Effect of Ca2+, Mg2+, Ba2+ and Sr2+ cations on calcium carbonate scaling formation in oil-gas well: Based on density functional theory study and molecular dynamics simulation
Jianyi Liu, Fei Zhou, Qianqian Dai, Hengjiao Gao
Topics & Concepts
ChemistryAdsorptionCASTEPDensity functional theoryCalcium carbonateCarbonateInorganic chemistryMagnesiumAtom (system on chip)Molecular dynamicsCrystallographyPhysical chemistryComputational chemistryOrganic chemistryEmbedded systemComputer scienceCalcium Carbonate Crystallization and InhibitionCrystallization and Solubility StudiesHydrocarbon exploration and reservoir analysis