Study the Effect of Inhibitors on Hydrate Formation Kinetics by Molecular Dynamics simulation

In this work, the kinetic effect of three amino acids, glycine, alanine and serine on methane hydrate formation is studied. Molecular dynamics simulation (MD) of structure I hydrate is done for both pure water and amino acid solution (less than 1wt%). The aim of this work is to study the structural and dynamical properties of pure hydrate and inhibited systems, then compare them with each other. For this reason, three parameters including potential energy, radial distribution function (RDF), and mean square displacement (MSD) are calculated by MD simulation. All results show that these three amino acids have inhibitor role for methane hydrate, and according to the data, the order of inhibition is serine > glycine > alanine.)

کلیدواژه ها:

Methane hydrate ، Molecular dynamic simulation ، Amino acid ، Inhibitor ، Kinetic