Dataset Information

Methane storage in nanoporous material at supercritical temperature over a wide range of pressures.

ABSTRACT: The methane storage behavior in nanoporous material is significantly different from that of a bulk phase, and has a fundamental role in methane extraction from shale and its storage for vehicular applications. Here we show that the behavior and mechanisms of the methane storage are mainly dominated by the ratio of the interaction between methane molecules and nanopores walls to the methane intermolecular interaction, and a geometric constraint. By linking the macroscopic properties of the methane storage to the microscopic properties of a system of methane molecules-nanopores walls, we develop an equation of state for methane at supercritical temperature over a wide range of pressures. Molecular dynamic simulation data demonstrates that this equation is able to relate very well the methane storage behavior with each of the key physical parameters, including a pore size and shape and wall chemistry and roughness. Moreover, this equation only requires one fitted parameter, and is simple, reliable and powerful in application.

SUBMITTER: Wu K

PROVIDER: S-EPMC5024135 | biostudies-literature | 2016 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Publications

Methane storage in nanoporous material at supercritical temperature over a wide range of pressures.

Wu Keliu K Chen Zhangxin Z Li Xiangfang X Dong Xiaohu X

Scientific reports 20160915

The methane storage behavior in nanoporous material is significantly different from that of a bulk phase, and has a fundamental role in methane extraction from shale and its storage for vehicular applications. Here we show that the behavior and mechanisms of the methane storage are mainly dominated by the ratio of the interaction between methane molecules and nanopores walls to the methane intermolecular interaction, and a geometric constraint. By linking the macroscopic properties of the methan ...[more]

PMID: 27628747

Similar Datasets

Project description:Cyclohexene is an important intermediate during the combustion process of hydrocarbon and oxygenated fuels. In view of the lack of study on the combustion of cyclohexene in air, an experimental and modeling study is performed to investigate the chemistry of cyclohexene-air mixtures under a wide temperature range. The shock tube experiments are conducted at pressures of 2 and 10 atm with equivalence ratios of 0.5, 1.0 and 2.0 to determine the ignition delay times. The ignition data under 10 atm cover a wide temperature range varying from a low temperature of 770 K to a high temperature of 1222 K. No typical negative-temperature-coefficient is observed, but the ignition at low temperatures is shorter than the extrapolation at high temperatures. A detailed kinetic model of cyclohexene oxidation is proposed based on the low temperature mechanism of 1,3-cyclohexadiene and the existing high temperature mechanism of cyclohexene. The developed model reproduces the ignition delay times in air well, but it over predicts the ignition delays in argon conditions at higher temperatures. Sensitivity analyses under different temperatures and equivalence ratios are carried out to identify the key reactions affecting ignition. The reactions of H + O2 = O + OH and hydrogen abstraction reaction of cyclohexene with oxygen (CYHEXEN + O2 = CYHEXEN-3J + HO2) explain the change of ignition delay time of cyclohexene with equivalence ratios. Flux analysis gives the change of main reaction pathways under wide temperatures and different pressures. The retro-Diels-Alder reaction as the most important consumption channel of cyclohexene at the pressure of 2 atm and temperature of 1350 K is greatly suppressed when the pressure is increased to 10 atm, while the hydrogen abstraction reaction becomes the main consumption channel of cyclohexene at the high pressure. The proposed kinetic model for cyclohexene oxidation can be used to develop models of hydrocarbon and oxygenated fuels.

Dataset Information

Methane storage in nanoporous material at supercritical temperature over a wide range of pressures.

Publications

Methane storage in nanoporous material at supercritical temperature over a wide range of pressures.

Similar Datasets

OmicsDI is part of the ELIXIR infrastructure

Tweets