Title:
MOLECULAR DYNAMICS EVALUATION METHOD FOR ADHESION BETWEEN ASPHALT-AGGREGATE BASED ON EMULSIFIER
Document Type and Number:
WIPO Patent Application WO/2022/068158
Kind Code:
A1
Abstract:
A molecular dynamics evaluation method for adhesion between asphalt-aggregate based on an emulsifier. The method comprises: constructing an asphalt system amorphous unit cell model, an aggregate super-cell model, and an emulsifier system amorphous unit cell model on the basis of materials studio software; constructing an asphalt layer-aggregate layer model and an asphalt layer-emulsifier layer-aggregate layer model by a build layer tool; and using Energy task calculation of a Forcite module to obtain the work of adhesion between the asphalt-aggregate when there is not an emulsifier layer or there is an emulsifier layer. The method quantitatively obtains the influence of the emulsifier on interfacial adhesion between the asphalt-aggregate, has high accuracy, avoids the subjectivity of traditional experimental methods, has simple operation steps, and can accurately estimate the influence difference of different emulsifiers on the interfacial adhesion between the asphalt-aggregate so as to guide the application of emulsified asphalt.
Inventors:
SU GUOCHENG (CN)
YU JIANGMIAO (CN)
VAIDYA MIJASH (CN)
YU JIANGMIAO (CN)
VAIDYA MIJASH (CN)
Application Number:
PCT/CN2021/083789
Publication Date:
April 07, 2022
Filing Date:
March 30, 2021
Export Citation:
Assignee:
UNIV SOUTH CHINA TECH (CN)
International Classes:
G16C10/00
Foreign References:
| CN112233728A | 2021-01-15 | |||
| CN111161808A | 2020-05-15 | |||
| CN105468840A | 2016-04-06 | |||
| CN111505253A | 2020-08-07 |
Other References:
CAO HUIPING: "Molecular Dynamics Simulation of Mass Transfer Mechanism between Chemical Composition of Aggregate and Emulsifier", SCIENCE & ENGINEERING (B), CHINA MASTER’S THESES FULL-TEXT DATABASE, 15 March 2018 (2018-03-15), XP055918728
Attorney, Agent or Firm:
ADVANCE CHINA IP LAW OFFICE (CN)
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