Beyond Poisson–Boltzmann: fluctuations and fluid structure in a self-consistent theory
Beyond Poisson–Boltzmann: fluctuations and fluid structure in a self-consistent theory
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DOI：
10.1088/0953-8984/28/34/343001
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发表时间：
2016-01
期刊：
影响因子：
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通讯作者：
S. Buyukdagli;Ralf Blossey
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文献类型：
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作者：
S. Buyukdagli;Ralf Blossey
泊松-玻尔兹曼理论是研究软物质静电学的经典方法，已被应用于许多物理化学和生物物理问题。它的本质局限性在于忽略了相关效应和流体结构。最近，一些理论见解允许以系统的方式制定超越PB理论的方法。在这篇专题综述中，我们提供了在相关校正泊松-玻尔兹曼理论的自洽公式中取得的最新进展。我们为具有均匀介电常数的连续介质静电和包含非局部效应的结构溶剂（偶极库仑流体）引入了相应的耦合非线性方程组。虽然该方法只是近似的，也仅限于所谓的弱波动状态的修正，但它允许我们包括物理相关的影响，正如我们在这些方程的一系列应用中所展示的那样。
Poisson–Boltzmann (PB) theory is the classic approach to soft matter electrostatics and has been applied to numerous physical chemistry and biophysics problems. Its essential limitations are in its neglect of correlation effects and fluid structure. Recently, several theoretical insights have allowed the formulation of approaches that go beyond PB theory in a systematic way. In this topical review, we provide an update on the developments achieved in the self-consistent formulations of correlation-corrected Poisson–Boltzmann theory. We introduce a corresponding system of coupled non-linear equations for both continuum electrostatics with a uniform dielectric constant, and a structured solvent—a dipolar Coulomb fluid—including non-local effects. While the approach is only approximate and also limited to corrections in the so-called weak fluctuation regime, it allows us to include physically relevant effects, as we show for a range of applications of these equations.