Capturing CO2 via reactions in nanopores.

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Description

This one-year exploratory LDRD aims to provide fundamental understanding of the mechanism of CO2 scrubbing platforms that will reduce green house gas emission and mitigate the effect of climate change. The project builds on the team member's expertise developed in previous LDRD projects to study the capture or preferential retention of CO2 in nanoporous membranes and on metal oxide surfaces. We apply Density Functional Theory and ab initio molecular dynamics techniques to model the binding of CO2 on MgO and CaO (100) surfaces and inside water-filled, amine group functionalized silica nanopores. The results elucidate the mechanisms of CO2 trapping and ... continued below

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29 p.

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Leung, Kevin; Nenoff, Tina Maria; Criscenti, Louise Jacqueline; Tang, Z & Dong, J. H. October 1, 2008.

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Description

This one-year exploratory LDRD aims to provide fundamental understanding of the mechanism of CO2 scrubbing platforms that will reduce green house gas emission and mitigate the effect of climate change. The project builds on the team member's expertise developed in previous LDRD projects to study the capture or preferential retention of CO2 in nanoporous membranes and on metal oxide surfaces. We apply Density Functional Theory and ab initio molecular dynamics techniques to model the binding of CO2 on MgO and CaO (100) surfaces and inside water-filled, amine group functionalized silica nanopores. The results elucidate the mechanisms of CO2 trapping and clarify some confusion in the literature. Our work identifies key future calculations that will have the greatest impact on CO2 capture technologies, and provides guidance to science-based design of platforms that can separate the green house gas CO2 from power plant exhaust or even from the atmosphere. Experimentally, we modify commercial MFI zeolite membranes and find that they preferentially transmit H2 over CO2 by a factor of 34. Since zeolite has potential catalytic capability to crack hydrocarbons into CO2 and H2, this finding paves the way for zeolite membranes that can convert biofuel into H2 and separate the products all in one step.

Physical Description

29 p.

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  • Report No.: SAND2008-7053
  • Grant Number: AC04-94AL85000
  • Office of Scientific & Technical Information Report Number: 1086827
  • Archival Resource Key: ark:/67531/metadc828154

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Office of Scientific & Technical Information Technical Reports

Reports, articles and other documents harvested from the Office of Scientific and Technical Information.

Office of Scientific and Technical Information (OSTI) is the Department of Energy (DOE) office that collects, preserves, and disseminates DOE-sponsored research and development (R&D) results that are the outcomes of R&D projects or other funded activities at DOE labs and facilities nationwide and grantees at universities and other institutions.

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Creation Date

  • October 1, 2008

Added to The UNT Digital Library

  • May 19, 2016, 9:45 a.m.

Description Last Updated

  • June 17, 2016, 3:05 p.m.

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Leung, Kevin; Nenoff, Tina Maria; Criscenti, Louise Jacqueline; Tang, Z & Dong, J. H. Capturing CO2 via reactions in nanopores., report, October 1, 2008; Cincinnati, Ohio. (digital.library.unt.edu/ark:/67531/metadc828154/: accessed December 13, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.