论文标题
反应性胶体不均匀悬浮液的结构和位置依赖性特性
Structure and position-dependent properties of inhomogeneous suspensions of responsive colloids
论文作者
论文摘要
响应式颗粒（例如生物乳清分子或水凝胶）显示构象的宽且多型的分布，因此具有基本上响应外部环境或局部环境（例如，由宇宙介导或pH）更改其性能（例如，大小，形状，电荷密度等）的能力。在这里，我们通过在正式的粗粒度程序中引入额外的属性自由度作为集体变量，讨论响应胶体模型（RC）模型的基本统计力学。后者在粗粒（CG）自由能中导致额外的单体项，定义了单个polyDisperse RC的单粒子性质分布。我们认为，在热力学限制中，这种RCS的CG系统的表现就像是无反应颗粒的常规多分散系统。然后，我们说明了外部场的作用，外部磁场的作用施加了局部（位置依赖性的）性质分布，从而导致对空间一体性质和密度曲线的非平凡作用，即使是理想的（非相互作用）RC的气体。 We finally apply density functional theory in the local density approximation (LDA-DFT) to discuss the effects of particle interactions for specific examples of i) a suspension of RCs in an external field linear in both position and property, ii) a suspension of RCs with highly localized properties (sizes) confined between two walls, and iii) a two-component suspension where an inhomogeneously distributed (non-responsive) cosolute component,如发现，在研究热敏感聚合物的渗透或盐诱导的塌陷/肿胀过渡中，修饰了RC液体的局部性能和密度。
Responsive particles, such as biomacromolecules or hydrogels, display a broad and polymodal distribution of conformations and have thus the ability to change their properties (e.g, size, shape, charge density, etc.) substantially in response to external fields or to their local environment (e.g., mediated by cosolutes or pH). Here, we discuss the basic statistical mechanics for a model of responsive colloids (RCs) by introducing an additional property degree of freedom as a collective variable in a formal coarse-graining procedure. The latter leads to an additional one-body term in the coarse-grained (CG) free energy, defining a single-particle property distribution for an individual polydisperse RC. We argue that in the equilibrium thermodynamic limit such a CG system of RCs behaves like a conventional polydisperse system of non-responsive particles. We then illustrate the action of external fields, which impose local (position-dependent) property distributions leading to non-trivial effects on the spatial one-body property and density profiles, even for an ideal (non-interacting) gas of RCs. We finally apply density functional theory in the local density approximation (LDA-DFT) to discuss the effects of particle interactions for specific examples of i) a suspension of RCs in an external field linear in both position and property, ii) a suspension of RCs with highly localized properties (sizes) confined between two walls, and iii) a two-component suspension where an inhomogeneously distributed (non-responsive) cosolute component, as found, e.g., in the studies of osmolyte- or salt-induced collapse/swelling transitions of thermosensitive polymers, modifies the local properties and density of the RC liquid.
