Revealing the Effect of the Length of Chains on Rubber Mechanical Properties by the Two‐Component Quantum Mechanical Gaussian Model

Abstract

AbstractThe special mechanical properties of natural rubber originate from the stretching of the network chains (i.e., cis‐1,4‐polyisoprene chains) in the rubber network. The chains with various lengths exhibit various relative extensions, leading to various normalized energy contributions to the mechanical properties of rubber. However, the stretching behaviors of cis‐1,4‐polyisoprene chains with different lengths are not studied clearly. Here, the stretching behavior, which is the basis for analyzing the normalized energy contribution, is obtained by the modified freely jointed chain model. Next, using a new statistical model, i.e., the two‐component quantum‐mechanics Gaussian (TCQMG) model, the relative extension–length relationship of network chains is determined. Combining the above results, the energy contributions of network chains with different lengths are analyzed. The results show that long and short chains show different stretching states. The following can be explained by these results: short chains play an important role in the mechanical properties of rubber. As the network chain density increases, the average length of the chains decreases, leading to the variation of the normalized extensions. It is found that the variation of the normalized extensions is responsible for both the effects of the network chain density and network chain length on the mechanical properties of rubber.