Doctorant
InterACT
ezekiel.lokonon@univ-lorraine.fr
– Atomistic modeling of adsorption in porous materials and carbon surfaces
– DFT simulations of pollutant capture in zeolithes, clays, and graphene-based materials
– Competitive adsorption mechanisms (H2O/CO2/VOCs/chlorinated compounds)
– Thermodynamic analysis of adsorption processes
– Perform DFT Calculations and atomistic simulations to study adsorption mechanisms in porous materials
– Investigate the selective adsorption of organic pollutants and anesthetic gases in zeolithes, clays, and graphene-based materials
– Analyze thermodynamic properties of adsorption (energy, enthalpy, free energy)
– Compare materials under competitive adsorption conditions
– Contribute to scientific publications and presentations of research results
