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Randall Cygan
Randall Cygan
Senior Scientist, Retired, Sandia National Laboratories
Verified email at tamu.edu - Homepage
Title
Cited by
Cited by
Year
Molecular models of hydroxide, oxyhydroxide, and clay phases and the development of a general force field
RT Cygan, JJ Liang, AG Kalinichev
The Journal of Physical Chemistry B 108 (4), 1255-1266, 2004
27772004
Molecular controls on kaolinite surface charge
PV Brady, RT Cygan, KL Nagy
Journal of colloid and interface science 183 (2), 356-364, 1996
3941996
Molecular models and simulations of layered materials
RT Cygan, JA Greathouse, H Heinz, AG Kalinichev
Journal of Materials Chemistry 19 (17), 2470-2481, 2009
2952009
Molecular simulation of carbon dioxide capture by montmorillonite using an accurate and flexible force field
RT Cygan, VN Romanov, EM Myshakin
The Journal of Physical Chemistry C 116 (24), 13079-13091, 2012
2842012
Structure, energetics, and dynamics of water adsorbed on the muscovite (001) surface: A molecular dynamics simulation
J Wang, AG Kalinichev, RJ Kirkpatrick, RT Cygan
The Journal of Physical Chemistry B 109 (33), 15893-15905, 2005
2582005
Swelling properties of montmorillonite and beidellite clay minerals from molecular simulation: comparison of temperature, interlayer cation, and charge location effects
SL Teich-McGoldrick, JA Greathouse, CF Jove-Colon, RT Cygan
The Journal of Physical Chemistry C 119 (36), 20880-20891, 2015
2202015
Self-diffusion of magnesium in garnet at 750 degrees to 900 degrees C
RT Cygan, AC Lasaga
American Journal of Science 285 (4), 328-350, 1985
2151985
Molecular dynamics modeling of ion adsorption to the basal surfaces of kaolinite
IF Vasconcelos, BA Bunker, RT Cygan
The Journal of Physical Chemistry C 111 (18), 6753-6762, 2007
2072007
Water structure and aqueous uranyl (VI) adsorption equilibria onto external surfaces of beidellite, montmorillonite, and pyrophyllite: results from molecular simulations
JA Greathouse, RT Cygan
Environmental science & technology 40 (12), 3865-3871, 2006
1782006
Molecular dynamics simulation of uranyl (VI) adsorption equilibria onto an external montmorillonite surface
JA Greathouse, RT Cygan
Physical Chemistry Chemical Physics 7 (20), 3580-3586, 2005
1782005
Ab initio determination of edge surface structures for dioctahedral 2: 1 phyllosilicates: Implications for acid-base reactivity
BR Bickmore, KM Rosso, KL Nagy, RT Cygan, CJ Tadanier
Clays and Clay Minerals 51 (4), 359-371, 2003
1662003
133Cs NMR study of cesium on the surfaces of kaolinite and illite
Y Kim, RJ Kirkpatrick, RT Cygan
Geochimica et Cosmochimica Acta 60 (21), 4059-4074, 1996
1561996
133Cs NMR and XPS investigation of cesium adsorbed on clay minerals and related phases
Y Kim, RT Cygan, RJ Kirkpatrick
Geochimica et Cosmochimica Acta 60 (6), 1041-1052, 1996
1561996
Molecular simulation of carbon dioxide, brine, and clay mineral interactions and determination of contact angles
CM Tenney, RT Cygan
Environmental science & technology 48 (3), 2035-2042, 2014
1352014
Molecular models for the intercalation of methane hydrate complexes in montmorillonite clay
RT Cygan, S Guggenheim, AF Koster van Groos
The Journal of Physical Chemistry B 108 (39), 15141-15149, 2004
1332004
A shell model for the simulation of rhombohedral carbonate minerals and their point defects
DK Fisler, JD Gale, RT Cygan
American Mineralogist 85 (1), 217-224, 2000
1312000
Molecular dynamics simulations of carbon dioxide intercalation in hydrated Na-montmorillonite
EM Myshakin, WA Saidi, VN Romanov, RT Cygan, KD Jordan
The Journal of Physical Chemistry C 117 (21), 11028-11039, 2013
1292013
Molecular modeling in mineralogy and geochemistry
RT Cygan
Reviews in Mineralogy and Geochemistry 42, 1-36, 2001
1292001
Molecular modeling of the structure and dynamics of the interlayer and surface species of mixed-metal layered hydroxides: Chloride and water in hydrocalumite (Friedel’s salt)
AG Kalinichev, RJ Kirkpatrick, RT Cygan
American Mineralogist 85 (7-8), 1046-1052, 2000
1272000
The dissolution kinetics of mixed-cation orthosilicate minerals
HR Westrich, RT Cygan, WH Casey, C Zemitis, GW Arnold
American Journal of Science 293, 869-869, 1993
1211993
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Articles 1–20