Nishi Kengo, Noguchi Hiroshi, Sakai Takamasa, Shibayama Mitsuhiro
Institute for Solid State Physics, The University of Tokyo, 5-1-5 Kashiwanoha, Kashiwa, Chiba 277-8581, Japan.
Department of Bioengineering, School of Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656, Japan.
J Chem Phys. 2015 Nov 14;143(18):184905. doi: 10.1063/1.4935395.
A theory describing the elastic modulus for percolation networks of Gaussian chains on general lattices such as square and cubic lattices is proposed and its validity is examined with simulation and mechanical experiments on well-defined polymer networks. The theory was developed by generalizing the effective medium approximation (EMA) for Hookian spring network to Gaussian chain networks. From EMA theory, we found that the ratio of the elastic modulus at p, G to that at p = 1, G0, must be equal to G/G0 = (p - 2/f)/(1 - 2/f) if the position of sites can be determined so as to meet the force balance, where p is the degree of cross-linking reaction. However, the EMA prediction cannot be applicable near its percolation threshold because EMA is a mean field theory. Thus, we combine real-space renormalization and EMA and propose a theory called real-space renormalized EMA, i.e., REMA. The elastic modulus predicted by REMA is in excellent agreement with the results of simulations and experiments of near-ideal diamond lattice gels.
提出了一种描述高斯链在诸如正方形和立方晶格等一般晶格上的渗流网络弹性模量的理论,并通过对定义明确的聚合物网络进行模拟和力学实验来检验其有效性。该理论是通过将胡克弹簧网络的有效介质近似(EMA)推广到高斯链网络而发展起来的。根据EMA理论,我们发现,如果能够确定位点的位置以满足力平衡,那么在交联反应程度为p时的弹性模量G与在p = 1时的弹性模量G0之比必须等于G/G0 = (p - 2/f)/(1 - 2/f),其中p是交联反应程度。然而,EMA预测在其渗流阈值附近不适用,因为EMA是一种平均场理论。因此,我们将实空间重整化与EMA相结合,提出了一种称为实空间重整化EMA(即REMA)的理论。REMA预测的弹性模量与近理想金刚石晶格凝胶的模拟和实验结果非常吻合。