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英语翻译2.Experimental details2.1.Preparation of the samples and

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英语翻译
2.Experimental details
2.1.Preparation of the samples and films
MMT (A.R.grade) was dissolved in tridistilled water with the controlled concentrations (10−3 M and 10−2 M).The 0.5 M H2SO4 solutions were prepared with concentrated H2SO4 and tridistilled water.The working electrode was made from a
99.9% pure iron rod.The electrode was embedded in epoxy resin and only its top surface was exposed to the solution.The exposed surface was ground with emery paper of different grit sizes up to 1600,and polished with 1 μm diamond spray until a mirror surface was obtained.After rinsed with tridistilled water and absolute ethanol,the electrode was etched in a 0.2MH2SO4 solution for 15 s in order to obtain an active iron surface.Then it was rinsed with water again as soon as possible,and immersed in MMT solutions (pH=2 and pH=6.5) immediately.The pH value of the solution was adjusted by 0.5 M H2SO4.After the formation of the self-assembled films,the electrode was rinsed with tridistilled water again.
2.2.EIS measurement
EIS experiments were carried out in a three-electrode cell.The reference electrode was a saturated-calomel electrode
(SCE).It was in a separate compartment connected with the main part by a fine Luggin capillary to minimize ohmic resistance.
And all potential values were referred to the SCE.The counter electrodes were two sheets of platinum placed in two
sides of the working electrode respectively.All tests were carried out in 0.5 M H2SO4 solutions.
EIS measurements were conducted with an IM6 impedance and electrochemical measurement system (ZAHNER,Germany).EIS tests were performed in a frequency range of 60 kHz to 20 mHz under excitation of a sinusoidal perturbation signal of 5 mV amplitude at open circuit potential.
2.3.Calculation method
Considering the accuracy and convenience of ab initio method,B3LYP method of density functional theory (DFT) on the basis set of LANL2DZ was used to perform a full geometry optimization of theMMT molecule and the accomplished system after the MMT molecule adsorbed on the iron surface.All quantum calculations were accomplished by program Gaussian 98.
2.实验细节
2.1.试剂的准备
甲基茂基三羰基锰(二级试剂)溶解在3次蒸馏后的水中,浓度在10-3mol/L至10-2mol/L之间.0.5mol/L的硫酸溶液(由浓硫酸稀释而得).工作电极是由纯度为99.9%的铁棒构成.电极嵌入到环氧树脂中并且只有顶部的表面与溶液接触.暴露的电极要用磨料粒度高达1600的砂纸打磨,并用1μm的金刚喷雾剂打磨直到表面如镜面一般.在用3次蒸馏过的水和纯乙醇冲洗之后,把电极浸入0.2mol/L的硫酸15秒从而得到有活性的铁表面,然后尽快用水冲洗,立即浸入到甲基茂基三羰基锰溶液中(pH=2和pH=6.5)pH值用0.5mol/L的硫酸溶液调节.当有薄膜形成后,再次把电极浸入3次蒸馏的水中.
2.2 EIS 分析
EIS实验在有三个电极的电池中进行,参比电极是一个饱和的甘汞电极(SCE).它被分成不同的部分,但都通过鲁金毛细管与主体相连,目的是为了减少电阻.
所有的位势值都是针对于参比电极.极板是2片钛薄板分别分布在工作电极两边.所有的实验都在0.5mol/L的硫酸中进行.EIS分析通过IM6 电化学测试及数据处理仪和电化学测量系统(ZAHNER,德国).EIS实验在频率范围为60KHz到20MHz,在振幅在开路电势下为5mV的的正弦扰动刺激范围内进行.
2.3.计算方法
考虑到采用从头算(ab initio)的准确性和简便性,基于LANL2DZ算法的密度泛函理论(DFT B3LYP)方法可以用来对MMT分子和再MMT被铁表面吸收以后的系统进行全几何优化.所有的定量计算都由软件Gaussian 98完成.
大体看一下吧,水平有限,一些专业名词实在不知道怎么弄