Dai, Caili published the artcileEffects of structural properties of alcohol molecules on decomposition of natural gas hydrates: A molecular dynamics study, Quality Control of 584-02-1, the main research area is effect structural property alc mol decomposition natural gas hydrate.
Natural gas hydrates, which are mainly distributed at the sea floor and in permafrost regions, are expected as a future but untapped energy resource. Design of effective chems. for promotion of the gas hydrate decomposition is one solution of achieving sustained and steady exploitation of natural gas hydrate. Among possible additives, alcs. are commonly used. However, the effectiveness is limited and few studies have been conducted to understand the effects of mol. structure of alcs. on the hydrate decomposition Here, with the aid of mol. dynamic simulations, we systematically investigate the effects of chain length, hydroxyl position and hydroxyl number of alcs. on the decomposition of methane hydrates. Combining variations of potential energy, radial distribution functions, and mean square displacement, the influences of alc. structural properties on the hydrate decomposition are evaluated. Simulation results show that 1-pentanol, 2-pentanol and 3-pentanol are added, methane hydrates decompose completely at 1420 ps, 1300 ps and 1500 ps resp. Alc. with short branched chains is conducive to promoting the decomposition of methane hydrate. However, adding methanol, ethanol, 1-propanol, 1,2-propanediol and glycerol, methane hydrates decompose completely at 1530 ps, 1650 ps,1700 ps, 1500 ps and 900 ps resp. and methane hydrate can’t completely decompose at 2000 ps adding 1-butanol. The result indicates that shortening the chain length of alcs. and increasing the hydroxyl number of alcs. are beneficial to improving the promotion effect on methane hydrate decomposition Our results thus provide useful guidelines for future design of alc.-based mols. for promoting gas hydrate decomposition
Fuel published new progress about Distribution function. 584-02-1 belongs to class alcohols-buliding-blocks, name is 3-Pentanol, and the molecular formula is C5H12O, Quality Control of 584-02-1.
Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts