A Theoretical Study on the Corrosion and Scale Inhibition Performance of Polyepoxysuccinic Acid Derivatives

doi:10.11885/j.issn.1674-5086.2022.09.22.02

Abstract

Abstract: In the process of oil and gas field development, tubing corrosion and scaling frequently occur, which will cause huge economic losses and serious safety problems. Adding corrosion and scale inhibitor is an effective anti-corrosion and scale prevention method, which is widely used in petroleum and petrochemical fields. In recent years, with the enhancement of public awareness of environmental protection, environmentally friendly polyepoxysuccinic acid (PESA) has been widely studied. Using quantum chemistry and molecular dynamics simulation methods to study corrosion and scale inhibition performances of PESA and polyepoxysuccinic acid derivatives (MEA-PESA). The influences of quantum chemical parameters (frontier molecular orbital energy, energy gap, bulk hardness, and Fukui index) for the corrosion inhibition efficiency are discussed. The adsorption behaviors of eight kinds of corrosion and scale inhibitors on the metal and calcium carbonate surface are investigated by molecular dynamics simulation. The results of adsorption energy show that the efficiency of corrosion and scale inhibition of PESA and MEA-PESA is enhanced with the increase of degree of polymerization.

Key words: polyepoxysuccinic acid, environment friendly, corrosion and scale inhibitor, quantum chemical calculation, dynamic simulation

CLC Number:

CHEN Xin, ZHANG Yizhen, CHEN Qin, LUO Liang. A Theoretical Study on the Corrosion and Scale Inhibition Performance of Polyepoxysuccinic Acid Derivatives[J]. Journal of Southwest Petroleum University(Science & Technology Edition), 2023, 45(3): 171-180.

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