TPU/Leu可剥离膜的防腐性能及分子动力学模拟
|
摘要
以自制热塑性聚氨酯(TPU)、亮氨酸(Leu)为原料,制备了增容改性前、后的TPU/Leu防腐蚀可剥离膜TPU/Leu-1(未改性)、TPU/Leu-2(KH-560改性)、TPU/Leu-3(环氧树脂E44改性)。通过Tafel极化曲线、电化学阻抗谱(EIS)和耐盐水加速实验评价了可剥离膜的防腐蚀性能;利用分子动力学(MD)模拟方法,对腐蚀粒子的扩散行为和3种TPU/Leu可剥离膜的防腐效果进行了考察。结果表明,加入增容剂KH-560、E44后,溶度参数(δ)和内聚能密度(CED)增大。径向分布函数(RDF)结果表明,可剥离膜组分与增容剂之间的作用力主要包括氢键作用和静电吸附,KH-560及E44对TPU/Leu可剥离膜具有显著的增容效果。TPU/Leu-1的腐蚀电位为–0.430 V,而TPU/Leu-2和TPU/Leu-3分别升至–0.320和–0.348 V。MD模拟扩散结果表明,添加增容剂后,自扩散性能及扩散系数(D)均下降,且自由体积分数(FFV)大小顺序为:FFV_(H_2O(TPU/Leu-2)) A series of thermoplastic polyurethane(TPU)/leucine(Leu) anticorrosion strippable films,TPU/Leu-1(Unmodified), TPU/Leu-2(KH-560 modification), TPU/Leu-3(E44 modification) before and after compatibilization modification were prepared. The anticorrosion resistance performances of films were investigated by salt water test, tafel polarization curve and electrochemical impedance spectroscopy(EIS). The diffusion behavior of corrosive particles and the anticorrosion action of three kinds of TPU/Leu anticorrosive strippable films were studied by molecular dynamics simulation method. The results showed that the solubility parameter(δ) and the cohesive energy density(CED) of system increased after adding compatibilizer KH-560 and E44. The radial distribution function(RDF) results showed that the interaction force between components of strippable films and compatibilizers was hydrogen bonding and electrostatic adsorption. KH-560 and E44 can play an important role in improving compatibility of TPU/Leu strippable films. The corrosion potential of TPU/Leu-1 was –0.430 V, while that of TPU/Leu-2 and TPU/Leu-3 increased to –0.320 V and –0.348 V, respectively. The diffusion of MD simulation results showed that the addition of compatibilizers made the self diffusion performance and diffusion coefficient(D) of films decline. Meanwhile, the order of free volume fraction(FFV) was: FFV_(H_2O(TPU/Leu-2))
引文
[1]Rahman O U,Kashif M,Ahmad S.Nanoferrite dispersed waterborne epoxy-acrylate:Anticorrosive nanocomposite coatings[J].Progress in Organic Coatings,2015,80:77-86.
[2]Deshpande P P,Jadhav N G,Gelling V J,et al.Conducting polymers for corrosion protection:A review[J].Journal of Coatings Technology&Research,2014,11(4):473-494.
[3]Santos L H E,Branco J S C,Guimar?es I S,et al.Synthesis in phytic acid medium and application as anticorrosive coatings of polyanilinebased materials[J].Surface&Coatings Technology,2015,275:26-31.
[4]Hu Chuanbo(胡传波),Li Ying(厉英),Kong Yazhou(孔亚洲),et al.Anticorrosion properties of modified polyanilines and its derivatives coatings[J].Progress in Chemistry(化学进展),2016,28(8):1238-1250.
[5]Huang M,Yang J.Salt spray and EIS studies on HDImicrocapsule-based self-healing anticorrosive coatings[J].Progress in Organic Coatings,2014,77(1):168-175.
[6]Koh E,Park S.Self-anticorrosion performance efficiency of renewable dimer-acid-based polyol microcapsules containing corrosion inhibitors with two triazole groups[J].Progress in Organic Coatings,2017,109:61-69.
[7]Gite V V,Tatiya P D,Marathe R J,et al.Microencapsulation of quinoline as a corrosion inhibitor in polyurea microcapsules for application in anticorrosive PU coatings[J].Progress in Organic Coatings,2015,83:11-18.
[8]Ling C,Liang X,Fan F,et al.Diffusion behavior of the model diesel components in different polymer membranes by molecular dynamic simulation[J].Chemical Engineering Science,2012,84(52):292-302.
[9]Liu Jin(刘进),Liu Zheng(刘峥),Liu Jie(刘洁),et al.Molecular dynamics simulation of the corrosion inhibition behavior of aromatic amine on iron[J].Computers and Applied Chemistry(计算机与应用化学),2013,30(7):797-800.
[10]Saha S,Bhowmick A K.Computer simulation of thermoplastic elastomers from rubber-plastic blends and comparison with experiments[J].Polymer,2016,103:233-242.
[11]Lan Y,Li D,Yang R,et al.Computer simulation study on the compatibility of cyclotriphosphazene containing aminopropylsilicone functional group in flame retarded polypropylene/ammonium polyphosphate composites[J].Composites Science and Technology,2013,88:9-15.
[12]Kgagodi O W,Mbaiwa F.Molecular dynamics study of 2,2?-difurylmethane and n-propanol binary mixture[J].Journal of Molecular Liquids,2016,227:366-372.
[13]Fu Y,Liao L,Lan Y,et al.Molecular dynamics and mesoscopic dynamics simulations for prediction of miscibility in polypropylene/polyamide-11 blends[J].Journal of Molecular Structure,2012,1012(10):113-118.
[14]Arenaza I M D,Meaurio E,Coto B,et al.Molecular dynamics modelling for the analysis and prediction of miscibility in polylactide/polyvinilphenol blends[J].Polymer,2010,51(19):4431-4438.
[15]Liu Jie(刘洁),Liu Zheng(刘峥),Liu Jin(刘进),et al.Inhibition performance of a new 3,5-dibromosalicylaldehyde-2-thenoyl hydrazine schiff base for carbon steel in oilfieldwater and relevant molecular dynamics simulation[J].Journal of Chinese Society for Corrosion and Protection(中国腐蚀与防护学报),2014,34(2):101-111.
[16]Yuan Feng(袁凤),Jiao Weicheng(矫维成),Hong Yi(洪毅),et al.Synthesis and performance research of polyester polyurethane elastomers[J].Material Sciences(材料科学),2016,6(2):103-109.
[17]Quan Le(全乐),Tang Yumin(唐聿明),Zhu Yanfang(朱艳芳),et al.Study on protective property of epoxy/fluorocarbon composite coating for carbon steel in salt water[J].Paint&Coatings Industry(涂料工业),2016,46(4):18-22.
[18]Pan S,Wang N,Xiong D,et al.Fabrication of superhydrophobic coating via spraying method and its applications in anti-icing and anti-corrosion[J].Applied Surface Science,2016,389:547-553.
[19]Shafaamri A,Kasi R,Balakrishnan V,et al.Amelioration of anticorrosion and hydrophobic properties ofepoxy/PDMS composite coatings containing nano ZnO particles[J].Progress in Organic Coatings,2016,92:54-65.
[20]Qiao Guimin(乔贵民),Ren Zhenjia(任振甲),Zhang Jun(张军).Molecular dynamics simulation of corrosive medium diffusion in corrosion inhibitor membrane[J].Acta Physico-Chimica Sinica(物理化学学报),2010,26(11):3041-3046.
[21]Liu Linfa(刘林法),Liu Jinxiang(刘金祥),Zhang Jun(张军),et al.Molecular dynamics simulation of the corrosive medium diffusion behavior inhibited by the corrosion inhibitor membranes[J].Chemical Journal of Chinese Universities(高等学校化学学报),2010,31(3):537-541.
[22]You Long(尤龙),Liu Jinxiang(刘金祥),Zhang Jun(张军),et al.MD Study of imidazoline corrosion inhibition membranes restrain corrosive medium diffusion behaviors[J].Acta Chimica Sinica(化学学报),2010,68(8):747-752.
[2]Deshpande P P,Jadhav N G,Gelling V J,et al.Conducting polymers for corrosion protection:A review[J].Journal of Coatings Technology&Research,2014,11(4):473-494.
[3]Santos L H E,Branco J S C,Guimar?es I S,et al.Synthesis in phytic acid medium and application as anticorrosive coatings of polyanilinebased materials[J].Surface&Coatings Technology,2015,275:26-31.
[4]Hu Chuanbo(胡传波),Li Ying(厉英),Kong Yazhou(孔亚洲),et al.Anticorrosion properties of modified polyanilines and its derivatives coatings[J].Progress in Chemistry(化学进展),2016,28(8):1238-1250.
[5]Huang M,Yang J.Salt spray and EIS studies on HDImicrocapsule-based self-healing anticorrosive coatings[J].Progress in Organic Coatings,2014,77(1):168-175.
[6]Koh E,Park S.Self-anticorrosion performance efficiency of renewable dimer-acid-based polyol microcapsules containing corrosion inhibitors with two triazole groups[J].Progress in Organic Coatings,2017,109:61-69.
[7]Gite V V,Tatiya P D,Marathe R J,et al.Microencapsulation of quinoline as a corrosion inhibitor in polyurea microcapsules for application in anticorrosive PU coatings[J].Progress in Organic Coatings,2015,83:11-18.
[8]Ling C,Liang X,Fan F,et al.Diffusion behavior of the model diesel components in different polymer membranes by molecular dynamic simulation[J].Chemical Engineering Science,2012,84(52):292-302.
[9]Liu Jin(刘进),Liu Zheng(刘峥),Liu Jie(刘洁),et al.Molecular dynamics simulation of the corrosion inhibition behavior of aromatic amine on iron[J].Computers and Applied Chemistry(计算机与应用化学),2013,30(7):797-800.
[10]Saha S,Bhowmick A K.Computer simulation of thermoplastic elastomers from rubber-plastic blends and comparison with experiments[J].Polymer,2016,103:233-242.
[11]Lan Y,Li D,Yang R,et al.Computer simulation study on the compatibility of cyclotriphosphazene containing aminopropylsilicone functional group in flame retarded polypropylene/ammonium polyphosphate composites[J].Composites Science and Technology,2013,88:9-15.
[12]Kgagodi O W,Mbaiwa F.Molecular dynamics study of 2,2?-difurylmethane and n-propanol binary mixture[J].Journal of Molecular Liquids,2016,227:366-372.
[13]Fu Y,Liao L,Lan Y,et al.Molecular dynamics and mesoscopic dynamics simulations for prediction of miscibility in polypropylene/polyamide-11 blends[J].Journal of Molecular Structure,2012,1012(10):113-118.
[14]Arenaza I M D,Meaurio E,Coto B,et al.Molecular dynamics modelling for the analysis and prediction of miscibility in polylactide/polyvinilphenol blends[J].Polymer,2010,51(19):4431-4438.
[15]Liu Jie(刘洁),Liu Zheng(刘峥),Liu Jin(刘进),et al.Inhibition performance of a new 3,5-dibromosalicylaldehyde-2-thenoyl hydrazine schiff base for carbon steel in oilfieldwater and relevant molecular dynamics simulation[J].Journal of Chinese Society for Corrosion and Protection(中国腐蚀与防护学报),2014,34(2):101-111.
[16]Yuan Feng(袁凤),Jiao Weicheng(矫维成),Hong Yi(洪毅),et al.Synthesis and performance research of polyester polyurethane elastomers[J].Material Sciences(材料科学),2016,6(2):103-109.
[17]Quan Le(全乐),Tang Yumin(唐聿明),Zhu Yanfang(朱艳芳),et al.Study on protective property of epoxy/fluorocarbon composite coating for carbon steel in salt water[J].Paint&Coatings Industry(涂料工业),2016,46(4):18-22.
[18]Pan S,Wang N,Xiong D,et al.Fabrication of superhydrophobic coating via spraying method and its applications in anti-icing and anti-corrosion[J].Applied Surface Science,2016,389:547-553.
[19]Shafaamri A,Kasi R,Balakrishnan V,et al.Amelioration of anticorrosion and hydrophobic properties ofepoxy/PDMS composite coatings containing nano ZnO particles[J].Progress in Organic Coatings,2016,92:54-65.
[20]Qiao Guimin(乔贵民),Ren Zhenjia(任振甲),Zhang Jun(张军).Molecular dynamics simulation of corrosive medium diffusion in corrosion inhibitor membrane[J].Acta Physico-Chimica Sinica(物理化学学报),2010,26(11):3041-3046.
[21]Liu Linfa(刘林法),Liu Jinxiang(刘金祥),Zhang Jun(张军),et al.Molecular dynamics simulation of the corrosive medium diffusion behavior inhibited by the corrosion inhibitor membranes[J].Chemical Journal of Chinese Universities(高等学校化学学报),2010,31(3):537-541.
[22]You Long(尤龙),Liu Jinxiang(刘金祥),Zhang Jun(张军),et al.MD Study of imidazoline corrosion inhibition membranes restrain corrosive medium diffusion behaviors[J].Acta Chimica Sinica(化学学报),2010,68(8):747-752.