本文關(guān)鍵詞： 咪唑類 緩蝕劑 失重法 極化曲線法 量子化學(xué)計(jì)算　出處：《南京理工大學(xué)》2017年碩士論文　論文類型：學(xué)位論文

【摘要】：金屬腐蝕給我們的社會(huì)經(jīng)濟(jì)帶了巨大的損失。在使用緩蝕劑來對(duì)金屬進(jìn)行防腐蝕處理的過程中無需使用到各種大型設(shè)備,也不會(huì)對(duì)金屬材料的性質(zhì)產(chǎn)生影響,同時(shí)相較于其他防腐蝕手段使用緩蝕劑的成本也更低。目前使用的緩蝕劑以有機(jī)緩蝕劑為主,這些有機(jī)化合物中含有未經(jīng)配對(duì)的雜原子(N、O、S、P)以及大π鍵,這樣有利于緩蝕劑分子與碳鋼表面的空的d軌道進(jìn)行相互作用,進(jìn)而形成保護(hù)膜層以達(dá)到防腐蝕的目的。當(dāng)前,因藥物分子中含有大量雜原子而受到研究人員的廣泛關(guān)注,同時(shí)利用廢棄藥物原料作為緩蝕劑有利于環(huán)境保護(hù)以及最大化利用資源。本文中我們選用了四種咪唑類藥物作為研究對(duì)象,它們分別是氟苯咪唑、甲苯咪唑、噻苯咪唑以及阿苯咪唑,選用1MHNO_3為腐蝕介質(zhì),低碳鋼為腐蝕金屬,通過失重法實(shí)驗(yàn)、極化曲線法以及量子化學(xué)計(jì)算法的途徑來研究這四種藥物作為緩蝕劑時(shí)的緩蝕效率,吸附機(jī)理以及相應(yīng)的緩蝕機(jī)理。失重法實(shí)驗(yàn)結(jié)果表明,在1MHNO_3腐蝕介質(zhì)中,這四種藥物分子均對(duì)低碳鋼有很好的緩蝕性能,緩蝕效率隨著溫度升高而降低,隨著緩蝕劑濃度的增加而上升。在腐蝕介質(zhì)溫度為25℃和緩蝕劑濃度為5 mM時(shí),它們的緩蝕效率均可達(dá)到最大值,最大值分別為96.1%,92%,90.2%,87.5%,其中氟苯咪唑的緩蝕效率最佳。同時(shí),四種緩蝕劑分子的吸附均服從langmuir吸附等溫式,且它們的吸附以物理吸附為主。極化曲線結(jié)果表明這四種緩蝕劑屬于混合型緩蝕劑,且分析電化學(xué)參數(shù)可知氟苯咪唑的緩蝕性能最佳。分析量子化學(xué)參數(shù)和Fukui指數(shù)可知氟苯咪唑的緩蝕性能最佳,同時(shí)氟苯咪唑有最多的活性位點(diǎn)。
[Abstract]:Metal corrosion takes a huge toll on our society and economy. The use of corrosion inhibitors for anticorrosive treatment of metals does not require the use of large equipment, nor does it affect the properties of metal materials. At the same time, the cost of using the inhibitor is also lower than that of other anticorrosion methods. The inhibitors currently in use are mainly organic corrosion inhibitors, which contain unpaired heteroatoms (NOOOOSN) and large 蟺 bonds. This is conducive to the interaction of inhibitor molecules with the empty d-orbitals on carbon steel surfaces, thus forming a protective film layer for corrosion prevention. At present, researchers are widely concerned about the presence of a large number of heteronuclear atoms in drug molecules. At the same time, the use of waste drug as corrosion inhibitor is beneficial to environmental protection and maximize the use of resources. In this paper, we selected four kinds of imidazole as the research object, they are flumimidazole and mebendazole, respectively. Thiabenimidazole and albendazole, 1 MHNO3 as corrosion medium and low carbon steel as corrosion metal, were used to study the corrosion inhibition efficiency of these four drugs as corrosion inhibitor by weightlessness test, polarization curve method and quantum chemical calculation method. The adsorption mechanism and the corresponding corrosion inhibition mechanism. The results of weightlessness test show that in 1MHNO3 corrosion medium, the four kinds of drug molecules have good corrosion inhibition performance on low carbon steel, and the corrosion inhibition efficiency decreases with the increase of temperature. With the increase of the concentration of corrosion inhibitor, the corrosion inhibition efficiency can reach the maximum at 25 鈩，

本文編號(hào)：1523501