一种可聚合光引发剂的合成及性能

以2-羟基-2-甲基-1-苯基丙酮、异佛尔酮二异氰酸酯和丙烯酸羟乙酯合成了一种可聚合紫外光引发剂。用红外光谱、核磁共振谱和紫外-可见吸收光谱对合成产物进行了分析和表征。通过综合热分析仪(Photo-DSC)研究了合成产物和2-羟基-2-甲基-1-苯基丙酮在光固化体系中的引发效率及其固化后的相对迁移率。结果表明,合成的产物为目标可聚合紫外光引发剂,将其添加在紫外光固化体系中,随着添加量从3%增加到15%,引发效率逐渐增强。按照相同自由基浓度条件计算,12%合成产物的引发效率接近于5%1173,但是其固化过程中的迁移率却不到1173的10%。     

可聚合性季铵盐及其共聚物的制备与性能研究

以对氯甲基苯乙烯和十二烷基二甲基叔胺为原料,合成了一种可聚合性季铵盐(PQA),并采用自由基溶液聚合法制备了季铵盐-丙烯腈二元共聚物(PQA-co-AN).用FT-IR、1H-NMR和EA表征了PQA和PQA-co-AN的结构,同时用DSC-TG研究了其热稳定性,并测试其抗菌性能.结果表明,PQA经与AN共聚后,共聚物PQA-co-AN的热稳定性和抗菌性能都比单体PQA有所提高.     

杜仲胶/天然橡胶共混物的分子动力学模拟和耗散粒子动力学模拟

应用分子动力学(MD)和耗散粒子动力学(DPD)模拟方法对杜仲胶(TPI)、天然橡胶(NR)的相容性进行了研究。采用MD模拟方法,在COMPASS力场下,对纯物质在不同聚合度下的溶度参数、一系列共混比的TPI/NR共混物内聚能密度、Flory-Huggins作用参数进行了模拟计算,确定了纯物质单链的聚合度,经判断各比例共混物的相容性均较好;采用DPD模拟方法对TPI/NR共混体系的相结构进行了研究,从等密度图可以进一步判断共混体系的相容性;分析比较两种纯物质的径向分布函数,揭示了其相互作用的本质;经过分析比较静态力学性能,发现共混比为1/3的TPI/NR共混物性能最佳,其结论与实验结果一致。     

含季铵盐聚合物丙烯酸酯共混防污涂料的制备与性能

用溶液聚合法合成了甲基丙烯酰乙基三甲基氯化铵(DMC)-甲基丙烯酸缩水甘油醚(GMA)-丙烯酸乙酯含季铵盐聚合物(QASP)的丙烯酸酯共聚物,并将合成的含季铵盐的丙烯酸酯共聚物和气相二氧化硅触变剂、氧化亚铜防污剂碾磨混合均匀得到共混物防污涂料。测试结果表明:随着共混物涂料中DMC用量的增加,涂层的抗拉强度先增加后降低,剪切强度降低,亲水性增强,有利于阻抗蛋白质的吸附;涂层吸水率的温敏性较强;防污涂料中铜离子渗出率在达到峰值后还能保持在比较高的水平,对于防污有效。     

以木质素基磷酸酯季铵盐为模板剂直接沉淀法制备纳米氧化锌的研究

利用制浆造纸废料碱木质素制备了木质素基磷酸酯季铵盐两性表面活性剂,以此表面活性剂为结构导向剂,采用直接沉淀法一步制备了纳米氧化锌材料,XRD、EDS和SAED分析结果表明,产物为高结晶度的多晶六方纤维锌矿氧化锌,粒径在30nm左右;SEM和TEM分析可知,所合成的纳米氧化锌为具有粒子-片层-粒子三级结构的纳米材料,氧化锌主要沿着[101]和[100]晶面生长。同时对所制备的纳米氧化锌进行了紫外光催化降解亚甲基蓝的研究,实验结果显示,该纳米氧化锌有较好的光催化活性。     

用植物胶粉改性咪唑啉季铵盐型缓蚀剂

从环保、经济和应用角度,利用天然高分子F_(691)胶粉接枝阳离子咪唑啉季铵盐,对其进行改性,合成了一种新型高效酸缓蚀剂FNP-Ⅰ.结果表明,在1 mol/L盐酸,60℃条件下,投加25 mg/L FNP-Ⅰ,缓蚀率可达到97%以上,在3 mol/L盐酸,60℃条件下,投加2 000 mg/L,缓蚀率可达到93%以上.FNP-Ⅰ具有非常好的缓蚀性能,同时具有较高的性价比,市场应用前景良好.     

季铵盐对热熔预浸料用环氧树脂胶膜室温贮存期的影响

采用通常用作阳离子型表面活性剂和相转移催化剂的苄基三乙基氯化铵,作为酸酐/环氧树脂体系的促进剂,制备了复合材料预浸料用环氧树脂胶膜,研究了其室温和高温固化特征。结果表明,与咪唑类促进剂相比,季铵盐作促进剂的环氧树脂室温固化反应速率小,而高温固化反应速率和凝胶时间几乎相等,在保证环氧树脂固化体系高温固化速率的前提下,季铵盐对环氧树脂胶膜的室温固化产生明显的阻缓作用,实测环氧树脂胶膜室温贮存期由使用咪唑类的5 d延长为8 d,理论室温极限贮存时间由8 d延长为11 d。     

Early Stage of Oxidation on Titanium Surface by Reactive Molecular Dynamics Simulation

Understanding of metal oxidation is very critical to corrosion control, catalysis synthesis, and advanced materials engineering. Metal oxidation is a very complex phenomenon, with many different processes which are coupled and involved from the onset of reaction. In this work, the initial stage of oxidation on titanium surface was investigated in atomic scale by molecular dynamics (MD) simulations using a reactive force field (ReaxFF). We show that oxygen transport is the dominant process during the initial oxidation. Our simulation also demonstrate that a compressive stress was generated in the oxide layer which blocked the oxygen transport perpendicular to the Titanium (0001) surface and further prevented oxidation in the deeper layers. The mechanism of initial oxidation observed in this work can be also applicable to other self-limiting oxidation.     

Surface Effect on Phase Transformation of Single Crystal NiTi Shape Memory Alloys Studied by Molecular Dynamics Simulation

Surface effect on phase transformation of single crystal (SC) NiTi shape memory alloys (SMAs) with various thicknesses and various Ni contents is studied by molecular dynamics simulation. For the SMAs with various thicknesses considering surface effect, the residual strain, the average atomic potential energy, and the four characteristic phase transformation temperatures all increase, and fewer twinned martensite boundaries are left after cooling compared to the sample without considering surface effect. Moreover, with increasing thickness of the sample, the surface effect is gradually weakened, and there is no obvious regularity in phase transformation characteristics. For the SMAs with various Ni contents considering surface effect, segmental martensite phase transformation, phase transformation fluctuation, and wider phase transformation temperature ranges are observed, whereas these phenomena do not occur in the sample without considering surface effect. With the increasing of Ni contents, for both cases of considering surface effect or not, the critical stress of phase transformation, average atomic potential energy, the modulus of detwinned martensite increase, but the phase transformation temperature and modulus of twinned martensite decrease.