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分子动力学模拟在石油管材腐蚀与防护中的应用

Application of Molecular Dynamics Simulation to Metal Corrosion and Protection in Oil and Gas Fields
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摘要 当前油田开采面临着高温高压、高Cl^(-)、高含硫等日渐复杂的工况环境,石油管材的耐蚀性能以及防护技术的适用性面临较大挑战,分子动力学模拟技术因其不受实验条件的限制且具有广尺度特点可弥补传统评价方法的不足。本文首先简述了分子动力学模拟技术的基本原理;并基于分子动力学模拟应用,阐述了管材在Cl^(-)、CO_(2)/H_(2)S等体系中的分子动力学腐蚀机理研究,概述了分子动力学在研究防腐涂层中的研究应用。最后,对分子动力学模拟技术今后在耐蚀材料研发中发展方向进行了展望,以期为油气田用新材料的研制、防护技术的应用提供理论基础与技术支持。 Currently,oil field exploitation is facing increasingly complex working conditions such as high temperature and pressure,high Cl^(-),and high sulfur content.The corrosion resistance of petroleum pipes and the applicability of protective technologies face significant challenges.Molecular dynamics simulation technology,due to its unrestricted experimental conditions and wide-scale characteristics,can make up for the shortcomings of traditional evaluation methods.This article first outlines the basic principles of molecular dynamics simulation technology;Based on the application of molecular dynamics simulation,the molecular dynamics corrosion mechanism of pipes in Cl^(-),CO_(2)/H_(2)S and other systems was studied.Summarized the research application of molecular dynamics in the study of anti-corrosion coatings.Finally,the development directions faced by molecular dynamics simulation technology in the future research and development of corrosion-resistant materials were prospected,in order to provide theoretical basis and technical support for the development of new materials for oil and gas fields and the application of protective technologies.
作者 余凤玲 周普 胡凌霄 朱世东 YU Feng-ling;ZHOU Pu;HU Ling-xiao;ZHU Shi-dong(School of Materials Science and Engineering,Xi’an Shiyou University,Xi’an 710065,China;Shaanxi Key Laboratory of Carbon Dioxide Sequestration and Enhanced Oil Recovery,Institute of Shaanxi Yanchang Petroleum(Group)Co.,Ltd.Xi’an 710077,China;School of Construction Machinery,Chang'an University,Xi’an 710061,China)
出处 《全面腐蚀控制》 2024年第4期146-150,共5页 Total Corrosion Control
基金 国家自然科学基金(51974245) 陕西省重点研发项目(2022GY-128,2022SF-045) 西安石油大学研究生创新与实践能力培养计划(YCS22112067)。
关键词 分子动力学 油田 高含硫 腐蚀机理 防护技术 molecular dynamics oil and gas fields high sulfur content corrosion mechanism protection measurements
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