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通过实验对不同温度条件下半胱氨酸抑制盐酸对碳钢腐蚀的性能进行评价,并采用分子动力学模拟(Molecular Dynamics Simulation,简称MD)方法,从缓蚀剂膜抑制腐蚀粒子扩散的角度对其缓蚀机理进行深入研究.静态失重实验显示:随温度的升高(25～65℃),半胱氨酸缓蚀剂的缓蚀效率呈逐渐下降趋势,其数值从88.36%降至61.64%.MD模拟发现:随温度升高,半胱氨酸缓蚀剂膜的自由体积逐渐增大,且腐蚀粒子与缓蚀剂膜的相互作用也逐渐减弱,更有利于腐蚀粒子在膜中的主动扩散;同时膜内半胱氨酸分子的自扩散能力也随温度升高而增强,腐蚀粒子在缓蚀剂膜携带下被动迁移的过程也随之加剧.主动扩散和被动迁移两方面的变化表明,腐蚀粒子在缓蚀剂膜中扩散能力随温度升高而增大;也就是说,随温度升高,半胱氨酸缓蚀剂膜对腐蚀粒子的扩散抑制能力逐渐降低,腐蚀粒子更易扩散运移至金属表面,导致半胱氨酸缓蚀剂缓蚀效率的降低.
The effects of cysteine inhibition of hydrochloric acid on the corrosion of carbon steel were evaluated experimentally under different temperature conditions. Molecular dynamics simulation (MD) method was used to investigate the effect of corrosion inhibitor on corrosion inhibition of carbon steel. Its inhibition mechanism is studied in depth.Static weightlessness experiments show that with the increase of temperature (25 ~ 65 ℃), the inhibition efficiency of cysteine corrosion inhibitor shows a decreasing trend from 88.36% to 61.64% .MD simulation found that: as the temperature rises, the free volume of the cysteine corrosion inhibitor membrane gradually increases, and the interaction between the corrosion particles and the corrosion inhibitor membrane also gradually weakened, more conducive to the corrosion of particles in the membrane Diffusion and the self-diffusion ability of cysteine molecules in the membrane also increased with the increase of temperature, the process of passive migration of corrosive particles carried by the corrosion inhibitor membrane also aggravated.The changes of active diffusion and passive migration showed , The diffusion capacity of the corrosive particles in the corrosion inhibitor film increases with temperature; that is, as the temperature increases, the ability of the cysteine corrosion inhibitor film to inhibit the diffusion of the corrosive particles decreases gradually, and the corrosion particles diffuse more easily Move to Metal surfaces, leading to cysteine corrosion inhibitors to reduce corrosion inhibition efficiency.