Blavatska V, Haydukivska K, Holovatch Yu
Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine, 79011 Lviv, Ukraine.
L4Collaboration & Doctoral College for the Statistical Physics of Complex Systems, Leipzig-Lorraine-Lviv-Coventry, Europe.
J Phys Condens Matter. 2020 May 20;32(33). doi: 10.1088/1361-648X/ab88f4.
We propose the model of a random polymer network, formed on the base on Erdös-Rényi random graph. In the language of mathematical graphs, the chemical bonds between monomers can be treated as vertices, and their chemical functionalities as degrees of these vertices. We consider graphs with fixed number of vertices= 5 and variable parameter(connectedness), defining the total number of links=(- 1)/2 between vertices. Each link in such graphs is treated as a Gaussian polymer chain. The universal rotationally invariant size and shape characteristics, such as averaged asphericity and size ratio of such structures are obtained both numerically by application of Wei's method and analytically within the continuous chain model. In particular, our results quantitatively indicate an increase of asymmetry of polymer network structure when its connectednessdecreases.
我们提出了一种基于厄多斯-雷尼随机图构建的随机聚合物网络模型。用数学图论的语言来说,单体之间的化学键可视为顶点,而它们的化学官能度则视为这些顶点的度数。我们考虑具有固定顶点数(= 5)和可变参数(连通性)的图,该参数定义了顶点之间的总链接数(= (v - 1)/2)。此类图中的每条链接都被视为一条高斯聚合物链。通过应用魏氏方法以数值方式以及在连续链模型内以解析方式,都获得了诸如平均非球度和此类结构的尺寸比等通用的旋转不变尺寸和形状特征。特别是,我们的结果定量地表明,当聚合物网络结构的连通性降低时,其不对称性会增加。