Details
| Original language | English |
|---|---|
| Article number | 1497 |
| Journal | Molecules |
| Volume | 24 |
| Issue number | 8 |
| Publication status | Published - 2 Apr 2019 |
Abstract
Polyethylene is widely adopted in engineered cementitious composites to control the crack width. A clearer knowledge of the PE/concrete interfacial properties is important in developing engineered cementitious composites, which can lead to a limited crack width. Tensile failure and adhesion properties of the amorphous polyethylene/silica (PE/S) interface are investigated by molecular dynamics to interpret the PE/concrete interface. The influence of the PE chain length, the PE chain number and coupling agents applied on silica surface on the interfacial adhesion is studied. An increase of the adhesion strength of the modified silica surface by coupling agents compared with the unmodified silica is found. The failure process, density profile and potential energy evolutions of the PE/S interface are studied. The thermodynamic work of adhesion that quantifies the interfacial adhesion of the PE/S interface is evaluated. The present study helps to understand the interfacial adhesion behavior between ECC and PE, and is expected to contribute to restricting the crack width.
Keywords
- Autogenous healing, ECC, Interface, Self-healing concrete
ASJC Scopus subject areas
- Chemistry(all)
- Analytical Chemistry
- Chemistry(all)
- Chemistry (miscellaneous)
- Biochemistry, Genetics and Molecular Biology(all)
- Molecular Medicine
- Pharmacology, Toxicology and Pharmaceutics(all)
- Pharmaceutical Science
- Pharmacology, Toxicology and Pharmaceutics(all)
- Drug Discovery
- Chemistry(all)
- Physical and Theoretical Chemistry
- Chemistry(all)
- Organic Chemistry
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In: Molecules, Vol. 24, No. 8, 1497, 02.04.2019.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - Interface Characterization Between Polyethylene/Silica in Engineered Cementitious Composites by Molecular Dynamics Simulation
AU - Zhou, Shuai
AU - Vu-Bac, Nam
AU - Arash, Behrouz
AU - Zhu, Hehua
AU - Zhuang, Xiaoying
N1 - Funding Information: This research was funded by Sofa-Kovalevskaja-Award of Alexander von Humboldt-Foundation, and the Fundamental Research Funds for the Central Universities, Project No. 2019CDXYCL0031. The authors acknowledge the support of the cluster system team at the Leibniz University of Hannover, Germany in the production of this work.
PY - 2019/4/2
Y1 - 2019/4/2
N2 - Polyethylene is widely adopted in engineered cementitious composites to control the crack width. A clearer knowledge of the PE/concrete interfacial properties is important in developing engineered cementitious composites, which can lead to a limited crack width. Tensile failure and adhesion properties of the amorphous polyethylene/silica (PE/S) interface are investigated by molecular dynamics to interpret the PE/concrete interface. The influence of the PE chain length, the PE chain number and coupling agents applied on silica surface on the interfacial adhesion is studied. An increase of the adhesion strength of the modified silica surface by coupling agents compared with the unmodified silica is found. The failure process, density profile and potential energy evolutions of the PE/S interface are studied. The thermodynamic work of adhesion that quantifies the interfacial adhesion of the PE/S interface is evaluated. The present study helps to understand the interfacial adhesion behavior between ECC and PE, and is expected to contribute to restricting the crack width.
AB - Polyethylene is widely adopted in engineered cementitious composites to control the crack width. A clearer knowledge of the PE/concrete interfacial properties is important in developing engineered cementitious composites, which can lead to a limited crack width. Tensile failure and adhesion properties of the amorphous polyethylene/silica (PE/S) interface are investigated by molecular dynamics to interpret the PE/concrete interface. The influence of the PE chain length, the PE chain number and coupling agents applied on silica surface on the interfacial adhesion is studied. An increase of the adhesion strength of the modified silica surface by coupling agents compared with the unmodified silica is found. The failure process, density profile and potential energy evolutions of the PE/S interface are studied. The thermodynamic work of adhesion that quantifies the interfacial adhesion of the PE/S interface is evaluated. The present study helps to understand the interfacial adhesion behavior between ECC and PE, and is expected to contribute to restricting the crack width.
KW - Autogenous healing
KW - ECC
KW - Interface
KW - Self-healing concrete
UR - http://www.scopus.com/inward/record.url?scp=85064879537&partnerID=8YFLogxK
U2 - 10.3390/molecules24081497
DO - 10.3390/molecules24081497
M3 - Article
C2 - 30995822
AN - SCOPUS:85064879537
VL - 24
JO - Molecules
JF - Molecules
SN - 1420-3049
IS - 8
M1 - 1497
ER -