About:
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 currently active in coalbed methane research, carbon products from coal, and porosity modeling. He has extensive domestic (universities and National Labs) and international collaborations (China, England, South Africa, and Australia).
Publications
- Lu, G.; Zou, C.; Mathews, J. P.; Zhang, G.; Pan, S.; Liu, H.; Song, Y.; Liu, Y.; Hua, G.; Zhao, Z.; Yuan, M.; Jing, Z. Molecular simulation of the potential effects of oxygen functionalities on the adsorption and diffusion of methane in kerogen Fuel 2025, 386,
- Yoo, P., G.S. Jung, M.R. Ryder, F. Vautard, E. Cakmak, S. Wi, M.C. Weisenberger, E. Lara-Curzio, J.P. Mathews, and S. Irle, Large-scale atomistic model construction of subbituminous and bituminous coals for solvent extraction simulations with reactive molecular dynamics. Carbon, 2024. 222.
- Sierra-Jimenez, V., J.P. Mathews, P. Yoo, A. Budai, F. Chejne, A. Dufour, and M. Garcia-Perez, Biochar data into structure: A methodology for generating large-scale atomistic representations. Carbon, 2024. 228.
- Cakmak, E., J.P. Mathews, S. Wi, M.R. Ryder, M. Chacón-Patiño, A.M. McKenna, F. Vautard, M. Arnould, H. Meyer, and E. Lara-Curzio, Detailed characterization of vitrinite-rich subbituminous and bituminous coals for utilization in carbon fiber precursor production. Energy & Fuels, 2024. 38(8): p. 6774-6789.
- Sierra-Jimenez, V., J.P. Mathews, F. Chejne, A. Dufour, and M. Garcia-Perez, Atomistic modeling of lignocellulosic and carbonaceous fuels and their pyrolysis reactions: A review. Energy & Fuels, 2023. 37(23): p. 18408-18440.
- Cakmak, E., J.C. Hower, J.P. Mathews, M.C. Weisenberger, R. Kaplan, J. Lacy, Y.X. Zhang, and E. Lara-Curzio, Microstructural diversity and digestion yields of select bituminous and subbituminous coals as raw material candidates for carbon fiber precursor production. Fuel, 2023. 348.
- Yuan, L., Q.F. Liu, K. Li, Y. Quan, X.G. Li, and J.P. Mathews, The evolution of coal, examining the transitions from anthracite to natural graphite: a spectroscopy and optical microscopy evaluation. Frontiers of Earth Science, 2022.
- Yu, S., J. Bo, V. Vandeginste, and J.P. Mathews, Deformation-related coalification: Significance for deformation within shallow crust. International Journal of Coal Geology, 2022. 256.
- Du, Y., C. Wang, D. Che, and J.P. Mathews, The influence of char particle morphology on char burnout behavior by atomistic simulation. Fuel, 2022. 314.
- Cakmak, E., A. Annamraju, J.P. Mathews, L.L. He, N. Gallego, and E. Lara-Curzio, Characterization of porosity and pore accessibility of vitrinite-rich bituminous and subbituminous coals by small-angle neutron scattering, mercury intrusion porosimetry, and low-pressure N2 adsorption. Energy & Fuels, 2022. 37(1): p. 191-203.
- Zhang, Y., S. Hu, Q. Zhong, J. Zhuo, and J.P. Mathews, A large-scale molecular model of Fenghuangshan anthracite coal. Fuel, 2021. 295.
- Yuan, L., Q. Liu, J.P. Mathews, H. Zhang, and Y. Wu, Quantifying the structural transitions of Chinese coal to coal-derived natural graphite by XRD, Raman spectroscopy, and HRTEM image analyses. Energy & Fuels, 2021. 35(3): p. 2335-2346.
- Wang, X., Y. Zhu, S. Chen, X. Dai, Q. Xu, Y. Song, and J.P. Mathews, Molecular structure evaluation and image-guided atomistic representation of marine kerogen from Longmaxi Shale. Energy & Fuels, 2021.
- Li, W., Y. Song, W.-b. Yang, and J.P. Mathews, Structural transformations for a subbituminous coal, impact of temperature on gold-tube pyrolysis chars evaluated using HRTEM. Fuel, 2021. 311.
- Chen, S., D. Tang, S. Tao, P. Liu, and J.P. Mathews, Implications of the in situ stress distribution for coalbed methane zonation and hydraulic fracturing in multiple seams, western Guizhou, China. Journal of Petroleum Science and Engineering, 2021. 204.
- Chang, Q. H.; Gao, R.; Gao, M.; Yu, G. S.; Mathews, J. P.; Wang, F. C., Experimental analysis of the evolution of soot structure during CO2 gasification. Fuel 2020, 265.
- Liu, Y.; Xu, H.; Tang, D.; Xu, F.; Mathews, J. P.; Hou, W.; Yan, X.; Ding, F., Coalbed methane production of a heterogeneous reservoir in the Ordos Basin, China. Journal of Natural Gas Science and Engineering 2020, 82.
- Song, Y.; Jiang, B.; Li, M.; Hou, C.; Mathews, J. P., Macromolecular transformations for tectonically-deformed high volatile bituminous via HRTEM and XRD analyses. Fuel 2020, 263.
- Wang, X.; Zhu, Y.; Song, Y.; Mathews, J. P., Structure and partial ordering of terrestrial kerogen: Insight from high-resolution transmission electron microscopy. Fuel 2020, 281.
- Zhong, Q.; Zhang, Y.; Shabnan, S.; Mao, Q.; Xiao, J.; Van Duin, A. C. T.; Mathews, J. P., ReaxFF MD simulations of petroleum coke CO2 gasification examining the S/N removal mechanisms and CO/CO2 reactivity. Fuel 2019, 257
- Zhang, Y.; Zhang, X.; Zhong, Q.; Hu, S.; Mathews, J. P., Structural differences of spontaneous combustion prone inertinite-rich Chinese lignite coals: Insights from XRD, Solid-State 13C NMR, LDIMS, and HRTEM. Energy & Fuels 2019, 33, (5), 4575-4584.
- Liu, Y.; Xu, H.; Tang, D.; Mathews, J. P.; Zhai, Y.; Hou, W.; Li, S.; Tao, S.; Xiong, X.; Wang, W., The impact of the coal macrolithotype on reservoir productivity, hydraulic fracture initiation and propagation. Fuel 2019, 239, 471-483
- 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, Carbon 2019, 141, 226-237
- 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.