Mechanism and kinetics of carbon dioxide adsorption in metal organic frameworks

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dc.contributor.authorDas, Aen_AU
dc.contributor.authorDuyker, SGen_AU
dc.contributor.authorPeterson, VKen_AU
dc.contributor.authorD'Alessandro, DMen_AU
dc.date.accessioned2021-10-08T04:25:49Zen_AU
dc.date.available2021-10-08T04:25:49Zen_AU
dc.date.issued2012-11-07en_AU
dc.date.statistics2021-09-23en_AU
dc.descriptionNot available online. Conference Handbook is held by ANSTO Library at DDC 539.758/9.en_AU
dc.description.abstractMetal-organic frameworks (MOFs) are a class of porous material possessing high crystallinity, which may be specifically targeted to carbon dioxide (CO2) capture and separation in order to meet global targets associated with the reduction of CO2 emissions from industrial sources. The selectivity of MOFs for CO2 uptake over other gases (e.g. N2) may be improved through the introduction of functional groups known to interact with carbon dioxide, e.g. amines, which react with CO2 in an acid- base mechanism. The specific mechanisms and kinetics of CO2 adsorption in such materials are not widely understood, but may be elucidated using neutron diffraction techniques. We have previously employed neutron diffraction in preliminary experiments to investigate the in situ concentration-dependent behaviour of CO2 adsorption in [Ni2(dobdc)] (dobdc = 2,5-dioxido-1,4-benzenedicarboxylate) and our recently published piperazine-functionalised framework [Ni2(dobdc)(pip)0.5]. We are further expanding our repertoire of materials and types of functional groups investigated using this method; in particular, we are investigating the interaction of CO2 molecules with pendant functional groups such as sulfones, primary amines and secondary amines. The nature of these interactions may be explored using X-ray diffraction, gas sorption, gravimetric analysis using mixed gas streams and infrared spectroscopy; however, neutron diffraction presents a powerful and unique in situ technique to probe the temperature- and concentration-dependent behaviour of CO2 binding to identify intermediate binding species, fully explore the binding mode of CO2 and investigate structural effects in the adsorbate material. Mixed gas (CO2/N2) experiments will be used to explore the specificity of the host-guest behaviour in these functionalised frameworks. Based upon this data, it will be possible explore specific chemical factors contributing to selective CO2 capture, and in doing so contribute to the design of new materials or improve upon existing ones for CO2 uptake.en_AU
dc.identifier.citationDas, A., Duyker, S., Peterson, V. & D'Alessandro, D. M. (2012). Mechanism and kinetics of carbon dioxide adsorption in metal organic frameworks. Paper presented at the 10th AINSE-ANBUG Neutron Scattering Symposium (AANSS), Sydney, 7- 9 November 2012 (pp. 62)en_AU
dc.identifier.conferenceenddate9 November 2012en_AU
dc.identifier.conferencename10th AINSE-ANBUG Neutron Scattering Symposium (AANSS)en_AU
dc.identifier.conferenceplaceSydney, NSW, Australiaen_AU
dc.identifier.conferencestartdate7 November 2012en_AU
dc.identifier.pagination62en_AU
dc.identifier.urihttps://apo.ansto.gov.au/dspace/handle/10238/11901en_AU
dc.language.isoenen_AU
dc.publisherAustralian Institute of Nuclear Science and Engineering (AINSE)en_AU
dc.subjectAminesen_AU
dc.subjectCarbon dioxideen_AU
dc.subjectNeutron diffractionen_AU
dc.subjectMaterialsen_AU
dc.subjectPorous materialsen_AU
dc.subjectKineticsen_AU
dc.subjectX-ray diffractionen_AU
dc.subjectSpectroscopyen_AU
dc.titleMechanism and kinetics of carbon dioxide adsorption in metal organic frameworksen_AU
dc.typeConference Presentationen_AU
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