The Physico-Chemical Properties of Al-Surface in Gas-phase andin Water, Ethanol and Methanol solvents by experimental andtheoretical methods

The physico-chemical properties of Al-Surface in Water, Methanol and Ethanolsolvents investigated by experimental potentiometric study and in gas-phase and insolvents at the Hartree-fock and DFT-B3LYP levels using the LANL2DZ basis setfrom the program package Gaussian 98.The experimental data show that thebehaviour of Al-Surface in gas-phase is near to Ethanol solvent in comparison withWater and Methanol solvents.This paper reports the energies and free energies at298K.The properties of Al-Surface in Ethanol solvent is equivalent to gas- phase.Thevalues of B3LYP/LANL2DZ level are in excellent agreement with experimentalresults

کلیدواژه ها:

Al-surface ، ethanol ، methanol ، water ، experimental ، theoretical methods