A pyrimidine derivative as a high efficiency inhibitor for the corrosion of carbon steel in oilfield produced water under supercritical CO_2 conditions

摘要

A pyrimidine derivative, 4,6-diamino-2-(benzylthio)pyrimidine (DABTP), was developed as an inhibitor for the corrosion of N80 carbon steel in supercritical CO2 containing oilfield produced water under static and dynamic conditions. Its inhibition effect and mechanism were investigated by electrochemical tests, quantum chemical calculations, and molecular dynamics simulations. DABTP exhibits high inhibition efficiency, with a decrease under dynamic conditions. A network structure of the adsorbed DABTP molecules may be formed by hydrogen bonds, which enhances the adsorption stability of DABTP. The adsorbed DABTP molecules may desorb from the steel surface due to the dragging action of flowing H2O molecules through hydrogen bonding.