOLECULE
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HYDRODYNAMIC CALCULATION OF THE FREQUENCY DEPENDENT FRICTION ON THE BOND OF A DIATOMIC MOLECULE

机译:双分子分子键的频率依赖性摩擦的水力计算

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In this paper molecular hydrodynamics is used to calculate the dynamic friction on the intramolecular vibrational coordinate of a homonuclear diatomic molecule dissolved in a simple liquid. The predicted dynamic friction is then compared to recent computer experiments. Agreement with the experimental dynamic function is obtained when the linearized hydrodynamics is modified to include Gaussian viscoelasticity and compressibility. The hydrodynamic friction on the bond appears to agree qualitatively very well, although quantitative agreement is not found at high frequencies. Various limits of the hydrodynamic friction are discussed. (C) 1995 American Institute of Physics. [References: 25]
机译:在本文中,分子流体动力学用于计算在简单液体中溶解的同核双原子分子在分子内振动坐标上的动摩擦。然后将预测的动态摩擦与最近的计算机实验进行比较。当线性化的流体动力学被修改为包括高斯粘弹性和可压缩性时,获得与实验动力学函数的一致性。尽管在高频下未发现定量一致,但键上的流体动力摩擦似乎在质量上非常吻合。讨论了流体动力摩擦的各种极限。 (C)1995年美国物理研究所。 [参考:25]

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