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Asphalt aging and its anti-aging mechanism based on quantum chemistry

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成果类型:
期刊论文
作者:
Wang, Chao;Tian, Xiao Ge;Wang, Yadong;Li, Guangyao
通讯作者:
Wang, C
作者机构:
[Wang, C; Wang, Chao; Li, Guangyao; Tian, Xiao Ge] Changsha Univ Sci & Technol, Sch Traff & Transportat, 960,Wanjiali South Rd,Sect 2, Changsha 410000, Peoples R China.
[Wang, Yadong] Jiangsu JITRI Rd Engn Technol & Equipment Res Inst, 12 Lucky Rd,Lanhaiwan Engn Equipment Ind Pk,Xuzhou, Zhenjiang 221000, Jiangsu, Peoples R China.
通讯机构:
[Wang, C ] C
Changsha Univ Sci & Technol, Sch Traff & Transportat, 960,Wanjiali South Rd,Sect 2, Changsha 410000, Peoples R China.
语种:
英文
关键词:
Asphalt;Asphalt aging mechanism;Density Functional;Frontier Orbital;Fukui Functions
期刊:
Case Studies in Construction Materials
ISSN:
2214-5095
年:
2024
卷:
20
页码:
e02802
基金类别:
National Natural Science Foundation of China [51978086, 52278438]; Changsha University of Science and Technology Graduate Research Innovation Project [CSLGCX23014]
机构署名:
本校为第一且通讯机构
院系归属:
交通运输工程学院
摘要:
To study asphalt aging and its anti-aging mechanism, the Frontier Orbital theory, Fukui Function, and Density Functional Theory are applied.The data reveals that 65 nm UV light can dissociate O2 into O radicals during UV aging. Among the resin components, sulfur (S) exhibits the highest radical attack index (f0) of 0.131. Resin molecules absorb UV light at 344 nm and 311 nm, leading to pi electron transitions in S with a 28% probability. This result aligns with f0, indicating that f0 adequately reflects chemical reactivity. Resin molecules with electron transitions in S can form sulfoxide by c...

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