论文标题
对伪硬球体自扩散的热力学状态的依赖
Dependence on the thermodynamic state of self-diffusion of pseudo hard-spheres
论文作者
论文摘要
在与伪硬球潜力相互作用的粒子系统中，自扩散，$ d $。与溶剂的耦合由Langevin恒温器表示，其特征在于阻尼时间$ T_D $。假设提出了$ d =d_0φ$，其中$ d_0 $是小浓度扩散率，$φ$是一种热力学函数，代表随着浓度的增加而表示相互作用的效果。分子动力学模拟表明，噪声强度的不同值修改$ d_0 $，但不修改$φ$。该结果与假设$φ$是热力学函数的假设一致，因为热力学状态不通过阻尼和噪声的存在来改变。
Self-diffusion, $D$, in a system of particles that interact with a pseudo hard sphere potential is analyzed. Coupling with a solvent is represented by a Langevin thermostat, characterized by the damping time $t_d$. The hypotheses that $D=D_0 φ$ is proposed, where $D_0$ is the small concentration diffusivity and $φ$ is a thermodynamic function that represents the effects of interactions as concentration is increased. Molecular dynamics simulations show that different values of the noise intensity modify $D_0$ but do not modify $φ$. This result is consistent with the assumption that $φ$ is a thermodynamic function, since the thermodynamic state is not modified by the presence of damping and noise.
