Volume 13 (2022)
Volume 12 (2021)
Volume 11 (2020)
Volume 10 (2019)
Volume 9 (2018)
Volume 8 (2017)
Volume 7 (2016)
Volume 6 (2015)
Volume 5 (2014)
Volume 4 (2013)
Volume 3 (2012)
Volume 2 (2011)
Volume 1 (2010)
Role of Functional Groups in Selective Adsorption of Gold over Copper Cyano complexes by Activated Carbon: A DFT Study

S. Ghasemi; S. Mohammadnejad; M. R. Khalesi

Volume 13, Issue 3 , July 2022, , Pages 891-901

https://doi.org/10.22044/jme.2022.12125.2210

Abstract
  The adsorption of gold and copper cyanide complexes on the activated carbon is investigated using the Density Functional Theory (DFT). In order to represent the activated carbon, two fullerene-like model (presenting structural defect sites) and a simple graphene layer containing different functional ...  Read More

Mineral Processing
An insight into effect of surface functional groups on reactivity of Sphalerite (110) surface with Xanthate collector: a DFT study

M. Mohseni; M. Abdollahy; R. Poursalehi; M. R. Khalesi

Volume 9, Issue 2 , April 2018, , Pages 431-439

https://doi.org/10.22044/jme.2017.5965.1411

Abstract
  The reactivity of the protonated and hydroxylated sphalerite (1 1 0) surface with xanthate was simulated using the density functional theory (DFT). The difference between the energy of the lowest unoccupied molecular orbital of the sphalerite surface and the energy of the highest occupied molecular orbital ...  Read More