caa a22 4500 46574320X CHVBK 20180323111813.0 cr unu---uuuuu 170327e19900701xx s 000 0 eng 10.1007/BF02697348 doi (NATIONALLICENCE)springer-10.1007/BF02697348 Quantum chemical consideration of CO adsorption over cation exchanged faujasite [Elektronische Daten] [Jong Kim, Myung Kim, Sang Hong, Doo Park] CNDO/2 calculation for atomic charges, Wiberg bond orders and adsorption energies of CO molecules on the cluster model whose Si/Al ratio varied were carried out. The data for the normal cluster and dealuminated cluster were compared. Decationization energies of the cations increased with the charge densities of cation and number of aluminum involved. Adsorption process of CO on the monovalent cations such as H+, Li+, Na+ and divalent cations, Be2+, Ca2+, and Mg2+ was supposed to be occurring by the donation of non-bonded electrons from CO. The decationization energies of cations obviously decreased by the dealumination process. Adsorption energies of CO on the cations generally decreased as the dealumination look place except the case of H+ and Na+. Korean Institute of Chemical Engineering, 1990 Kim Jong Department of Industrial Chemistry, Kyungpook National University, 702-701, Taegu, Korea aut Kim Myung Department of Industrial Chemistry, Kyungpook National University, 702-701, Taegu, Korea aut Hong Sang Department of Industrial Chemistry, Kyungpook National University, 702-701, Taegu, Korea aut Park Doo Department of Industrial Chemistry, Kyungpook National University, 702-701, Taegu, Korea aut Korean Journal of Chemical Engineering Springer-Verlag 7/3(1990-07-01), 169-174 0256-1115 7:3<169 1990 7 11814 https://doi.org/10.1007/BF02697348 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF02697348 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Kim Jong Department of Industrial Chemistry, Kyungpook National University, 702-701, Taegu, Korea aut NATIONALLICENCE 700 1- Kim Myung Department of Industrial Chemistry, Kyungpook National University, 702-701, Taegu, Korea aut NATIONALLICENCE 700 1- Hong Sang Department of Industrial Chemistry, Kyungpook National University, 702-701, Taegu, Korea aut NATIONALLICENCE 700 1- Park Doo Department of Industrial Chemistry, Kyungpook National University, 702-701, Taegu, Korea aut NATIONALLICENCE 773 0- Korean Journal of Chemical Engineering Springer-Verlag 7/3(1990-07-01), 169-174 0256-1115 7:3<169 1990 7 11814 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer