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arXiv 1609.02773cond-mat.soft
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活性体系中的化学势:从体相状态方程预测相平衡?

Chemical potential in active systems: predicting phase equilibrium from bulk equations of state?

Siddharth Paliwal, Jeroen Rodenburg, René van Roij, Marjolein Dijkstra

摘要:

我们推导出一个微观表达式的数量$μ$,起着作用的活性布朗粒子(ABPs)的化学势在一个稳定的状态下,在没有旋涡。我们发现,$μ$包括(i)一个固有的化学势类似于被动系统,这取决于密度和自推进速度,但不依赖于外部电位,(ii)外部电位,和(iii)一个新推导的单体游泳电位由于粒子的活动。我们对活性布朗粒子的模拟结果与Fokker-Planck的计算结果吻合得很好,并证实了对于平面几何中的几种非均匀活性流体,在其稳态下,$μ(z)$是空间常数.最后,我们表明,ABPs与平面界面的相共存,不仅满足机械,而且扩散平衡。的共存可以很好地描述,通过等同的体积化学势和体积压力从批量模拟系统具有低活性,但需要明确的评价界面的贡献在高活性。

英文摘要:

We derive a microscopic expression for a quantity $μ$ that plays the role of chemical potential of Active Brownian Particles (ABPs) in a steady state in the absence of vortices. We show that $μ$ consists of (i) an intrinsic chemical potential similar to passive systems, which depends on density and self-propulsion speed, but not on the external potential, (ii) the external potential, and (iii) a newly derived one-body swim potential due to the activity of the particles. Our simulations on active Brownian particles show good agreement with our Fokker-Planck calculations, and confirm that $μ(z)$ is spatially constant for several inhomogeneous active fluids in their steady states in a planar geometry. Finally, we show that phase coexistence of ABPs with a planar interface satisfies not only mechanical but also diffusive equilibrium. The coexistence can be well-described by equating the bulk chemical potential and bulk pressure obtained from bulk simulations for systems with low activity but requires explicit evaluation of the interfacial contributions at high activity.

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