论文标题
偶极聚合物凝胶静电塌陷的分子理论
Molecular theory of electrostatic collapse of dipolar polymer gels
论文作者
论文摘要
我们开发了一种新的液相偶极聚合物凝胶的定量分子理论。我们将聚合物网络的单体单元建模为几个带有波动距离的电荷位点。在随机相近似中，我们首次获得了偶极凝胶静电能的分析表达。根据偶极 - 偶极相互作用的耦合参数以及偶极长度与亚链库恩长度的比率，我们描述了良好溶剂方案中静电相互作用引起的凝胶塌陷作为一阶相变。可以在系统的合理物理参数（温度，溶剂介电常数和单体单元的偶极矩）下实现此转变。获得的结果可以可能用于刺激反应性聚合物凝胶和微凝胶的现代应用，例如药物输送，纳米反应器，分子摄取，涂料，超级吸附剂等。
We develop a new quantitative molecular theory of liquid-phase dipolar polymer gels. We model monomer units of the polymer network as a couple of charged sites separated by a fluctuating distance. For the first time, within the random phase approximation, we have obtained an analytical expression for the electrostatic free energy of the dipolar gel. Depending on the coupling parameter of dipole-dipole interactions and the ratio of the dipole length to the subchain Kuhn length, we describe the gel collapse induced by electrostatic interactions in the good solvent regime as a first-order phase transition. This transition can be realized at reasonable physical parameters of the system (temperature, solvent dielectric constant, and dipole moment of monomer units). The obtained results could be potentially used in modern applications of stimuli-responsive polymer gels and microgels, such as drug delivery, nanoreactors, molecular uptake, coatings, superabsorbents, etc.
