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

Cement and Concrete Research

Volumn 37, Issue 3, 2007, Pages 348-350

  Korb, J P ^a   McDonald, P J ^b   Monteilhet, L ^a   Kalinichev, A G ^c   Kirkpatrick, R J ^c  

^a LABORATOIRE DE PHYSIQUE DE LA MATIÈRE CONDENSÉE   (France)

^b UNIVERSITY OF SURREY   (United Kingdom)

^c UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

Author keywords

Cement; Hydrated cement; Molecular dynamics simulations; NMR relaxation; Water; Water at surfaces; Water dynamics

Indexed keywords

COMPUTER SIMULATION; DIFFUSION IN LIQUIDS; MAGNETIC FIELD EFFECTS; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE; RELAXATION PROCESSES; WATER ANALYSIS;

HYDRATED CEMENT; MOLECULAR DYNAMICS SIMULATIONS; NMR RELAXATION; WATER DYNAMICS;

CEMENTS;

EID: 33847044425     PISSN: 00088846     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cemconres.2006.02.009     Document Type: Article

References (6)

1. Korb J.-P., Monteilhet L., McDonald P.J., and Mitchell J. Microstructure and texture of hydrated cement-based materials: a proton field-cycling relaxometry approach. Cement and Concrete Research 37 (2007) 295-302
2. A.G. Kalinichev, J. Wang, R.J. Kirkpatrick, submitted for publication, Molecular dynamics simulations of water structure, dynamics and energetics on mineral surfaces, Cement and Concrete Research.
3. Merlino S., Bonaccorsi E., and Armbruster T. Tobermorites: their real structure and order-disorder (OD) character. American Mineralogist 84 (1999) 1613-1621
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6. Kalinichev A.G., and Kirkpatrick R.J. Molecular dynamics modeling of chloride binding to the surfaces of Ca hydroxide, hydrated Ca-aluminate and Ca-silicate phases. Chemistry of Materials 14 (2002) 3539-3549