Effect of epoxy resin content and conversion rate on the compatibility and component distribution of epoxy asphalt: A MD simulation study

IF 7.4 1区 工程技术 Q1 CONSTRUCTION & BUILDING TECHNOLOGY
Mingyue Li, Zhaohui Min, Qichang Wang, Wei Huang, Zhiyong Shi
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引用次数: 29

Abstract

Molecular dynamics simulation technology was introduced into the characterization of epoxy asphalt performance, to display the reaction process between the epoxy resin and curing agent in epoxy asphalt clearly and explore the influence of epoxy resin content and conversion rate on the epoxy asphalt performance containing thermodynamic, compatibility, component distribution and diffusion. The reaction between the epoxy resin and curing agent was realized through Perl script, and epoxy asphalt molecular dynamics models with different resin content (25%, 45%, and 65%), and various conversion rates were prepared. Results demonstrated that the addition of epoxy resin enhanced the low-temperature performance of epoxy asphalt, but the increase in conversion rate played a negative impact on low-temperature performance. The CED and solubility parameter were synergistically affected by the epoxy resin content and conversion rate. Furthermore, the raise in the content of epoxy resin was the main reason for enhancing the compatibility between epoxy resin and asphalt. Therefore, the reasonable control of the resin content and conversion rate was beneficial to enhance the stability of the epoxy asphalt system and improve the compatibility between the resin phase and the asphalt phase. 25%-EA and 45%-EA were considered as asphalt phase materials. Aggregation behaviors exhibited between asphaltenes, and adsorption behaviors presented between epoxy resin and asphaltene. With the increase of conversion rate, the adsorption behavior gradually disappeared. 65%-EA belonged to the resin phase material, and the aggregation between asphaltenes was diminished. In addition, the epoxy resin without conversion reaction had the smooth diffusion behavior in epoxy asphalt.

环氧树脂含量和转化率对环氧沥青相容性和组分分布影响的MD模拟研究
将分子动力学模拟技术引入到环氧沥青性能表征中,清晰地展示环氧树脂与固化剂在环氧沥青中的反应过程,探讨环氧树脂含量和转化率对环氧沥青热力学、相容性、组分分布和扩散性能的影响。通过Perl脚本实现环氧树脂与固化剂的反应,制备了不同树脂含量(25%、45%、65%)和不同转化率的环氧沥青分子动力学模型。结果表明,环氧树脂的加入增强了环氧沥青的低温性能,但转化率的提高对其低温性能产生了负面影响。环氧树脂含量和转化率对CED和溶解度参数有协同影响。此外,环氧树脂含量的提高是环氧树脂与沥青相容性增强的主要原因。因此,合理控制树脂含量和转化率有利于增强环氧沥青体系的稳定性,改善树脂相与沥青相的相容性。25%-EA和45%-EA作为沥青相材料。沥青烯之间表现出聚集行为,环氧树脂与沥青烯之间表现出吸附行为。随着转化率的提高,吸附行为逐渐消失。65%-EA属于树脂相材料,沥青质之间的聚集减少。此外,未发生转化反应的环氧树脂在环氧沥青中具有平滑的扩散行为。
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来源期刊
Construction and Building Materials
Construction and Building Materials 工程技术-材料科学:综合
CiteScore
13.80
自引率
21.60%
发文量
3632
审稿时长
82 days
期刊介绍: Construction and Building Materials offers an international platform for sharing innovative and original research and development in the realm of construction and building materials, along with their practical applications in new projects and repair practices. The journal publishes a diverse array of pioneering research and application papers, detailing laboratory investigations and, to a limited extent, numerical analyses or reports on full-scale projects. Multi-part papers are discouraged. Additionally, Construction and Building Materials features comprehensive case studies and insightful review articles that contribute to new insights in the field. Our focus is on papers related to construction materials, excluding those on structural engineering, geotechnics, and unbound highway layers. Covered materials and technologies encompass cement, concrete reinforcement, bricks and mortars, additives, corrosion technology, ceramics, timber, steel, polymers, glass fibers, recycled materials, bamboo, rammed earth, non-conventional building materials, bituminous materials, and applications in railway materials.
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