FY2010 - Oak Ridge National Laboratory

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Director’s R&D Fund— Neutron Sciences 05227 Fundamental Neutron Scattering Studies of the Molecular Mobility and Interactions between Natural Porous Media and Greenhouse Gases for Efficient Geological Carbon Storage and Enhanced Coal Bed Recovery Yuri B. Melnichenko, G. Cheng, E. Mamontov, G. D. Wignall, M. Mastalerz, J. Rupp, A. Radinski, and R. Sakurovs Project Description Carbon dioxide emissions from anthropogenic sources are frequently directly linked to the rising level of atmospheric CO 2 and to global warming. Carbon capture and sequestration in geological formations is a proposed measure for arresting the rising concentration of atmospheric carbon dioxide. Saline aquifers, depleted oil and gas reservoirs, as well as unmineable coal seams are top contenders for geological storage, based on their estimated storage capacity, geographical extent, and geological and engineering considerations. However, the lack of knowledge of the molecular mobility under confinement and molecule-surface interactions between greenhouse gases and natural porous media results in generally unpredictable sorption kinetics and total sorption capacity for injected fluids and therefore constitutes a barrier to the deployment of this technology. In order to circumvent this barrier, we have recently performed proof-of-principle experiments and demonstrated the exceptional potential of the small-angle neutron scattering (SANS and USANS) technique to provide unique, pore-size-specific insights into the mechanisms of CO 2 sorption in coals and to characterize the density and volume of the sorbed CO 2 , factors that are key to determining efficacy of potential sequestration reservoirs. We have conducted systematic fundamental studies of the fluid-surface interactions and modification of the structure and the molecular mobility of CO 2 and CH 4 in coals, shales, and sandstones at temperatures and pressures similar to natural underground conditions. In the year 2010 we applied SANS and quasi-elastic neutron scattering (QENS) techniques to investigate the phase behavior and dynamics of bulk and confined fluids in artificial porous materials as well as in 12 coals from R. Sakurovs’ collection at elevated pressure. In the year 2011 we intend to complete SANS/USANS experiments on remaining coals from Sakurovs’ collection (August–October 2010). We are going to finalize data reduction and interpretation, perform theoretical evaluation of the obtained results, write and submit papers, and present the results at conferences and meetings. Mission Relevance This research is relevant to the Core Research Activities in Geosciences research (Chemical Sciences, Geosciences, and Biosciences Division) and Neutron and X-ray Scattering (Materials Sciences and Engineering Division) within the DOE Office of Basic Energy Sciences. It supports the President's clean coal initiative “to advance technologies that can help meet the nation's growing demand for electricity while simultaneously providing a secure and low-cost energy source and protecting the environment.” The practical implications of this work may also be of a great value to select projects within the Office of Fossil Energy’s carbon sequestration research portfolio. This study will help to understand the reasons of variable CO 2 injectivity at different storage sites observed during the field tests. The ability to predict the effectiveness of CO 2 sequestration is important for economically viable sequestration practices which may contribute in the reduction of the greenhouse emissions and thus improve environmental quality in the USA and elsewhere. 48
Director’s R&D Fund— Neutron Sciences Results and Accomplishments A new method of the SANS and USANS data analysis and interpretation was developed. The method makes it possible for the first time to evaluate the volume fraction of pores inaccessible to a particular greenhouse gas as a function of pore size. This information is invaluable for more accurate estimation of the sorption capacity of CO 2 in a particular coal seam and appropriate modification of the existing calculation models. This method was applied to investigate total and closed porosity in coal samples obtained from a seam (Tanquary site) into which CO 2 has been injected during a field-scale operation in Illinois as a part of the DOE-sponsored Illinois Basin Partnership. SANS/USANS experiments with these samples saturated with CO 2 and methane over a range of pressures and temperatures were conducted. Similar experiments were conducted using 12 samples out of a collection of 20 various coals which were obtained from R. Sakurovs (CSIRO, Australia). First high-pressure Quasi-Elastic Neutron Scattering (QENS) experiment on the Backscattering Spectrometer (BASIS) at the Spallation Neutron Source (SNS) was conducted in June 2009. The data on diffusion and residence time of CH 4 molecules in carbon aerogel were obtained and analyzed using complementary SANS data on the phase behavior and adsorption of methane in same aerogel sample. The data revealed strong suppression of the methane molecule mobility due to liquefaction of methane gas in small pores of aerogel. Recent QENS experiments on the methane mobility in confined CO 2 +CH 4 mixtures (May 2010) have shown that replacement of the adsorbed methane by CO 2 starts to occur at an unexpectedly low CO 2 pressure on the order of 25 bar. This result can be understood based on SANS studies of the methane adsorption from CO 2 +CH 4 mixtures. Information Shared Chathoth, S. M., E. Mamontov, Y. B. Melnichenko, and M. Zamponi. 2010. “Diffusion and adsorption of methane confined in nano-porous carbon aerogel: A combined quasi-elastic and small-angle neutron scattering study.” Micropor. Mesopor. Mat. 132, 148. Sakurovs, R., A. P. Radlinski, and Y. B. Melnichenko. 2009. “Stability of the bituminous coal microstructure upon exposure to high pressures of helium.” Energy & Fuels 23, 5022. 05246 Neutron Scattering and Osmotic Stress to Study Intrinsically Disordered Proteins Christopher Stanley, Erica Rowe, Hugh O’Neill, and Valerie Berthelier Project Description Proper protein function relies on interactions that create correctly folded and assembled structures while still maintaining the flexibility required for their activity. Intrinsically disordered proteins (IDPs) are a special class that best exemplifies the need for structural flexibility. These proteins possess either an unstructured domain or are fully disordered until recognizing a target molecule, upon which a synergistic effect from folding and binding occurs. Exactly how this mechanism imparts specificity in IDPs is poorly understood, and structural characterization remains difficult since they are not amenable to crystallization. We propose using small-angle neutron scattering (SANS) combined with osmotic stress to directly investigate the link between structure and thermodynamics for IDP conformational changes and interactions. The osmotic stress created by an added osmolyte modulates biomolecular transitions and thereby allows the associated hydration and energetics to be probed. The advantage of SANS is that the 49
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FY2010 - Oak Ridge National Laboratory

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