Physical chemistry
1. Theoretical study for evaluation of corrosion inhibition performance of two thiocarbohydrazide inhibitors

Sayyed Mostafa Habibi-Khorassani; Maryam Dehdab; Mahdieh Darijani

Volume 7, Issue 4. pp. 352-471, Serial No. 25 , Autumn 2019, , Pages 455-471

http://dx.doi.org/10.30473/icc.2019.28967.1351

Abstract
  Molecular dynamics (MD) simulation and Density functional theory (DFT) methods were applied to the two thiocarbohydrazides derivatives (T1 and T2) as corrosion inhibitors for carbon steel in aqueous phase. Experimental results have shown that the corrosion rate follows the below order: T1>T2. Quantum ...  Read More

Theoretical study for evaluation of corrosion inhibition performance of two thiocarbohydrazide inhibitors