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Comparison of proton field-cycling relaxometry and molecular dynamics simulations for proton-water surface dynamics in cement-based materials |
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| Authors: | J.-P. Korb P.J. McDonald A.G. Kalinichev |
| Affiliation: | a Laboratoire de Physique de la Matière Condensée, UMR 7643 du CNRS, Ecole Polytechnique, 91128 Palaiseau, France b School of Electronics and Physical Sciences, University of Surrey, Guilford, Surrey, GU2 7XH, UK c Department of Geology and ACBM Center, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA |
| Abstract: | Diffusion coefficients of water in hydrated cement pastes and mortars obtained from proton field cycling NMR spin lattice relaxation over three orders of magnitude in magnetic field strength are in good agreement with values from molecular dynamics simulations of water on the surface of tobermorite. The level of agreement from these two independent approaches provides mutual support for their validity. |
| Keywords: | Cement Hydrated cement Water Water at surfaces Water dynamics NMR relaxation Molecular dynamics simulations |
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