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Full-Text Articles in Computational Chemistry

Inhibition Mechanism Of Imidazoline Derivate In Simulated Water From Deep Gaswell Containing Co_2, Yuan Lu, He-Xia Liu, Jing-Mao Zhao Aug 2007

Inhibition Mechanism Of Imidazoline Derivate In Simulated Water From Deep Gaswell Containing Co_2, Yuan Lu, He-Xia Liu, Jing-Mao Zhao

Journal of Electrochemistry

The electrochemical method and atomic force microscope(AFM) were applied to study the inhibition mechanism of Im-D,an imidazoline derivate inhibitor,for mild steel in CO2 saturated solution.The imidazoline derivate can inhibit effectively CO2 corrosion,make the steel surface smoother and belongs to the anodic controlled mixed-type inhibitor.Its adsorption on the surface of mild steel is a spontaneous and exothermic process accompanied by the decrease of entropy and follows the Langmuir adsorption isothermal equation.The lower temperature will facilitate the process.The changes in the apparent activation energy(Ea) and the pre-exponential factor(A) of the corrosion reaction before and after the addition of inhibitor were also discussed.


Simulation Of A Packed-Bed Electrochemical Reactor With Cooled Cathode For Continuously Producing Glyoxylic Acid By Oxalic Acid, Qing-Biao Li, Xiao-Hui Hu, Xue-Yun Chen, Wei Li, Yu-Zhong Su, Jun Li May 2007

Simulation Of A Packed-Bed Electrochemical Reactor With Cooled Cathode For Continuously Producing Glyoxylic Acid By Oxalic Acid, Qing-Biao Li, Xiao-Hui Hu, Xue-Yun Chen, Wei Li, Yu-Zhong Su, Jun Li

Journal of Electrochemistry

Oxalic acid electrochemical reduction has been suggested as an important technology to produce glyoxylic acid;the packed-bed electrochemical reactor with cooled cathode(PERCC)has been proposed to solve the problem of lower space-time-yield that appeared in the parallel electrode reactor.Based on the mass balance equations,charge balance equations and kinetics equations of the system,a two-dimensional reactor model was established to describe the continuous operation process for producing glyoxylic acid from oxalic acid by PERCC.Using the orthogonal collocation method,the model equations could be numerically solved,and the glyoxylic concentration along the reactor length could be simulated.The modeling results indicated that the glyoxylic concentration increased quickly at …