Using of rubber asphalt can both promote the recycling of waste tires and improve the performance of asphalt pavement. However, the segregation of rubber asphalt caused by the poor storage stability always appears during its application. Storage stability of asphalt and rubber is related to the compatibility and also influenced by rubber content. In this study, molecular models of different rubbers and chemical fractions of asphalt were built to perform the molecular dynamics simulation. The solubility parameter and binding energy between rubber and asphalt were obtained to evaluate the compatibility between rubber and asphalt as well as the influence of rubber content on compatibility. Results show that all three kinds of rubber are commendably compatible with asphalt, where the compatibility between asphalt and cispolybutadiene rubber (BR) is the best, followed by styrene-butadiene rubber (SBR), and natural rubber (NR) is the worst. The optimum rubber contents for BR asphalt, SBR asphalt, and NR asphalt were determined as 15%, 15%, and 20%, respectively. In addition, the upper limits of rubber contents were found as between 25% and 30%, between 20% and 25%, and between 25% and 30%, respectively.

中文翻译：

---

基于分子动力学模拟的橡胶与沥青相容性评价

使用橡胶沥青既可以促进废轮胎的回收利用，又可以改善沥青路面的性能。然而，在其应用过程中，总是会出现由于储存稳定性差而引起的橡胶沥青的偏析。沥青和橡胶的储存稳定性与相容性有关，还受橡胶含量的影响。在这项研究中，建立了不同橡胶和沥青化学成分的分子模型来进行分子动力学模拟。获得了溶解性参数和橡胶与沥青之间的结合能，以评估橡胶与沥青之间的相容性以及橡胶含量对相容性的影响。结果表明，三种橡胶均与沥青相容，沥青与顺式聚丁二烯橡胶（BR）的相容性最佳，其次是丁苯橡胶（SBR），天然橡胶（NR）的相容性最差。确定BR沥青，SBR沥青和NR沥青的最佳橡胶含量分别为15％，15％和20％。另外，发现橡胶含量的上限分别为25％至30％，20％至25％以及25％至30％。