Comparison of proton field-cycling relaxometry and molecular dynamics simulations for proton-water surface dynamics in cement-based materials

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. (C) 2006 Elsevier Ltd. All tights reserved.