Paper Info
Title
Modeling the interactions between poly(n-vinylpyrrolidone) and gas hydrates: factors involved in suppressing and accelerating hydrate growth
Abstract
Gas hydrates represent both a bane and a potential boon to the oil and gas industry, and considerable research into hydrate formation has been undertaken. We have recently developed a multi-threaded version of a Monte Carlo crystal growth algorithm and applied it to simulate the growth of large structure II gas hydrates. This algorithm allows for the introduction of non-crystal molecules during simulations to study their effects on crystal growth rates and morphologies. Here, we report on our initial simulations of hydrate growth in the presence of poly(N-vinylpyrrolidone) (PVP). We have surveyed the PVP-hydrate interaction space by performing numerous simulations, each with a unique PVP-hydrate docking orientation. This survey produced a broad range of hydrate growth rates, ranging from almost complete suppression through to significant growth enhancement. The effect that PVP has on gas incorporation at crystal surfaces appears to be critical for differentiating between crystal growth inhibition and enhancement.
Year
DOI
Venue
2009
10.1007/978-3-642-12659-8_10
HPCS
Keywords
Field
DocType
crystal surface,gas hydrate,significant growth enhancement,hydrate growth,monte carlo crystal growth,gas incorporation,ii gas hydrate,hydrate growth rate,crystal growth inhibition,crystal growth rate,numerical simulation,crystal growth,parallel computing,monte carlo simulations,gas hydrates,oil and gas industry,monte carlo
Chemical physics,Monte Carlo method,Crystal growth,Clathrate hydrate,Hydrate,Molecule,Computer science,Parallel computing,N-Vinylpyrrolidone
Conference
Volume
ISSN
ISBN
5976
0302-9743
3-642-12658-8
Citations 
PageRank 
References 
0
0.34
1
Authors
4
Name
Order
Citations
PageRank
Brent Wathen100.34
Peter Kwan200.68
Zongchao Jia300.34
Virginia K. Walker400.34