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Title:

Study on Interface Behavior Between Asphalt and Silica in Aggregate Based on Molecular Dynamics

Accession Number:

01590349

Record Type:

Component

Abstract:

The asphalt-aggregate interface behavior is dependent on various factors, including chemical compositions of asphalt, acid-base property and surface characteristic of aggregate as well as the temperature. In this paper, the asphalt is separated into asphaltenes, resins and saturates, and silica is selected to represent the main chemical component in aggregate. The molecule models for different chemical components are established as well as their interface models between each asphalt component and silica by using Materials Studio program. Then, Molecular Dynamics (MD) simulations are conducted at the temperature from 0 °C to 180 °C, and the interface energy is calculated to evaluate interface behavior. It is found that the interface energies between resin, asphaltene and silica increase with temperature ranging from 0 °C to 25 °C, and decrease from 25 °C to 180 °C. However, the interface energy between saturate and silica monotonously increases with temperature from 0 °C to 180 °C. The interface energy between resin and silica is the biggest in the simulation temperature domain, and then is between asphaltene and silica. The interface energy between saturate and silica is far lower at the low temperature, but may be bigger at the temperature higher than 160 °C.

Supplemental Notes:

This paper was sponsored by TRB committee AFK20 Standing Committee on Characteristics of Asphalt Materials. Alternate title: Study on the Interface Behavior between Asphalt and the Silica in Aggregate Based on Molecular Dynamics.

Monograph Accession #:

01584066

Report/Paper Numbers:

16-3622

Language:

English

Corporate Authors:

Transportation Research Board

500 Fifth Street, NW
Washington, DC 20001 United States

Authors:

Zhang, Jiupeng
Chen, Zixuan
Du, Hui
Li, Rui
Pei, Jianzhong

Pagination:

11p

Publication Date:

2016

Conference:

Transportation Research Board 95th Annual Meeting

Location: Washington DC, United States
Date: 2016-1-10 to 2016-1-14
Sponsors: Transportation Research Board

Media Type:

Digital/other

Features:

Figures; References; Tables

Subject Areas:

Highways; Materials; Pavements; I31: Bituminous Binders and Materials

Source Data:

Transportation Research Board Annual Meeting 2016 Paper #16-3622

Files:

TRIS, TRB, ATRI

Created Date:

Jan 12 2016 5:35PM