Configuration-biased Monte Carlo simulations of poly(vinylpyrrolidone) at a gas hydrate crystal surface

Annals of the New York Academy of Sciences

Volumn 912, Issue , 2000, Pages 658-668

  Carver, Tim J ^a,b   Drew, Michael G B ^a   Rodger, P Mark ^a,c  

^a UNIVERSITY OF READING   (United Kingdom)

^b UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^c UNIVERSITY OF WARWICK   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

1 VINYL 2 PYRROLIDINONE; MONOMER; POLYMER; POVIDONE; WATER;

ADSORPTION; CONFERENCE PAPER; CRYSTAL; GAS; MOLECULAR WEIGHT; PARTICLE SIZE; SIMULATION; SURFACE PROPERTY; SYSTEM ANALYSIS;

EID: 0033909392     PISSN: 00778923     EISSN: None     Source Type: Book Series    
DOI: 10.1111/j.1749-6632.2000.tb06821.x     Document Type: Conference Paper

References (12)

1. 1. CARVER, T.J., M.G.B. DREW & P.M. RODGER. 1996. Characterisation of the {111} growth planes of a type II gas hydrate and study of the mechanism of kinetic inhibition by poly(vinylpyrrolidone). J. Chem. Soc. Faraday Trans. 92: 5029-5034.
2. 2. CARVER, T.J., M.G.B. DREW & P.M. RODGER. 1995. Inhibition of crystal growth in methane hydrate. J. Chem. Soc. Faraday Trans. 91: 3449-3460.
3. 3. CARVER, T.J., M.G.B. DREW & P.M. RODGER. 1999. The structure of aqueous methylpyrrolidone solutions. Phys. Chem. Chem. Phys. 1: 1807-1816.
4. 4. KVAMME, B., G. HUSEBY & O.K. FORRISDAHL. 1997. Molecular dynamics simulations of PVP kinetic inhibitor in liquid water and hydrate/liquid water systems. Molec. Phys. 90:979-991.
5. 5. DAY, J.C. & I.D. ROBB. 1980. Conformation of adsorbed poly(vinylpyrrolidone) studied by infrared spectroscopy. Polymer 21: 408-412.
6. 6. FRENKEL, D. & B. SMIT. 1996. Understanding Molecular Simulation. Academic Press, San Diego.
7. 7. CARVER, T.J. 1997. A Study of the Kinetic Inhibition of Natural Gas Hydrates by Polyvinylpyrrolidone. Ph.D. Thesis, University of Reading.
8. 8. BROOKS, B.R., R.E. BRUCCOLERI, B.D. OLAFSON, D.J. STATES, S. SWAMINATHAN & M. KARPLUS. 1983. CHARMm - a program for macromolecular energy, minimization, and dynamics calculations. J. Comp. Chem. 4: 187-217.
9. 9. MOMANY, F.A. & R. RONE. 1992. Validation of the general-purpose Quanta(r)3.2/ CHARMm(r) force-field. J. Comp. Chem. 13: 888-900.
10. 10. BERENDSEN, H.J.C., J.P.M. POSTMA, W.F. VAN GUNSTEREN & J. HERMANS. 1981. In Intermolecular Forces. B. Pullman, Ed.: 331. Reidel, Dordrecht.
11. 11. CHENG, H.N., T.E. SMITH & D.M. VITUS. 1981. Tacticity of poly(n-vinyl pyrrolidone). Polymer Lett. 19: 29-31.
12. 12. EBDON, J.R., T.N. HUCKERBY & E. SENOGLES. 1983. The influence of polymerization conditions on the tacticity of poly(n-vinyl-2-pyrrolidone). Polymer 24: 339-343.