Adsorption Law of Interlayer Water of Calcium Silicate Hydrate and Its Effect on the Molecular Structure
TONG Taotao, LI Zongli, DU Xiangqin, LI Bo, LIU Hengjie
Key Laboratory of Agricultural Soil and Water Engineering in Arid and Semiarid Areas of Ministry of Education, Northwest A & F University, Yangling 712100, China
Abstract: Calcium silicate hydrate (C-S-H) is the main component of cement hydration products, and interlayer water has a significant impact on the physicochemical properties of C-S-H. Molecular dynamics method was employed to simulate the adsorption process of water molecules by C-S-H, and the adsorption isotherms of C-S-H on water molecules with multiple temperatures in the range of 280—320 K were obtained, and it could be found that the maximum adsorption amount of each temperature did not change much, but the adsorption capacity of C-S-H for water molecules decreased with increasing temperature. Furthermore, an adsorption equation at the temperature of 280—320 K was proposed. The structural characteristics of the C-S-H unit cell with different water coverage ratios between layers showed that the C-S-H structure stratification was more obvious as the interlayer water content increased. When the different coverage ratios of interlayer water were reached, the positions of the adsorbed water were different, resulting in a different volume increase rate of C-S-H. The volume of C-S-H increased due to the adsorption of water, and the density decreased, but the original atomic structure in C-S-H were more compact.
童涛涛, 李宗利, 杜向琴, 李波, 刘恒杰. 水化硅酸钙层间水吸附规律及其对分子结构的影响[J]. 材料导报, 2020, 34(16): 16049-16054.
TONG Taotao, LI Zongli, DU Xiangqin, LI Bo, LIU Hengjie. Adsorption Law of Interlayer Water of Calcium Silicate Hydrate and Its Effect on the Molecular Structure. Materials Reports, 2020, 34(16): 16049-16054.
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2020, Vol. 34 
