Self-healing behavior of asphalt system based on molecular dynamics simulation

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68407700%3A21110%2F20%3A00341104" target="_blank" >RIV/68407700:21110/20:00341104 - isvavai.cz</a>

Výsledek na webu

<a href="https://doi.org/10.1016/j.conbuildmat.2020.119225" target="_blank" >https://doi.org/10.1016/j.conbuildmat.2020.119225</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.conbuildmat.2020.119225" target="_blank" >10.1016/j.conbuildmat.2020.119225</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Self-healing behavior of asphalt system based on molecular dynamics simulation

Popis výsledku v původním jazyce

The molecular model of asphalt binder was established by means of molecular dynamics (MD). The MD model was validated with respect of density, glass transition temperature, viscosity and solubility parameters. An interface system was created by inserting a vacuum pad of 50 Å between 2 groups of asphalt binders to study the self-healing behavior of the asphalt binder, e.g. internal volume, diffusion rate of each component and energy variation of the model. The molecular diffusion of aged asphalt binder, SBS modified asphalt binder, and virgin asphalt binder are studied. The results show that the ``compression” of asphalt binder volume and the ``stretching” of the asphalt binder molecules is responsible for the disappearance of vacuum micro-cracks inside the asphalt binder. When the model volume is ``compressed”, the volume of the asphalt model decreases until the micro-cracks in the asphalt binder disappear completely. The molecular volume of asphalt decreases greatly at the beginning of the MD simulation, and then becomes stable. The length of asphalt model increases in the OZ direction, while the length of the OX and OY directions decreases, indicating that asphalt ``stretces” during the selfhealing process.

Název v anglickém jazyce

Self-healing behavior of asphalt system based on molecular dynamics simulation

Popis výsledku anglicky

The molecular model of asphalt binder was established by means of molecular dynamics (MD). The MD model was validated with respect of density, glass transition temperature, viscosity and solubility parameters. An interface system was created by inserting a vacuum pad of 50 Å between 2 groups of asphalt binders to study the self-healing behavior of the asphalt binder, e.g. internal volume, diffusion rate of each component and energy variation of the model. The molecular diffusion of aged asphalt binder, SBS modified asphalt binder, and virgin asphalt binder are studied. The results show that the ``compression” of asphalt binder volume and the ``stretching” of the asphalt binder molecules is responsible for the disappearance of vacuum micro-cracks inside the asphalt binder. When the model volume is ``compressed”, the volume of the asphalt model decreases until the micro-cracks in the asphalt binder disappear completely. The molecular volume of asphalt decreases greatly at the beginning of the MD simulation, and then becomes stable. The length of asphalt model increases in the OZ direction, while the length of the OX and OY directions decreases, indicating that asphalt ``stretces” during the selfhealing process.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

20101 - Civil engineering

Projekt

<a href="/cs/project/8JCH1002" target="_blank" >8JCH1002: Sdružené rejuvenační účinky u zestárnutého asfaltového pojiva z asfaltového recyklátu s využitím aditiv z bio-odpadů</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2020

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Construction and Building Materials

ISSN

0950-0618

e-ISSN

1879-0526

Svazek periodika

254

Číslo periodika v rámci svazku

119225

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

10

Strana od-do

—

Kód UT WoS článku

000540695700078

EID výsledku v databázi Scopus

2-s2.0-85083681112