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Structure of charged poly(propylene imine) dendrimers: Theoretical investigation

机译：带电聚（亚丙基亚胺）树状大分子的结构：理论研究

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A mean-field model for charged dendrimers has been elaborated and applied to Astramol clenchimers of 5(th) generation in salt-free solution. The free energy of a dendrimer molecule was minimized with respect to the dendrimer size and to the profile of counterion distribution. The model of highly stretched freely jointed chain was used to describe the elasticity of long branches, the dissociated groups were assumed to be localized mostly on the periphery of the molecule, and the electrostatic interactions were described in the Poisson-Boltzmann approximation. It was found that the osmotic pressure of counterions leads to moderate expansion of dendrimer molecules upon charging, and a significant fraction of counterions is localized within the dendrimer molecule under typical experimental conditions. [References: 27]
机译：阐述了带电树枝状大分子的平均场模型，并将其应用于无盐溶液中第5代Astramol咬合剂。相对于树枝状聚合物的大小和抗衡离子分布的分布，树枝状聚合物分子的自由能被最小化。使用高度拉伸的自由连接链模型描述长分支的弹性，假定离解基团主要位于分子的外围，静电相互作用用Poisson-Boltzmann近似描述。发现抗衡离子的渗透压导致带电时树枝状聚合物分子的适度膨胀，并且在典型的实验条件下，很大一部分抗衡离子位于树枝状聚合物分子内。 [参考：27]

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