【摘 要】
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This study describes the adsorption behavior of three arylthiophene derivatives namely:2-(4-amidino-3-fluorophenyl)-5-[4-methoxy phenyl]thiophene dihydrochloride salt (MA-1217),2-(4-amidinophenyl)-5-[4-chlorophenyl]thiophene dihydrochloride salt (MA-1316)
【机 构】
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Department of Chemistry,Faculty of Science,El-Mansoura University,El-Mansoura 35516,Egypt;Department
论文部分内容阅读
This study describes the adsorption behavior of three arylthiophene derivatives namely:2-(4-amidino-3-fluorophenyl)-5-[4-methoxy phenyl]thiophene dihydrochloride salt (MA-1217),2-(4-amidinophenyl)-5-[4-chlorophenyl]thiophene dihydrochloride salt (MA-1316) and 2-(4-amidino-3-fluorophenyl)-5-[4-ch lorophenyl]thiophene dihydrochloride salt (MA-1312) at C-steel in 1.0 mol·L-1 HCl interface using exper-imental and theoretical studies.Electrochemical and mass loss measurements showed that the inhibition efficiency (IE) of the arylthiophene derivatives increases with increasing concentrations and exhibited maximum efficiency 89％ at 21 × 10-6 mol·L-1 (MA-1217) by mass loss method.The investigated arylth-iophene derivatives obey the Langmuir adsorption isotherm.From polarization studies the arylthiophene derivatives act as mixed-type inhibitors.Surface analysis were carried out and discussed.The mode of orientation and adsorption of inhibitor molecules on C-steel surface was studied using molecular dynam-ics (MD) simulations.Quantum chemical parameters as well as the radial distribution function indices and binding energies confirm the experimental results.
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