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Ca^(2+)在金红石型二氧化钛晶体(110)晶面沉积过程原理
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作者 黄远 张丽兵 +2 位作者 万怡灶 何芳 王玉林 《有色金属》 CSCD 北大核心 2009年第2期24-28,共5页
基于密度泛函理论(DFT)框架下的第一性原理平面波超软赝势方法,采用CASTEP程序,结合结构优化方法,研究了液中Ca2+在金红石型TiO2(110)晶面的沉积过程。结果表明,在沉积过程中,溶液中的Ca2+首先和水分子结合形成络合物[Ca(H2O)5]2+,而沉... 基于密度泛函理论(DFT)框架下的第一性原理平面波超软赝势方法,采用CASTEP程序,结合结构优化方法,研究了液中Ca2+在金红石型TiO2(110)晶面的沉积过程。结果表明,在沉积过程中,溶液中的Ca2+首先和水分子结合形成络合物[Ca(H2O)5]2+,而沉积的一个关键条件为TiO2(110)晶面的羟基化。[Ca(H2O)5]2+与羟基化的TiO2(110)晶面通过静电作用相互结合完成Ca2+的沉积。 展开更多
关键词 无机非金属材料 钙离子沉积 密度泛函理论 CASTEP TiO2 HAP
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Verification of Levich Law-Determination of Hydrogen Currents during Calcareous Deposition
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作者 N. Ghemmit Doulache H. Khireddine D. Si Salah 《Journal of Environmental Science and Engineering》 2011年第10期1269-1275,共7页
The complexity of calcareous deposits processes in a marine environment results in simultaneous effects of the following parameters: temperature, polarization potential, interfacial pH, chemical composition, etc.. Th... The complexity of calcareous deposits processes in a marine environment results in simultaneous effects of the following parameters: temperature, polarization potential, interfacial pH, chemical composition, etc.. The comprehension of these processes implies studies in artificial seawater and a follow-up of the parameters by voltarnperometry and chronoamperometry. Calcareous deposits electrochemically are very often used to follow up the evolution of scale deposition in desalination circuits. Again, the scale formation is brought about by electrochemical reduction of dissolved oxygen. The hydroxyl ions formed on the metallic surface engender a rise of interfacial pH which causes calcareous deposition (CaCOs and Mg(OH)2). This reaction goes with reaction of hydrogen evolution which could disrupt the formed deposit, A study is carried out in a solution of seawater ASTM without calcium and without magnesium (so that the deposit will not be formed) on a titanium rotating disk electrode monitored between 300 and 1000 rpm. Study shows that Levich criterion is checked for the four values of selected potential on the diffusion plateau and a very cathodic polarization potential and a high temperature favors hydrogen current rate. 展开更多
关键词 Calcareous deposits TITANIUM Levich criterion hydrogen current potential temperature.
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