Journal
CHEMICAL PHYSICS LETTERS
Volume 687, Issue -, Pages 184-187Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.cplett.2017.09.020
Keywords
Calcium silicate hydrates; Polyethylene glycol; Molecular dynamics; Adsorption
Funding
- China Ministry of Science and Technology [2015CB655100]
- National Natural Science Foundation of China [51578143, 51711530039]
- China Scholarship Council
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Calcium silicate hydrates (C-S-H) may potentially exhibit extraordinary performance when modified by polymers, in which way the properties of cement-based materials can be improved from the genetic level. In this molecular dynamics simulation of the interaction between C-S-H and polyethylene glycol, apart from the H bond network connection in the interface, another chemical adsorption was observed. Calcium of C-S-H broke the C-O bond of PEG and formed a new Ca-C connection, which created a stronger link between the organic and inorganic phases. (C) 2017 Elsevier B.V. All rights reserved.
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