TY - JOUR U1 - Zeitschriftenartikel, wissenschaftlich - begutachtet (reviewed) A1 - Möller, Andreas A1 - Guderian, Jens A1 - Möllmer, Jens A1 - Lange, Marcus A1 - Hofmann, Jörg A1 - Gläser, Roger T1 - Kinetische Untersuchungen der adsorptiven Luftzerlegung an Kohlenstoffmolekularsieben JF - Chemie - Ingenieur - Technik : CIT KW - Luftzerlegung KW - Kinetik KW - Adsorption KW - Kohlenstoff KW - Molekularsieb Y1 - 2013 SN - 1522-2640 SS - 1522-2640 U6 - https://dx.doi.org/10.1002/cite.201300063 DO - https://dx.doi.org/10.1002/cite.201300063 VL - 85 IS - 11 SP - 1680 EP - 1685 ER - TY - JOUR U1 - Zeitschriftenartikel, wissenschaftlich - begutachtet (reviewed) A1 - Lange, Marcus A1 - Kobalz, Merten A1 - Bergmann, Jens A1 - Lässig, Daniel A1 - Lincke, Jörg A1 - Möllmer, Jens A1 - Möller, Andreas A1 - Hofmann, Jörg A1 - Krautscheid, Harald A1 - Staudt, Reiner A1 - Gläser, Roger T1 - Structural flexibility of a copper-based metal–organic framework: sorption of C4-hydrocarbons and in situ XRD JF - Journal of Materials Chemistry A KW - Oberflächenbehandlung Y1 - 2014 SN - 2050-7496 SS - 2050-7496 U6 - https://dx.doi.org/10.1039/C3TA15331B DO - https://dx.doi.org/10.1039/C3TA15331B VL - 2 SP - 8075 EP - 8085 ER - TY - JOUR U1 - Zeitschriftenartikel, wissenschaftlich - begutachtet (reviewed) A1 - Möller, Andreas A1 - Guderian, Jens A1 - Möllmer, Jens A1 - Lange, Marcus A1 - Hofmann, Jörg A1 - Gläser, Roger T1 - Kinetische Untersuchungen zur Aufkonzentrierung methanhaltiger Gasgemische an Kohlenstoffmolekularsieben JF - Chemie - Ingenieur - Technik : CIT KW - Kohlenstoff KW - Molekularsieb KW - Gasgemisch KW - Methan Y1 - 2014 SN - 1522-2640 SS - 1522-2640 U6 - https://dx.doi.org/10.1002/cite.201300067 DO - https://dx.doi.org/10.1002/cite.201300067 VL - 86 IS - 1-2 SP - 41 EP - 46 ER - TY - JOUR U1 - Zeitschriftenartikel, wissenschaftlich - begutachtet (reviewed) A1 - Mileo, Paulo G. M. A1 - Cavalcante, Célio Loureiro A1 - Möllmer, Jens A1 - Lange, Marcus A1 - Hofmann, Jörg A1 - Lucena, Sebastião M. P. T1 - Molecular simulation of natural gas storage in Cu-BTC metal–organic framework JF - Colloids and Surfaces A: Physicochemical and Engineering Aspects N2 - We tested the MOF framework Cu-BTC for natural gas (NG) storage. Adsorption isotherms of C1–C4 alkanes were simulated applying the Grand Canonical ensemble and the Monte Carlo algorithm in a classical molecular mechanics approach. Experimental monocomponent isotherm of the alkanes was used to validate the force field. We performed multicomponent adsorptions calculations for three different quaternary mixtures of C1–C4 alkanes, matching typical NG streams composition, and predicted theoretical storage capacities, efficiency and accumulation of the NG within that composition. Despite being one of the frameworks with greatest storage capacity of methane, we found that Cu-BTC presented great sensitivity to the variation of the heavier alkanes in NG composition. When we increase the percentage of butane from 0.1% to 0.7% in the mixture, the mass of components retained in the discharge pressure (1 bar) increases from 35 to 60%. We also perform siting and interaction energy investigations and compare the NG storage performance of the Cu-BTC with that of activated carbons. To our knowledge, this is the first study regarding the efficiency of the NG storage in Cu-BTC. KW - Gasbehälter KW - Metallorganisches Netzwerk KW - Simulation Y1 - 2014 SN - 0927-7757 SS - 0927-7757 U6 - https://dx.doi.org/10.1016/j.colsurfa.2014.09.017 DO - https://dx.doi.org/10.1016/j.colsurfa.2014.09.017 VL - 462 SP - 194 EP - 201 PB - Elsevier ER -