【摘要】：新型預(yù)處理層涂裝體系是目前應(yīng)用最為廣泛的金屬腐蝕防護(hù)手段,其中結(jié)合力和防護(hù)效果是我們最為關(guān)注的問題。在實(shí)驗(yàn)研究中可以很容易的宏觀評(píng)價(jià)涂層與基體結(jié)合力的大小和體系防護(hù)性能的優(yōu)劣,但對(duì)于探討發(fā)生在涂層／基體界面上的涂層失效的機(jī)制問題往往難以實(shí)現(xiàn)。分子動(dòng)力學(xué)模擬是一種原子尺度的計(jì)算機(jī)模擬手段,在復(fù)合材料和表界面研究中應(yīng)用頗多。本論文將實(shí)驗(yàn)與分子動(dòng)力學(xué)模擬相結(jié)合,分別在宏觀和原子層面上評(píng)價(jià)了兩種硅烷預(yù)處理層對(duì)環(huán)氧涂層體系的結(jié)合力和耐腐蝕性能的影響；還利用分子動(dòng)力學(xué)模擬技術(shù)研究了其他幾種預(yù)處理層與不同聚合物涂層間的相互作用。本論文的具體研究內(nèi)容包括：(1)研究了兩種硅烷膜為預(yù)處理層的涂層體系的界面結(jié)合力和防護(hù)性能。采用了拉伸試驗(yàn)和EIS, SVET等腐蝕性能測(cè)試,發(fā)現(xiàn)具有有機(jī)官能團(tuán)的GPTMS硅烷能明顯增強(qiáng)涂層與基體間的結(jié)合力,BTSE卻有著相反的作用；兩種硅烷預(yù)處理層都能顯著改善涂層體系的耐腐蝕性能,GPTMS在短期防護(hù)方面比較有優(yōu)勢(shì),而BTSE有利于長期防護(hù)。分子動(dòng)力學(xué)模擬結(jié)果顯示,GPTMS硅烷膜體系在干態(tài)和濕態(tài)時(shí)都具有最大的界面相互作用能,而且從界面處的各組分濃度分布來看,GPTMS與環(huán)氧具有更寬的交融界面,說明與涂層的相容性更好,有利于增大結(jié)合力：當(dāng)體系遭受水分子的入侵后,兩者都能影響環(huán)氧涂層的吸水過程和聚合物鏈的流動(dòng)性,但GPTMS膜層自身會(huì)略微膨脹,變得不致密,BTSE膜層會(huì)略微收縮變得更為致密,以抵擋水分子對(duì)體系防護(hù)性能的破壞,說明BTSE膜層更有利于保護(hù)金屬。(2)采用分子動(dòng)力學(xué)模擬計(jì)算了其他幾種無機(jī)氧化物預(yù)處理膜層與后續(xù)涂層間的相互作用。結(jié)果表明未經(jīng)預(yù)處理的金屬基體與涂層之間的相互作用都比較薄弱,而預(yù)處理層能顯著增強(qiáng)涂層體系的結(jié)合力,而且與后續(xù)涂層基本上不存在選擇性問題。通過分析聚合物鏈在界面處的形態(tài)和濃度分布,發(fā)現(xiàn)相互作用的強(qiáng)弱主要受兩個(gè)因素的共同影響：一是聚合物涂層與表面的接觸情況；二是界面處聚合物中官能團(tuán)分布的密集程度。
[Abstract]:The new pretreatment coating system is the most widely used method of metal corrosion protection at present, among which the bonding force and the protective effect are the most concerned problems. In the experimental study, it is easy to evaluate the strength of adhesion between coating and substrate and the protection performance of the system, but it is difficult to discuss the mechanism of coating failure on the interface between coating and substrate. Molecular dynamics simulation is a kind of computer simulation method on atomic scale, which is widely used in the study of composite materials and surface interfaces. In this paper, the effects of two kinds of silane pretreatment layers on the adhesion and corrosion resistance of epoxy coating system were evaluated at the macro and atomic levels by combining the experiments with molecular dynamics simulation. Molecular dynamics simulation was also used to study the interaction between other pretreatment layers and different polymer coatings. The main contents of this thesis are as follows: (1) the interfacial adhesion and protective properties of two kinds of silane coatings were studied. The tensile test and EIS, SVET corrosion test showed that GPTMS silane with organic functional group could obviously enhance the adhesion between the coating and the substrate, but BTSE had the opposite effect. Both kinds of silane pretreatment layer can significantly improve the corrosion resistance of the coating system. GPTMS has advantages in short term protection, while BTSE is favorable for long term protection. The results of molecular dynamics simulation show that the GPTMS silane membrane system has the largest interfacial interaction energy in dry and wet state, and from the concentration distribution of each component at the interface, GPTMS and epoxy have a wider interface. It shows that the compatibility with the coating is better, which is beneficial to increase the adhesion: when the system is invaded by water molecules, both of them can affect the water absorption process of the epoxy coating and the fluidity of the polymer chain, but the GPTMS film itself will expand slightly and become not compact. The BTSE film shrinks slightly more tightly to withstand the destruction of the protective properties of the system by water molecules. The results show that the BTSE film is more favorable for metal protection. (2) the interaction between the other inorganic oxide pretreated coatings and the subsequent coatings is calculated by molecular dynamics simulation. The results show that the interaction between the unpretreated metal substrate and the coating is relatively weak, while the pretreated layer can significantly enhance the adhesion of the coating system, and there is basically no problem of selectivity between the pre-treated metal substrate and the subsequent coating. By analyzing the morphology and concentration distribution of the polymer chain at the interface, it is found that the interaction is mainly affected by two factors: first, the contact between the polymer coating and the surface; The second is the density of the functional groups in the polymer at the interface.
【學(xué)位授予單位】：浙江大學(xué)
【學(xué)位級(jí)別】：碩士
【學(xué)位授予年份】：2017
【分類號(hào)】：TG174.4

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