نمایش همه 3 نتیجه
Investigation of Six Imidazolium-Based Ionic Liquids as Thermo-Kinetic Inhibitors for Methane Hydrate by Molecular Dynamics Simulation
The thermo-kinetic iرایگان!
The thermo-kinetic inhibition mechanism of six imidazolium-based ionic liquids (ILs) on methane clathrate hydrate formation and growth is studied in this work using classical molecular dynamics (MD) simulation. The ionic liquids investigated include 1-(2,3-dihydroxypropyl)-3-methylimidazoliumbis(fluorosulfonyl)imide ([C3(OH)2mim][f2N]), 1-(2-hydroxyethyl)-3-methylimidazolium bis(fluorosulfonyl)imide ([C2OHmim][f2N]), 1- ethyl-3-methylimidazolium tetrafluoroborate ([C2mim][BF4]), 1-butyl-3-methylimidazolium tetrafluoroborate ([C4mim][BF4]), 1-butyl-3-methylimidazolium acetate ([C4mim][OAc]) and 1-ethyl-3-methylimidazolium ethylsulfate ([C2mim][EtSO4]). Simulations showed that [C2OHmim][f2N] and [C3(OH)2mim][f2N] are strongly hydrated compared to other ILs because of hydrogen bonding between OH groups of the cation and water molecules. They also exhibit high diffusion rates towards crystal surface and bond to it through strong intermolecular interactions. As a result, these two ILs are stronger thermo-kinetic inhibitors for formation and growth of methane hydrates compared to other ILs studied in this work as well as conventional inhibitors like methanol and NaCl. The simulations also revealed that cations of [C3(OH)2mim][f2N] and [C2OHmim][f2N] show that the presence of ions near the hydrate crystal causes hindrance for water and guest molecules adsorbing on the hydrate surface, which inhibits the growth of hydrate crystals. In addition, it is shown that [C3(OH)2mim][f2N] and [C2OHmim][f2N] are more likely to inhibit hydrate formation
Kinetic investigation of methane hydrate in the presence of Imidazolium Based Ionic Liquid solutions
Methane hydrate formرایگان!
Methane hydrate formation experiments in the presence of the various imidazolilium based ionic liquid solutions with 0.5wt% concentration including 1-buthyl-3-methylimidazolium methyl sulfate ([BMIM][MeSO4]) , 1-ethyl-3-methylimidazolium hydrogen sulfate ([EMIM][HSO4]), 1- ethyl-3-methylimidazolium ethyl sulfate ([EMIM][EtSO4]), 1-butyl-3-methylimidazolium tetrafluoroborate ([BMIM][BF4]) and 1-(2- hydroxyethyl)-3-methylimidazolium tetrafluoroborate ([OH-EMIM][BF4]) were conducted in a high pressure reactor at the same temperature. The induction time, gas consumption and temperature were measured.The results of experiments were indicated that [EMIM][EtSO4] and [BMIM][MeSO4] had the kinetic inhibiton effects meanwhile the other ionic liquids could be able to apply as the kinetic promoters
Prediction of methane hydrate equilibrium pressurs in the presence of aqueous Imidazolium-based ionic liquid solutions using Electrolyte Cubic Square Well Equation of State
Electrolyte Cubic Sqرایگان!
Electrolyte Cubic Square-Well Equation of State, eCSW EoS, based upon the Helmholtz free energy consists of the one non-electrolyte term and the two electrolyte terms. The non-electrolyte term is cubic square-well equation of state (CSW EoS) and the two electrolyte contributions consist of a Born energy and the mean spherical approximation terms. In this work, eCSW EoS is coupled with the van der Waals-Platteuw model and applied to predict the hydrate dissociation pressures of the methane+ ionic liquid+ water systems. Ferthermore, the adjustable paramers of the imidazolium based ionic liquid solutions calculated by using experimental data in litreture.A good agreement between the results of the model with the experimental data indicates the reliability of this model to predict the hydrate equilibrium conditions