A platform for research: civil engineering, architecture and urbanism
A platform for research: civil engineering, architecture and urbanism
Wettability and work of adhesion of water nanodroplet on (001) surface of cement paste
Abstract The present work is devoted to a deep analysis of the hydrated surface properties of Calcium-Silicate-Hydrate (CSH) by means of molecular dynamics simulations and reactive force fields (REAXFF). The radial distribution function shows that the relative coordinates among atoms inside films structure is the same as the bulk one. Moreover, the (001) surface free energy of CSH is found in the range of 698 erg/cm2to 740 erg/cm2. The smallest and biggest averaged contact angle between equilibrated water nanodroplet and CSH surface is 23.62° and 29.29°, respectively, which reveals the hydrophilic behavior of the (001) surface. The work of adhesion between water-nanodroplet and CSH surface is 136.47 × 10−3 J/m2. The spreading area of nanodroplet onto CSH surface is a defect circle and the distance between most of relaxed water molecules and CSH surface is within 3.2 Å.
Wettability and work of adhesion of water nanodroplet on (001) surface of cement paste
Abstract The present work is devoted to a deep analysis of the hydrated surface properties of Calcium-Silicate-Hydrate (CSH) by means of molecular dynamics simulations and reactive force fields (REAXFF). The radial distribution function shows that the relative coordinates among atoms inside films structure is the same as the bulk one. Moreover, the (001) surface free energy of CSH is found in the range of 698 erg/cm2to 740 erg/cm2. The smallest and biggest averaged contact angle between equilibrated water nanodroplet and CSH surface is 23.62° and 29.29°, respectively, which reveals the hydrophilic behavior of the (001) surface. The work of adhesion between water-nanodroplet and CSH surface is 136.47 × 10−3 J/m2. The spreading area of nanodroplet onto CSH surface is a defect circle and the distance between most of relaxed water molecules and CSH surface is within 3.2 Å.
Wettability and work of adhesion of water nanodroplet on (001) surface of cement paste
Zhu, X. (author) / Zaoui, A. (author) / Sekkal, W. (author)
2022-06-28
Article (Journal)
Electronic Resource
English
| British Library Online Contents | 2016
| British Library Online Contents | 2016
| British Library Online Contents | 2016
Paste-aggregate adhesion in polymer-cement porous concrete
| British Library Conference Proceedings | 1999