Adsorption mechanism of octadecylamine on inner surface of steam generator feed water pipe of pressurized water reactor nuclear power plant

Abstract In this paper, the Max Flow software is used to simulate the adsorption process of octadecylamine on carbon steel surface. The adsorption model of octadecylamine on metal interface is established and the adsorption structure is calculated layer by layer. Then, the stable adsorption configuration and the adsorption free energy is calculated. The main conclusions are as follows: 1) Physical adsorption of octadecylamine executes on the surface of carbon steel instead of chemical adsorption, and the adsorption layers increases with octadecylamine concentration. 2) Primary adsorption energy of octadecylamine molecule on the carbon steel surface is mainly provided by van der Waals force. 3) Adsorption layer stacking and operation temperature elevation weaken the spontaneous adsorption trend of octadecylamine molecules.