Adsorption of mercury(II) chloride and carbon dioxide on graphene/calcium oxide (0 0 1)

• Main Authors: Mananghaya, Michael, Yu, Dennis, Santos, Gil Nonato, Rodulfo, Emmanuel
• Format: text
• Published: Animo Repository 2016
• Subjects: Mercuric chloride—Absorption and adsorption; Computer simulation; Nanostructures; Chemical Engineering
• Online Access: https://animorepository.dlsu.edu.ph/faculty_research/1419; https://animorepository.dlsu.edu.ph/context/faculty_research/article/2418/type/native/viewcontent
• Institution: De La Salle University

In this work, recent progress on graphene/metal oxide composites as advanced materials for HgCl2 and CO2 capture was investigated. Density Functional Theory calculations were used to understand the effects of temperature on the adsorption ability of HgCl2 and water vapor on CO2 adsorption on CaO (00...