eng Science and Education Publishing American Journal of Materials Science and Engineering 2333-4673 2023-03-07 11 1 7 15 10.12691/ajmse-11-1-2 AJMSE20231112 article Ehouman Ahissan Donatien ehoumandona@gmail.com 1 Bamba Amara 2 Toure Hadja 2 Adou Eric 3 Kouakou Adjoumani Rodrigue 3 Mariko Kalifa 3 Dja Ahemou 3 Niamien Paulin 3 Yao Benjamin 3 4 Laboratoire de Thermodynamique et Physico-Chimie du Milieu, Universit¨¦ NANGUI ABROGOUA, 02 BP 882 Abidjan 02, C?te d¡¯Ivoire Laboratoire de Constitution et de R¨¦action de la Mati¨¨re, Universit¨¦ F¨¦lix Houphou?t Boigny, 22 BP 582 Abidjan 22, C?te d¡¯Ivoire ¨¦cole Doctorale Polytechnique, Institut National Polytechnique F¨¦lix Houphou?t-Boigny, Yamoussoukro, C?te d'Ivoire Tenoxicam was examined as a copper corrosion inhibitor in 1M nitric acid solution using the mass loss technique and quantum chemical studies, based on density functional theory (DFT) at the B3LYP level with the base B3LYP/6-31G(d). The inhibitory efficiency of the molecule increases with increasing concentration and temperature. The adsorption of the molecule on the copper surface follows the modified Langmuir model. The thermodynamic functions related to the adsorption and the activation processes were calculated and discussed. The calculated quantum chemical parameters correlated to the inhibition efficiency are the highest occupied molecular orbital energy (EHOMO), the lowest unoccupied molecular orbital energy (ELUMO), the HOMO-LUMO energy gap, hardness (¦Ç), softness (S), the dipole moment (µ), the electron affinity (A), the ionization energy (I), the absolute electronegativity (¦Ö), the fraction (?N) of electrons transferred from (MBT) to copper and the electrophilicity index (¦Ø). The local reactivity was analyzed through the condensed Fukui function and condensed softness indices to determine the nucleophilic and electrophilic attack sites. There is good agreement between the experimental and theoretical results. http://pubs.sciepub.com/ajmse/11/1/2/ajmse-11-1-2.pdf Tenoxicam corrosion inhibition copper density functional theory (DFT) mass loss technique