THERMAL SCIENCE
International Scientific Journal
EVALUATION OF THE DIFFUSIVE TORTUOSITY BY ANALYZING THE MOLECULAR THERMAL MOTION DISPLACEMENT
ABSTRACT
Molecular thermal motion is a very meaningful process. Plenty of useful information can be extracted from molecular travel displacement. In this paper, a kerogen model with a random and complex pore network is constructed. Based on the molecular thermal motion process, the diffusive tortuosity caused by the confined pore network is investigated by the molecular dynamics simulations. The influence of thermodynamic parameters on the diffusive tortuosity is carefully studied. The results showed that the diffusive tortuosity ranges from 1.57 to 2.70 depending on the pressure. However, with the variation of temperature and porosity, the diffusive tortuosity has a little change, mainly distributed from 1.79 to 1.95. The thermal diffusive tortuosity of the complex pore network is successfully calculated by analyzing molecular thermal motion property.
KEYWORDS
PAPER SUBMITTED: 2018-07-07
PAPER REVISED: 2018-09-24
PAPER ACCEPTED: 2019-02-13
PUBLISHED ONLINE: 2019-05-26
THERMAL SCIENCE YEAR
2019, VOLUME
23, ISSUE
Issue 3, PAGES [1433 - 1440]
- Kulasinski, K., et al., Quantification of Nanopore Networks: Application to Amorphous Polymers, The Journal of Physical Chemistry C, 120 (2016), 49, pp. 28144-28151
- Fleury, M., et al., Characterization of Shales Using T1-T2 NMR Maps, Journal of Petroleum Science and Engineering, 137 (2016), pp. 55-62
- Bousige, C., et al., Realistic Molecular Model of Kerogen's Nanostructure, Nature materials, 15 (2016), 5, pp. 576-582
- Chen, L., et al., Nanoscale Simulation of Shale Transport Properties Using the Lattice Boltzmann Method: Permeability and Diffusivity, Scientific reports, 5 (2015), Article ID 8089
- Yang, X.J., et al., Fundamental Solutions of the General Fractional-order Diffusion Equations, Mathematical Methods in the Applied Sciences, 41 (2018), pp. 9312-9320
- Yang, X.J., et al., A New Fractional Operator of Variable Order: Application in the Description of Anomalous Diffusion. Physica A: Statistical Mechanics and its Applications. 481(2017), pp. 276-283
- Elwinger, F., et al., Diffusive Transport in Pores. Tortuosity and Molecular Interaction with the Pore Wall, The Journal of Physical Chemistry C, 121 (2017), 25, pp. 13757-13764
- Mueller, R., et al., The Origin of a large Apparent Tortuosity Factor for the Knudsen Diffusion inside Monoliths of a Samaria-alumina Aerogel Catalyst: a Diffusion NMR Study, Physical chemistry chemical physics, 17 (2015), 41, pp. 27481-27487
- Hu. H., et al., Detailed Study on Self- and Multicomponent Diffusion of CO2 -CH4 Gas Mixture in Coal by Molecular Simulation, Fuel, 187 (2017), pp. 220-228
- Ungerer, P., et al., Molecular Modeling of the Volumetric and Thermodynamic Properties of Kerogen: Influence of Organic Type and Maturity, Energy & Fuels, 29 (2015), 1, pp. 91-105
- Ho, T.A., et al., Nanostructural Control of Methane Release in Kerogen and Its Implications to Wellbore Production Decline, Scientific reports, 6 (2016), Article ID 28053
- Kazemi, M., et al., Non-equilibrium Molecular Dynamics Simulation of Gas Flow in Organic Nanochannels, Journal of Natural Gas Science and Engineering, 33 (2016), pp. 1087-1094
- Lavenson, D.M., et al., Effective Diffusivities of BSA in Cellulosic Fiber Beds Measured with Magnetic Resonance Imaging, Cellulose, 19 (2012), 4, pp. 1085-1095
- Zhou, B., et al., Novel Molecular Simulation Process Design of Adsorption in Realistic Shale Kerogen Spherical Pores, Fuel, 180 (2016), pp. 718-726
- Chen, H., Z. et al., Quantifying the Directional Connectivity of Rock Constituents and Its Impact on Electrical Resistivity of Organic-rich Mudrocks, Mathematical Geosciences, 48 (2015), 3, pp. 285-303
- Bhatia, S.K., et al., Some Pitfalls in the Use of the Knudsen Equation in Modelling Diffusion in Nanoporous Materials, Chemical Engineering Science, 66 (2011), 3, pp. 284-293
