Molecular Simulation on Cement-Based Materials

From Theory to Application

Dongshuai Hou (Autor)

Buch | Hardcover

197 Seiten

2019 | 1st ed. 2020
Springer Verlag, Singapore
978-981-13-8710-4 (ISBN)

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This book presents a number of studies on the molecular dynamics of cement-based materials. It introduces a practical molecular model of cement-hydrate, delineates the relationship between molecular structure and nanoscale properties, reveals the transport mechanism of cement-hydrate, and provides useful methods for material design. Based on the molecular model presented here, the book subsequently sheds light on nanotechnology applications in the design of construction and building materials. As such, it offers a valuable asset for researchers, scientists, and engineers in the field of construction and building materials.

Dongshuai Hou is a Professor at the Department of Civil Engineering, Qingdao University of Technology. He received his Doctor degree from Hong Kong University of Science and Technology in 2014. His research interests include the molecular structure and behavior of cement-hydrate; ab initio, molecular dynamics, and other computational chemistry methods; and multi-scale studies on concrete materials. To date, he has published more than 80 academic papers in the field of concrete material and computational chemistry.

Background and objectives.- Introduction to modeling of cement hydrate at nano-scale.- Introduction to simulation techniques on the cement-based materials.- Modeling the calcium silicate Hydrate by molecular simulation.- Molecular simulation of water and ions migration in the nanometer channel of calcium silicate phase.- Models for the cross-linked calcium aluminate silicate hydrate (C-A-S-H) gel.- Molecular dynamics study on cement-graphene nanocomposite.- The future and development trends of computational chemistry applied in concrete science .

Erscheinungsdatum	11.10.2019
Zusatzinfo	105 Illustrations, color; 16 Illustrations, black and white; XII, 197 p. 121 illus., 105 illus. in color.
Verlagsort	Singapore
Sprache	englisch
Maße	155 x 235 mm
Themenwelt	Naturwissenschaften ► Chemie ► Physikalische Chemie
	Technik ► Bauwesen
	Technik ► Maschinenbau
Schlagworte	Calcium Silicate Hydrate • Cement and Graphene Composite • Durability of Cement-Based Material • mechanical properties • molecular dynamics • Supplementary Cementitious Material • transport properties
ISBN-10	981-13-8710-9 / 9811387109
ISBN-13	978-981-13-8710-4 / 9789811387104
Zustand	Neuware