Park, Sunghyun Choi, Keunsu Yu, Hyun Jung Won, Young-June Kim, Chaehoon Choi, Minkee Cho, So-Hye Lee, Jung-Hyun Lee, Seung Yong Lee, Jong Suk 2024-01-19T23:02:03Z 2024-01-19T23:02:03Z 2021-09-03 2018-04-04 0888-5885 https://pubs.kist.re.kr/handle/201004/121494 Tetraethylenepentamine (TEPA), consisting mainly of primary and secondary amines, exhibits a high CO2 sorption capacity; however, its poor thermal stability hampers process for CO2 capture. Here, a facile functionalization of practical utilization in the temperature swing adsorption TEPA with 1,2-epoxybutane (EB) substantially enhanced its thermal stability as well as the CO2 adsorption kinetics. Our careful analysis on the liquid-state C-13 NMR disclosed the amine state distribution of EB-functionalized TEPA (EB-TEPA). Although the increase in tertiary amine portion induced by EB-functionalization reduced CO2 sorption capacity, the 0.64EB-TEPA (i.e., TEPA functionalized with EB with a TEPA/EB molar ratio of 1:3)/SiO2 showed an excellent long-term stability over the 10 consecutive cycles of adsorption/desorption processes with a CO2 swing capacity of 2.0 mmol CO2 g(-1) under dry CO2/N-2 (15/85 mol/mol) feed conditions. Also, the first-principles calculation identified the configuration of modified TEPA molecules with XRD measurements, supporting an easy access of CO2 into amine moieties of our modified TEPA molecules. English AMER CHEMICAL SOC TOTAL-ENERGY CALCULATIONS MESOPOROUS SILICA CARBON-DIOXIDE MCM-41 SORBENTS SOLID SORBENTS ADSORPTION NANOCOMPOSITE EFFICIENCY NANOTUBES MEMBRANES Thermal Stability Enhanced Tetraethylenepentamine/Silica Adsorbents for High Performance CO2 Capture Article 10.1021/acs.iecr.7b04912 1 INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, v.57, no.13, pp.4632 - 4639 INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 57 13 4632 4639 scie scopus 000429508500016 2-s2.0-85045031816 Engineering, Chemical Engineering Article TOTAL-ENERGY CALCULATIONS MESOPOROUS SILICA CARBON-DIOXIDE MCM-41 SORBENTS SOLID SORBENTS ADSORPTION NANOCOMPOSITE EFFICIENCY NANOTUBES MEMBRANES CO2 capture tetraethylenepentamine silica thermal stability