竹叶提取物对铝在HCl溶液中的缓蚀作用

用不同浓度的C₂H₅OH（体积分数：20%-80%）从金竹竹叶中提取制备出竹叶缓蚀剂（简称为PSLE）,用紫外-可见（UV-Vis）光谱和傅里叶变换红外（FTIR）光谱对其进行了表征,并对总黄酮含量进行了测定. 采用失重法、动电位极化曲线、电化学阻抗谱（EIS）和扫描电子显微镜（SEM）研究PSLE在HCl 介质中对铝的缓蚀作用.采用量子化学密度泛函理论（DFT）研究了两个主要竹叶黄酮成分牡荆苷和异牡荆苷的吸附方式. 结果表明：PSLE对铝具有良好的缓蚀作用,且在铝表面的吸附符合Langmuir 吸附等温式. 缓蚀率随其浓度的增加而增大,但随温度的升高和盐酸浓度的增加而降低. 竹叶总黄酮含量和竹叶缓蚀剂的缓蚀性能有良好的相关性,初步推测竹叶缓蚀剂的有效成分主要为竹叶黄酮类化合物. PSLE为阴极抑制型缓蚀剂;EIS 在高频区呈容抗弧,在低频区呈感抗弧,添加PSLE后,阻抗值显著增大. SEM表明添加PSLE对铝的腐蚀产生了明显的抑制作用.量子化学计算结果表明,牡荆苷和异牡荆苷的吸附中心主要集中在竹叶黄酮骨架（FBS）.     

竹叶提取物对铝在HCl溶液中的缓蚀作用(英文)

用不同浓度的C2H5OH(体积分数:20%-80%)从金竹竹叶中提取制备出竹叶缓蚀剂(简称为PSLE),用紫外-可见(UV-Vis)光谱和傅里叶变换红外(FTIR)光谱对其进行了表征,并对总黄酮含量进行了测定.采用失重法、动电位极化曲线、电化学阻抗谱(EIS)和扫描电子显微镜(SEM)研究PSLE在HCl介质中对铝的缓蚀作用.采用量子化学密度泛函理论(DFT)研究了两个主要竹叶黄酮成分牡荆苷和异牡荆苷的吸附方式.结果表明:PSLE对铝具有良好的缓蚀作用,且在铝表面的吸附符合Langmuir吸附等温式.缓蚀率随其浓度的增加而增大,但随温度的升高和盐酸浓度的增加而降低.竹叶总黄酮含量和竹叶缓蚀剂的缓蚀性能有良好的相关性,初步推测竹叶缓蚀剂的有效成分主要为竹叶黄酮类化合物.PSLE为阴极抑制型缓蚀剂;EIS在高频区呈容抗弧,在低频区呈感抗弧,添加PSLE后,阻抗值显著增大.SEM表明添加PSLE对铝的腐蚀产生了明显的抑制作用.量子化学计算结果表明,牡荆苷和异牡荆苷的吸附中心主要集中在竹叶黄酮骨架(FBS).     

Addition Mechanisms of Phenol toward Formaldehyde under Acidic Condition： a Theoretical Investigation

The reaction mechanisms of phenol with formaldehyde in the first and second addition at the ortho- and para-position in acid solution were theoretically investigated at the PW91/DNP level with solvent effects included. The reaction of phenol with protonated methanediol firstly forms an adduct intermediate, via a SN2 mechanism with a water molecule as the leaving group. From the adduct intermediate, there are two reaction channels involving a proton transfer to form the addition products. One is that a proton directly transfers via a four-membered ring transition state with a notable energy barrier (Four-member mechanism). Another mechanism involving a water molecule as catalyst to mediate the proton transfer (WCP mechanism), is a barrierless process, indicating that the formation of the adduct intermediate, the first reaction step, is rate-limiting. The reaction products are free hydroxymethyl phenols and/or hydroxybenzy carbocation (HOC6H4CH2+) which plays an important role in the following formation of methylene and methylene ether linkages. The second addition reactions between formaldehyde and hydroxymethyl phenol at all possible reaction sites of the phenol ring in acid solution were also investigated and discussed.     

竹叶提取物对铝在HCI溶液中的缓蚀作用

用不同浓度的C2H5OH(体积分数:20％-80％)从金竹竹叶中提取制备出竹叶缓蚀剂(简称为PSLE),用紫外-可见(UV-Vis)光谱和傅里叶变换红外(FTIR)光谱对其进行了表征,并对总黄酮含量进行了测定.采用失重法、动电位极化曲线、电化学阻抗谱(EIS)和扫描电子显微镜(SEM)研究PSLE在HCI介质中对铝的缓蚀作用.采用量子化学密度泛函理论(DFT)研究了两个主要竹叶黄酮成分牡荆苷和异牡荆苷的吸附方式.结果表明:PSLE对铝具有良好的缓蚀作用,且在铝表面的吸附符合Langmuir吸附等温式.缓蚀率随其浓度的增加而增大,但随温度的升高和盐酸浓度的增加而降低.竹叶总黄酮含量和竹叶缓蚀剂的缓蚀性能有良好的相关性,初步推测竹叶缓蚀剂的有效成分主要为竹叶黄酮类化合物.PSLE为阴极抑制型缓蚀剂;EIS在高频区呈容抗弧,在低频区呈感抗弧,添加PSLE后,阻抗值显著增大.SEM表明添加PSLE对铝的腐蚀产生了明显的抑制作用.量子化学计算结果表明,牡荆苷和异牡荆苷的吸附中心主要集中在竹叶黄酮骨架(FBS).