Jonathan P. Mathews

About:

Dr. Jonathan Mathews is a coal scientist and an ACS fellow. His research interests address the relationship between coal structure and behavior spanning all ranks and nearly all aspects of coal use. He is well known for the creation and use of atomistic representations of coal and char but also employs advanced analytical techniques to inform and constrain the models. It is capturing the structural diversity, in a meaningful way, that has aided improving the rationalization of behavior. He is active in coalbed methane research along with CO₂ sequestraion in coal. These investigations make use of image analysis and modeling for cleat structure and diversity, X-ray Computed Tomagraphy, and atomistic representations. He is also acitive in coal pyrolysis, coal combustion, oxy-fuel combustion, coal gasification, and coal liquefaction. He has extensive domestic (universities and National Labs) and international collaborations (China, England, South Africa, and Australia).

Publications:

Du, Y.; Wang, C.; Xin, H.; Mathews, J. P., Competitive or additive behavior for H2O and CO2 gasification of coal char? Exploration via simplistic atomistic simulation — Accepted. Carbon 2019.
Zhong, Q.; Mao, Q.; Xiao, J.; van Duin, A.; Mathews, J. P., ReaxFF simulations of petroleum coke sulfur removal mechanisms during pyrolysis and combustion Combustion and Flame 2018, 198, 146-157
Zhong, Q.; Mao, Q.; Xiao, J.; van Duin, A.; Mathews, J. P., Sulfur removal from petroleum coke during high-temperature pyrolysis. analysis from TG-MS data and ReaxFF simulations. Journal of Analytical and Applied Pyrolysis 2018, 132, 134-142
Zhong, Q.; Mao, Q.; Zhang, L.; Xiang, J.; Xiao, J.; Mathews, Structural features of Qingdao petroleum coke from HRTEM lattice fringes: Distributions of length, orientation, stacking, curvature, and a large-scale image-guided 3D atomistic representation, Carbon, 129 (2018) 790-802.
Abrahamson, J. P.; Singh, M.; Mathews, J. P.; Vander Wal, R. L., Pulsed laser annealing of carbon black. Carbon 2017, 124, (Supplement C), 380-390.
Song, Y.; Jiang, B.; Mathews, J. P.; Yan, G.; Li, F., Structural transformations and hydrocarbon generation of low-rank coal (vitrinite) during slow heating pyrolysis. Fuel Processing Technology 2017, 167, 535-544.
Mathews, J. P.; Campbell, Q. P.; Xu, H.; Halleck, P., Application of X-ray computed tomography to the study of coal. Fuel 2017, 209, 10-24.
Wang, C.; Huddle, T.; Huang, C.-H.; Zhu, W.; Vander Wal, R. L.; Lester, E.; Mathews, J. P., Improved quantification of curvature in high-resolution transmission electron microscopy lattice fringe micrographs of soots. Carbon 2017, 117, 174-181.
Coetzee, G. H.; Sakurovs, R.; Neomagus, H. W. J. P.; Everson, R.; Mathews, J. P.; Bunt, J. R., Particle size influence on the pore development of nanopores in coal gasification chars: from micron to millimeter particles. Carbon 2017, 112, 37-46.
Xu, H.; Tang, D.; Mathews, J. P.; Zhao, J.; Li, B.; Tao, S.; Li, S., A comparative evaluation of coal specific surface area by CO2 and N2 adsorption and its influence on CH4 adsorption capacity at different pore sizes. Fuel 2016, 183, 420-431
Zhao, J.; Xu, H.; Tang, D.; Mathews, J. P.; Li, S.; Tao, S., Coal seam porosity and fracture heterogeneity of macrolithotypes in the Hancheng Block, eastern margin, Ordos Basin, China. International Journal of Coal Geology 2016, 159, 18-29.
Zhao, J.; Xu, H.; Tang, D.; Mathews, J. P.; Li, S.; Tao, S., A comparative evaluation of coal specific surface area by CO2 and N2 adsorption and its influence on CH4 adsorption capacity at different pore sizes . Fuel 2016, 183, 420-431.
Xin, H.; Wang, C.; Louw, E.; Wang, D.; Mathews, J. P., Atomistic simulation of coal char isothermal oxy-fuel combustion: char reactivity and behavior. Fuel 2016, 182, 935-943.
Wang, C.; Huddle, T.; Lester, E. H.; Mathews, J. P., Quantifying curvature in HRTEM lattice fringe micrographs of coals. Energy and Fuels 2016, 30, 2694-2704.
Louw, E.; Mitchell, G. D.; Winans, R. E.; Mathews, J. P., Constitution of drop-tube generated coal chars from vitrinite-rich and inertinite-rich South African coals. Energy & Fuels 2016, 30, 112-120.
Huang, Y.; Cannon, F. S.; Guo, J.; Watson, J. K.; Mathews, J. P., Atomistic modeling insight into the structure of lignite-based activated carbon, and behavior of benzene sorption. RSC Advances 2016, 6, 56623-37.
Wang, C.; Watson, J. K.; Louw, E.; Mathews, J. P., A construction strategy for atomistic models of coal chars capturing stacking diversity and pore size distribution. Energy Fuels 2015, 29, 4814–4826.
Roberts, M. J.; Everson, R. C.; Neomagus, H. W. J. P.; Van Niekerk, D.; Mathews, J. P.; Branken, D. J., Influence of maceral composition on the structure, properties and behavior of chars derived from South African coals. Fuel 2015, 142, 9-20
Roberts, M. J.; Everson, R. C.; Domazetis, G.; Neomagus, H. W. J. P.; Jones, J. M.; Van Sittert, C. G. C. E.; Okolo, G. N.; Niekerk, D. V.; Mathews, J. P., Density functional theory molecular modelling and experimental particle kinetics for CO2–char gasification. Carbon 2015, 93, (0), 295-314.
Roberts, M. A.; Everson, R. C.; Neomagus, H. W. J. P.; Van Niekerk, D.; Okolo, G. N.; Mathews, J. P., The characterisation of slow-heated inertinite- and vitrinite-rich coals from the South African coalfields. Fuel 2015, 158, 591-601.
Okolo, G. N.; Neomagus, H. W. J. P.; Everson, R. C.; Roberts, M. J.; Bunt, J. R.; Sakurovs, R.; Mathews, J. P., Chemical-structural properties of South African bituminous coals: Insights from wide angle XRD-carbon fraction analysis, ATR-FTIR, solid state 13C NMR, and HRTEM techniques. Fuel 2015, 158, 779-792.
Mathews, J. P.; Burgess-Clifford, C.; Painter, P. C., The interactions of Illinois No. 6 bituminous coal with solvents: a review of solvent swelling and extraction literature. Energy Fuels 2015, 29, 1279-1294.
Kumar, H.; Elsworth, D.; Mathews, J. P.; Marone, C., Permeability evolution in sorbing media: analogies between organic-rich shale and coal. Geofluids 2015, 133, 695-704.
Kumar, H.; Elsworth, D.; Mathews, J. P., Permeability evolution of propped artificial fractures in coals on injection of CO2. Journal of Petroleum Science and Engineering 2015, 133, 695-704.
Huang, Y.; Cannon, F. S.; Watson, J. K.; Reznik, B.; Mathews, J. P., Activated carbon efficient atomistic model construction that depicts experimentally-determined characteristics. Carbon 2015, 83, 1-14.
Coetzee, S.; Neomagus, H. W. J. P.; Bunt, J. R.; Mathews, J. P.; Strydom, C. A.; Schobert, H. H., Reduction of caking propensity in large (mm sized) South African coal particles with potassium carbonate impregnation to expand fixed and fluidised bed gasification feedstock suitability. Energy & Fuels 2015, 29, (7), 4255–4263.
Coetzee, G. H.; Sakurovs, R.; Neomagus, H. W. J. P.; Morpeth, L.; Everson, R.; Mathews, J. P.; Bunt, J. R., Pore development during gasification of South African inertinite-rich chars evaluated using small angle X-ray scattering. Carbon 2015, 95, 250-260.
Tselev, A.; Ivanov, I. N.; Lavrik, N. V.; Belianinov, A.; Jesse, S.; Mathews, J. P.; Mitchell, G. D.; Kalinin, S. V., Mapping internal structure of coal by confocal micro-Raman spectroscopy and scanning microwave microscopy. Fuel 2014, 126, (15), 32-37.
Mathews, J. P.; Krishnamoorthy, V.; Louw, E.; Tchapda, A. H. N.; Castro-Marcano, F.; Karri, V.; Alexis, D. A.; Mitchell, G. D., A review of correlations of coal properties with elemental composition. Fuel Processing Technology 2014, 121, 104-113.
Kumar, H.; Elsworth, D.; Mathews, J. P.; Liu, J.; Pone, D., Effect of CO2 injection on heterogeneously permeable coalbed reservoirs. Fuel 2014, 135, 509-521.
Collins, L.; Tselev, A.; Jesse, S.; Okatan, M. B.; Proksch, R.; Mathews, J. P.; Mitchell, G. D.; Rodriguez, B. J.; Kalinin, S. V.; Ivanov, I. N., Breaking the limits of structural and mechanical imaging of the heterogeneous structure of coal macerals. Nanotechnology 2014, 25, (43), 435402.
Castro-Marcano, F.; Russo, M. F.; van Duin, A. C. T.; Mathews, J. P., Pyrolysis of a large-scale molecular model of Illinois No. 6 coal using the ReaxFF reactive force field. Journal of Analytical and Applied Pyrolysis 2014, 109, 79-89.
Cai, Y.; Liu, D.; Mathews, J. P.; Pan, Z.; Elsworth, D.; Yao, Y.; Li, J.; Guo, X., Permeability evolution in fractured coal - combining triaxial confinement with X-ray computed tomography, acoustic emission and ultrasonic techniques. International Journal of Coal Geology 2014, 122, 91-104.
Binner, E.; Lester, E.; Kingman, S.; Dodds, C.; Robinson, J.; Wu, T.; Wardle, P.; Mathews, J. P., A review of microwave coal processing. Journal of Microwave Power and Electromagnetic Energy 2014, 48, (1), 35-60.
Mathews, J. P.; Miller, B. G.; Song, C.; Schobert, H. H.; Botha, F.; Finkelman, R. B., The ebb and flow of U.S. coal research 1970-2010 with a focus on academic institutions. Fuel 2013, 105, 1-12.
Hattingh, B. B.; Everson, R. C.; Neomagus, H. W. J. P.; Bunt, J. R.; Van Niekerk, D.; Jordaan, J. H. L.; Mathews, J. P., Elucidation of the structural and molecular properties of typical South African coals. Energy and Fuels 2013, 27, 3161-3172.
Alvarez, Y. E.; Moreno, B. M.; Klein, M. T.; Watson, J. K.; Castro-Marcano, F.; Mathews, J. P., A novel simplification approach for large-scale structural models of coal: 3D molecules to 2D lattices. 3. Reactive lattice simulations. Energy and Fuels 2013, 27, 2915-2922.
Tolliver, R. L.; Mathews, J. P., Reviews of science for science librarians: coal science and technology research 1970-2010. Science & Technology Libraries 2012, 31, 146-163.
Pulati, N.; Sobkowiak, M.; Mathews, J. P.; Painter, P., Low temperature treatment of Illinois No. 6 coal in ionic liquids. Energy & Fuels 2012, 26, 3548-3552.
Pou, J. O.; Alvarez, Y. E.; Watson, J. K.; Pisupati, S.; Mathews, J. P., Co-primary thermolysis molecular modeling simulation of lignin and subbituminous coal via a reactive coarse-grained simplification. Journal of Analytical and Applied Pyrolysis 2012, 95, 101-111.
Mathews, J. P.; Sharma, A., The structural alignment of coals and the analogous case of Argonne Upper Freeport Fuel 2012, 95, 19-24.
Mathews, J. P.; Chaffee, A., The molecular representations of coal — a review. Fuel 2012, 96, 1-14.
Kumar, H.; Elsworth, D.; Mathews, J. P.; Lui, J.; Pone, D., Optimizing enhanced coalbed methane recovery for unhindered production and CO2 injectivity. International Journal of Greenhouse Gas Control 2012, 11, 86-97.
Castro-Marcano, F.; Winans, R. E.; Chupas, P.; Chapman, K.; Calo, J. M.; Watson, J. K.; Mathews, J. P., Fine structure evaluation of the pair distribution function with molecular models of the Argonne Premium coals. Energy & Fuels 2012, 26, 4336-4345.
Castro-Marcano, F.; Lobodin, V. V.; Rodgers, R. P.; McKenna, A. M.; Marshall, A. G.; Mathews, J. P., A molecular model for the Illinois no. 6 Argonne Premium coal: moving towards capturing the continuum structure. Fuel 2012, 95, 35-49.
Castro-Marcano, F.; Kamat, A. M.; Russo, M. F.; van Duin, A.; Mathews, J. P., Combustion of an Illinois No. 6 coal char simulated using an atomistic char representation and the ReaxFF reactive force field. Combustion and Flame 2012, 159, 1272-1285.
Alvarez, Y. E.; Watson, J. K.; Pou, J. O.; Mathews, J. P., A novel simplification approach for large-scale structural models of coal: 3D molecules to 2D lattices. 2. Visualization capabilities. Energy & Fuels 2012, 26, 4946-4952.
Alvarez, Y. E.; Watson, J. K.; Mathews, J. P., A novel simplification approach for large-scale structural models of coal: 3D molecules to 2D lattices. 1. Lattice creation. Energy & Fuels 2012, 26, 4938-4945.
Van Niekerk, D.; Mathews, J. P., Molecular dynamics simulation of coal-solvent interactions in Permian-aged South African coals. Fuel Processing Technology 2011, 92, (4), 729-734.
Van Niekerk, D.; Castro-Marcano, F.; Colina, C. M.; Mathews, J. P., Solvent swelling extent of Permian aged vitrinite- and inertinite-rich coals: experiments and modeling using perturbed-chain statistical associating fluid theory (PC-SAFT). Energy & Fuels 2011, 25, (6), 2559-2564.
Mathews, J. P.; van Duin, A.; Chaffee, A., The utility of coal molecular models. Fuel Processing Technology 2011, 92, (4), 718-728.
Mathews, J. P.; Pone, J. D. N.; Mitchell, G. D.; Halleck, P., High-resolution X-ray computed tomography observations of the thermal drying of lump-sized subbituminous coal. Fuel Processing Technology 2011, 92, (1), 58-64.
Kumar, H.; Lester, E.; Kingman, S.; Avila, C.; Jones, A.; Robinson, J.; Halleck, P. M.; Mathews, J. P., Inducing fractures and increasing cleat apertures in bituminous coal under isostatic stress via application of microwave energy. International Journal of Coal Geology 2011, 88, (1), 75-82.
Fernandez-Alos, V.; Watson, J. K.; vander Wal, R.; Mathews, J. P., Soot and char molecular representations generated directly from HRTEM lattice fringe images using Fringe3D. Combustion and Flame 2011, 158, (9), 1807-1813.
Castro-Marcano, F.; Mathews, J. P., Constitution of Illinois No. 6 Argonne Premium coal: a review. Energy & Fuels 2011, 25, (3), 845-853.
Van Niekerk, D.; Mitchell, G. D.; Mathews, J. P., Petrographic and reflectance analysis of solvent-swelled and solvent-extracted South African vitrinite-rich and inertinite-rich coals. International Journal of Coal Geology 2010, 81, (1), 45-52.
Van Niekerk, D.; Mathews, J. P., Simulation of solvent extraction of South African vitrinite-rich and inertinite-rich coals. Energy & Fuels 2010, 24, (12), 6393-6399.
Van Niekerk, D.; Mathews, J. P., Molecular representations of vitrinite-rich and interinite-rich Permian aged South African coals. Fuel 2010, 89, (1), 73-82.
Van Niekerk, D.; Halleck, P.; Mathews, J. P., Solvent swelling behavior of Permian-aged South African vitrinite-rich and inertinite-rich coals. Fuel 2010, 89, (1), 19-25.
Pone, J. D. N.; Halleck, P. M.; Mathews, J. P., 3D characterization of strains in coal induced by compression, carbon dioxide sorption, and desorption at in situ stress conditions. International Journal of Coal Geology 2010, 82, (3-4), 262-268.
Painter, P.; Pulati, N.; Cetiner, R.; Sobkowiak, M.; Mitchell, G.; Mathews, J., Dissolution and dispersion of coal in ionic liquids. Energy & Fuels 2010, 24, (3), 1848-1853.
Painter, P.; Cetiner, R.; Pulati, N.; Sobkowiak, M.; Mathews, J. P., The dispersion of liquefaction catalysts in coal in ionic liquids. Energy & Fuels 2010, 24, (5), 3086-3092.
Mathews, J. P.; Ferdandez-Alos, V.; Jones, D. A.; Schobert, H. H., Determining the molecular weight distribution of Pocahontas No. 3 low-volatile bituminous coal utilizing HRTEM and laser desorption ionization mass spectra data. Fuel 2010, 89, (7), 1461-1469.
Tambach, T. J.; Mathews, J. P.; van Bergen, F., Molecular exchange of CH4 and CO2 in coal: enhanced coalbed methane on a nanoscale. Energy & Fuels 2009, 23, (10), 4845-4847.
Sarunac, N.; Ness, M.; Bullinger, C.; Mathews, J. P.; Halleck, P., A novel fludized bed drying and density segregation process for upgrading low-rank coals. International Journal of Coal Preparation and Utilization 2009, 29, (6), 317-332.
Pone, J. D. N.; Hile, M.; Halleck, P. M.; Mathews, J. P., Three-dimensional carbon dioxide-induced strain distribution within a confined bituminous coal. International Journal of Coal Geology 2009, 77, (1-2), 103-108.
Pone, J. D. N.; Halleck, P. M.; Mathews, J. P., Sorption capacity and sorption kinetic measurements of CO2 and CH4 in confined and unconfined bituminous coal. Energy & Fuels 2009, 23, (9), 4688-4695.
Narkiewicz, M. R.; Mathews, J. P., Visual representations of carbon dioxide adsorption in a low-volatile bituminous coal molecular model. Energy & Fuels 2009, 23, (10), 5326-5246.
Hsu, Y.-C.; Ching, Y.-H.; Mathews, J. P.; Carr-Chellman, A., Undergraduate students' self-regulated learning experience in a web-based learning environment. Quarterly Review of Distance Education 2009, 10, (2), 109-121.
Van Niekerk, D.; Pugmire, R. J.; Solum, M. S.; Painter, P.; Mathews, J. P., Structural characterization of vitrinite-rich and interinite-rich Permian aged South African coals. International Journal of Coal Geology 2008, 76, 290-300.
Narkiewicz, M. R.; Mathews, J. P., Improved low-volatile bituminous coal representation: incorporating the molecular weight distribution. Energy & Fuels 2008, 22, (5), 3104-3111.
Mathews, J. P.; Eser, S.; Hatcher, P. G.; Scaroni, A. W., The shape of pulverized bituminous vitrinite coal particles. KONA Powder and Particle 2007, 25, 145-152.
Painter, P. C.; Sobkowiak, M.; Mathews, J. P.; Scaroni, A., Concerning the nature of coal solutions and suspensions. Energy & Fuels 2004, 18, (4), 1104-1107.
Groenzin, H.; Mullins, O. C.; Eser, S.; Mathews, J. P.; Yang, M. G.; Jones, A. D., Molecular size of asphaltene solubility fractions. Energy & Fuels 2003, 17, (2), 498-503.
Mathews, J. P.; Hatcher, P. G.; Scaroni, A. W., Proposed model structures for Upper Freeport and Lewiston-Stockton vitrinites. Energy & Fuels 2001, 15, (4), 863-873.
Acharya, M.; Strano, M. S.; Mathews, J. P.; Billinge, J. L.; Petkov, V.; Subramoney, S.; Foley, H. C., Simulation of nanoporous carbons: a chemically constrained structure. Philosophical Magazine B-Physics of Condensed Matter Statistical Mechanics Electronic Optical and Magnetic Properties 1999, 79, (10), 1499-1518.
Mathews, J. P.; Hatcher, P. G.; Scaroni, A. W., Particle size dependency of volatile matter: Is there a non-maceral related effect? Fuel 1997, 76, (4), 359-362.
Faulon, J.-L.; Mathews, J. P.; Carlson, G. A.; Hatcher, P. G., Correlation between micropore and fractal dimension of bituminous coal based on computer generated models. Energy & Fuels 1994, 8, (2), 408-415

John and Willie Leone Family

Department of Energy and Mineral Engineering

Jonathan P. Mathews

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