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作 者:WANG Yanghui DING Yongjie LI Danli CAO Zhilong SUN Guoqiang MEI Zijun 王仰辉;丁勇杰
机构地区:[1]Department of Road and Urban Railway Engineering,Beijing University of Technology,Beijing 100124,China [2]School of Civil Engineering,Chongqing Jiaotong University,Chongqing 400074,China [3]Shanghai Municipal Engineering Design Instit,Shanghai 230031,China
出 处:《Journal of Wuhan University of Technology(Materials Science)》2024年第5期1278-1286,共9页武汉理工大学学报(材料科学英文版)
基 金:Funded by the National Natural Science Foundation of China(No.52008069)。
摘 要:Modifying agents 2,2-Bis(4-glycidyloxyphenyl)propane(2BPE)and dibutyl phthalate(DBP)were selected to enhance the compatibility.By using molecular simulation software(Materials Studio,MS),nine systems were constructed,including molecular models of aged asphalt and WVO monomers with 2BPE and/or DBP.The solubility parameters,Flory-Huggins parameters,and interaction energies of these systems were calculated to determine the impact of 2BPE and DBP on the compatibility of WVO and aged asphalt.Results showed that the addition of 2BPE and DBP reduced the difference in the solubility parameters between WVO and aged asphalt,thus improving the compatibility between WVO and aged asphalt.Additionally,using a combination of 2BPE and DBP in both aged asphalt and rejuvenator was found to be more effective than using either 2BPE or DBP alone.Finally,it was determined that evaluating the compatibility of WVO and aged asphalt using Van der Waals potential and non-bonding energy as evaluation indicators was more accurate than using electrostatic potential energy.
关 键 词:road engineering aged asphalt compatibility molecular dynamics solubility parameter Flory-Huggins parameter
分 类 号:U414[交通运输工程—道路与铁道工程] TE626.86[石油与天然气工程—油气加工工程]
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