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Molecular mechanism of adsorption/desorption hysteresis:dynamics of shale gas in nanopores

Science China(Physics,Mechanics & Astronomy) 2017年第1期60卷 24-31页

作者： Jie Chen FengChao Wang He Liu HengAn Wu CAS Key Laboratory of Mechanical Behavior and Design of Materials Department of Modern Mechanics University of Science and Technology of China Hefei 230027 China PetroChina Research Institute of Petroleum Exploration & Development Beijing 100083 China

Understanding the adsorption and desorption behavior of methane has received considerable attention since it is one of the crucial aspects of the exploitation of shale ***,obvious hysteresis is observed from the ideally reversible physical sorption of methane in some ***,the underlying mechanism still remains an open *** this study,Monte Carlo(MC) and molecular dynamics(MD) simulations are carried out to explore the molecular mechanisms of adsorption/desorption ***,a detailed analysis about the capillary condensation of methane in micropores is *** influence of pore width,surface strength,and temperature on the hysteresis loop is further *** is found that a disappearance of hysteresis occurs above a temperature *** with the phase diagram of methane,we explicitly point out that capillary condensation is inapplicable for the hysteresis of shale gas under normal temperature ***,a new mechanism,variation of pore throat size,is proposed and *** methane to pass through the throat,a certain energy is required due to the repulsive *** required energy increases with shrinkage of the throat,such that the originally adsorbed methane cannot escape through the narrowed *** trapped methane molecules account for the ***,the hysteresis loop is found to increase with the increasing pressure and decreasing *** suggest that the variation of pore throat size can explain the adsorption/desorption hysteresis of shale *** conclusions and findings are of great significance for guiding the efficient exploitation of shale gas.

关键词： shale gas adsorption/desorption hysteresis numerical simulation capillary condensation pore throat

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Measuring absolute adsorption in porous rocks using oscillatory motions of a spring-mass system

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Chinese Journal of Chemical Engineering 2022年第4期35卷 131-139页

作者： Younki Cho Ryan Lo Keerthana Krishnan Xiaolong Yin Hossein Kazemi Petroleum Engineering Colorado School of MinesGoldenCO 80401USA

We present an oscillation-based method to measure absolute adsorption,or total gas,contained in porous rocks without and with excess *** conducted with a macroporous Berea sandstone sample in nitrogen where excess adsorption is negligible show that absolute adsorption can be obtained after the added mass of co-accelerated gas outside the sample is *** experiments conducted in propane with a crushed Niobrara shale sample with micro-and mesopores,absolute adsorption included significant excess *** subtracting both the added mass outside the sample and the gas that would be in the sample assuming no excess adsorption existed,estimated excess adsorption of propane is in good agreement with that projected based on capillary condensation of propane in the volume of mesopores.

关键词： Adsorption Porous media Shale capillary condensation Oscillation

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Influence of dielectrics with light absorption on the photonic bandgap of porous alumina photonic crystals

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Nano Research 2016年第3期9卷 703-712页

作者： Guoliang Shang Guangtao Fei Yue Li Lide Zhang Key Laboratory of Materials Physics and Anhui Key Laboratory of Nanomaterials and Nanostructures Institute of Solid State PhysicsHefei Institutes of Physical Science Chinese Academy of Sciences P. O. Box 1129 Hefei 230031 China

In this work, the influences of dielectrics with light absorption on the photonic bandgaps （PBGs） of porous alumina photonic crystals （PCs） were studied. Transmittance spectra of porous alumina PCs adsorbing ethanol showed that all the PBGs positions red-shifted; however, the transmittance of the PBG bottom showed different trends when the PBGs were located in different wavelength regions. In the near infrared region, liquid ethanol has strong light absorption, and, with the increase in adsorption, the PBG bottom transmittance of porous alumina PCs first increased and then decreased. However, in the visible light region, liquid ethanol has little light absorption, and thus, with the increase in adsorption, the PBG bottom transmittance of porous alumina PCs increased gradually all the time. Simulated results were consistent with the experimental results. The capillary condensation of organic vapors in the pores of porous alumina accounted for the change in the PBG bottom transmittance. The non- negligible light absorption of the organic vapors was the cause of the decrease in the transmittance. The results for porous alumina PC adsorbing methanol, acetone, and toluene further confirmed the influences of light absorption on the PBG bottomed transmittance.

关键词： photonic crystals porous materials light-mater interaction capillary condensation nanotechnology

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Vapor Sensing Theoretical Study on Optical Microcavities

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Semiconductor Photonics and Technology 2007年第3期13卷 200-205页

作者： ZHANG Le-xin ZHANG Ran LI Zhi-quan State Key Laboratory of Metastable Materials Science and Technology College of Materials Science and Engineering College of Electrical Engineering Yanshan University Qinhuangdao 066004 CHN

When the organic vapors absorbed to the surface of porous silicon(PS), capillary condensation takes place due to the porous structure of the PS layer, accordingly resulting in the effective refractive index changing. For PS multi-layer microcavities, the different resonant peaks shift in the reflectivity spectrum of porous silicon microcavities(PSMs). The optical sensing model is set up by applying Bruggeman effective medium approximation theory, capillary condensation process and transfer matrix theoretically analytical method of one-dimensional photonic crystals. At the same time, comprehensively researched on are the sensing characteristics of PSMs which are exposed to give concentration organic vapors. At last, made is the theoretical simulation for sensing model of the PSMs in case of saturation by using computer numerical calculation, and found is the linearity relation between the refractive index of organic solvent and the peak-shift. At the same time deduced is the peak-shift as a function of the concentration of ethanol vapors.

关键词： PSMs vapor sensing Bruggeman effective medium approximation theory capillary condensation transfer matrix numerical calculation

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