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《China Journal of Highway and Transport》 2013-03
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Study on Agglomeration Variation Pattern of Asphalt Molecules

TANG Bo-ming1,2,DING Yong-jie2,3,ZHU Hong-zhou1,2,CAO Xue-juan1,2(1.Engineering Research Center of Road Construction & Maintenance in Mountainous Area,Ministry of Education,Chongqing Jiaotong University,Chongqing 400074,China;2.School of Civil Engineering & Architecture,Chongqing Jiaotong University,Chongqing 400074,China;3.School of Chemical Engineering,China University of Petroleum,Qingdao 266580,Shandong,China)  
In order to study the chemical structure characteristics of asphalt,asphalt was divided into asphaltene,resin and maltene based on solubility parameters and polarity.Two asphalt models were established using one typical asphalt molecular to represent each component of asphalt,and the agglomeration variation pattern of asphalt molecules was analyzed with molecular dynamics method.The results show that due to stacking interactions of π-π aromatic,asphaltene layer accumulation structure is formed.But the alkane chain on asphaltenes will enlarge torsion angle between aromatic rings and weaken this effect.As the temperature increases,the torsion angle between aromatic rings increases,the layer accumulation structure between asphaltene molecules is destroyed,and the interpenetrating or vertical structures are formed.The resins and maltenes will increase the distance between asphaltenes,which makes their layer accumulation structure more stable.Asphaltenes and resins agglomerate together and disperse into maltenes,and the stability of agglomerated structure is influenced by asphaltene molecular structure.
【Fund】: 国家自然科学基金项目(51278515)
【CateGory Index】: U414
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