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Research Output

Article

Constitution of Drop-Tube-Generated Coal Chars from Vitrinite- and Inertinite-Rich South African Coals

Louw, E. B., Mitchell, G. D., Wang, J., Winans, R. E. & Mathews, J. P., Jan 21 2016, In : Energy and Fuels. 30, 1, p. 112-120 9 p.

Research output: Contribution to journalArticle

11 Scopus citations

Construction Strategy for Atomistic Models of Coal Chars Capturing Stacking Diversity and Pore Size Distribution

Wang, CA., Watson, J. K., Louw, E. & Mathews, J. P., Aug 20 2015, In : Energy and Fuels. 29, 8, p. 4814-4826 13 p.

Research output: Contribution to journalArticle

14 Scopus citations
8 Scopus citations

Correlation between Microporosity and Fractal Dimension of Bituminous Coal Based on Computer-Generated Models

Faulon, J. L., Mathews, J. P., Carlson, G. A. & Hatcher, P. G., Mar 1 1994, In : Energy and Fuels. 8, 2, p. 408-414 7 p.

Research output: Contribution to journalArticle

41 Scopus citations

Density functional theory molecular modelling and experimental particle kinetics for CO2-char gasification

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., Aug 8 2015, In : Carbon. 93, p. 295-314 20 p.

Research output: Contribution to journalArticle

20 Scopus citations

Determining the molecular weight distribution of Pocahontas No. 3 low-volatile bituminous coal utilizing HRTEM and laser desorption ionization mass spectra data

Mathews, J. P., Fernandez-Also, V., Daniel Jones, A. & Schobert, H. H., Jul 1 2010, In : Fuel. 89, 7, p. 1461-1469 9 p.

Research output: Contribution to journalArticle

39 Scopus citations

Devolatilization, a molecular modeling approach

Mathews, J. P., Hatcher, P. G. & Scaroni, A. W., Dec 1 1998, In : ACS Division of Fuel Chemistry, Preprints. 43, 1, p. 136-138 3 p.

Research output: Contribution to journalArticle

12 Scopus citations
1 Scopus citations

Dispersion of liquefaction catalysts in coal using ionic liquids

Painter, P., Cetiner, R., Pulati, N., Sobkowiak, M. & Mathews, J., May 20 2010, In : Energy and Fuels. 24, 5, p. 3086-3092 7 p.

Research output: Contribution to journalArticle

31 Scopus citations

Dissolution and dispersion of coal in ionic liquids

Painter, P., Pulati, N., Cetiner, R., Sobkowiak, M., Mitchell, G. D. & Mathews, J. P., Mar 18 2010, In : Energy and Fuels. 24, 3, p. 1848-1853 6 p.

Research output: Contribution to journalArticle

75 Scopus citations

Dissolution and dispersion of coal in ionic liquids

Painter, P. C., Pulati, N., Cetiner, R., Sobkowiak, M., Mitchell, G. & Mathews, J. P., 2010, In : ACS National Meeting Book of Abstracts.

Research output: Contribution to journalArticle

1 Scopus citations

Effect of CO2 injection on heterogeneously permeable coalbed reservoirs

Kumar, H., Elsworth, D., Mathews, J. P., Liu, J. & Pone, D., Jan 11 2014, In : Fuel. 135, p. 509-521 13 p.

Research output: Contribution to journalArticle

29 Scopus citations

Elucidation of the structural and molecular properties of typical South African coals

Hattingh, B. B., Everson, R. C., Neomagus, H. W. J. P., Bunt, J. R., Van Niekerk, D., Jordaan, J. H. L. & Mathews, J. P., Jun 20 2013, In : Energy and Fuels. 27, 6, p. 3161-3172 12 p.

Research output: Contribution to journalArticle

18 Scopus citations

Evaluation of coal macrolithotypes distribution by geophysical logging data in the Hancheng Block, Eastern Margin, Ordos Basin, China

Xu, H., Tang, D., Mathews, J. P., Zhao, J., Li, B., Tao, S. & Li, S., Aug 1 2016, In : International Journal of Coal Geology. 165, p. 265-277 13 p.

Research output: Contribution to journalArticle

17 Scopus citations

Fine structure evaluation of the pair distribution function with molecular models of the Argonne Premium coals

Castro-Marcano, F., Winans, R. E., Chupas, P., Chapman, K., Calo, J. M., Watson, J. K. & Mathews, J. P., Jul 19 2012, In : Energy and Fuels. 26, 7, p. 4336-4345 10 p.

Research output: Contribution to journalArticle

23 Scopus citations

High-resolution X-ray computed tomography observations of the thermal drying of lump-sized subbituminous coal

Mathews, J. P., Pone, J. D. N., Mitchell, G. D. & Halleck, P., Jan 1 2011, In : Fuel processing technology. 92, 1, p. 58-64 7 p.

Research output: Contribution to journalArticle

43 Scopus citations

Improved low-volatile bituminous coal representation: Incorporating the molecular-weight distribution

Narkiewicz, M. R. & Mathews, J. P., Sep 2008, In : Energy and Fuels. 22, 5, p. 3104-3111 8 p.

Research output: Contribution to journalArticle

36 Scopus citations

Improved quantification of curvature in high-resolution transmission electron microscopy lattice fringe micrographs of soots

Wang, C., Huddle, T., Huang, C. H., Zhu, W., Vander Wal, R. L., Lester, E. H. & Mathews, J. P., Jun 1 2017, In : Carbon. 117, p. 174-181 8 p.

Research output: Contribution to journalArticle

20 Scopus citations

Inducing fractures and increasing cleat apertures in a bituminous coal under isotropic stress via application of microwave energy

Kumar, H., Lester, E., Kingman, S., Bourne, R., Avila, C., Jones, A., Robinson, J., Halleck, P. M. & Mathews, J. P., Oct 1 2011, In : International Journal of Coal Geology. 88, 1, p. 75-82 8 p.

Research output: Contribution to journalArticle

66 Scopus citations

Influence of chemical structure on the fluidity of rapidly heated bituminous vitrinites

Mathews, J. P., Hatcher, P. G. & Scaroni, A. W., Dec 1 1997, In : ACS Division of Fuel Chemistry, Preprints. 42, 1, p. 214-216 3 p.

Research output: Contribution to journalArticle

Influence of maceral composition on the structure, properties and behaviour of chars derived from South African coals

Roberts, M. J., Everson, R. C., Neomagus, H. W. J. P., Van Niekerk, D., Mathews, J. P. & Branken, D. J., Feb 15 2015, In : Fuel. 142, p. 9-20 12 p.

Research output: Contribution to journalArticle

47 Scopus citations

Interactions of Illinois No. 6 bituminous coal with solvents: A review of solvent swelling and extraction literature

Mathews, J. P., Clifford, C. E. & Painter, P., Mar 19 2015, In : Energy and Fuels. 29, 3, p. 1279-1294 16 p.

Research output: Contribution to journalArticle

30 Scopus citations

Macromolecular transformations for tectonically-deformed high volatile bituminous via HRTEM and XRD analyses

Song, Y., Jiang, B., Li, M., Hou, C. & Mathews, J. P., Mar 1 2020, In : Fuel. 263, 116756.

Research output: Contribution to journalArticle

Mapping internal structure of coal by confocal micro-Raman spectroscopy and scanning microwave microscopy

Tselev, A., Ivanov, I. N., Lavrik, N. V., Belianinov, A., Jesse, S., Mathews, J. P., Mitchell, G. D. & Kalinin, S. V., Jun 15 2014, In : Fuel. 126, p. 32-37 6 p.

Research output: Contribution to journalArticle

29 Scopus citations

Molecular dynamic simulation of coal-solvent interactions in Permian-aged South African coals

Van Niekerk, D. & Mathews, J. P., Apr 1 2011, In : Fuel Processing Technology. 92, 4, p. 729-734 6 p.

Research output: Contribution to journalArticle

29 Scopus citations

Molecular exchange of ch4 and co2 in coal: Enhanced coalbed methane on a nanoscale

Tambach, T. J., Mathews, J. P. & Bergen, F. V., Oct 15 2009, In : Energy and Fuels. 23, 10, p. 4845-4847 3 p.

Research output: Contribution to journalArticle

38 Scopus citations

Molecular representations of Permian-aged vitrinite-rich and inertinite-rich South African coals

Niekerk, D. V. & Mathews, J. P., Jan 1 2010, In : Fuel. 89, 1, p. 73-82 10 p.

Research output: Contribution to journalArticle

82 Scopus citations

Molecular size of asphaltene solubility fractions

Groenzin, H., Mullins, O. C., Eser, S., Mathews, J. P., Yang, M. G. & Jones, D., Mar 1 2003, In : Energy and Fuels. 17, 2, p. 498-503 6 p.

Research output: Contribution to journalArticle

107 Scopus citations

Novel simplification approach for large-scale structural models of coal: Three-dimensional molecules to two-dimensional lattices. Part 3: Reactive lattice simulations

Alvarez, Y. E., Moreno, B. M., Klein, M. T., Watson, J. K., Castro-Marcano, F. & Mathews, J. P., Jun 20 2013, In : Energy and Fuels. 27, 6, p. 2915-2922 8 p.

Research output: Contribution to journalArticle

5 Scopus citations
4 Scopus citations
6 Scopus citations

Optimizing enhanced coalbed methane recovery for unhindered production and CO2 injectivity

Kumar, H., Elsworth, D., Liu, J., Pone, D. & Mathews, J. P., Nov 1 2012, In : International Journal of Greenhouse Gas Control. 11, p. 86-97 12 p.

Research output: Contribution to journalArticle

40 Scopus citations

Particle size dependence of coal volatile matter: Is there a non-maceral-related effect?

Mathews, J. P., Hatcher, P. G. & Scaroni, A. W., Mar 1997, In : Fuel. 76, 4, p. 359-362 4 p.

Research output: Contribution to journalArticle

24 Scopus citations

Particle size influence on the pore development of nanopores in coal gasification chars: From micron to millimeter particles

Coetzee, G. H., Sakurovs, R., Neomagus, H. W. J. P., Everson, R. C., Mathews, J. P. & Bunt, J. R., Feb 1 2017, In : Carbon. 112, p. 37-46 10 p.

Research output: Contribution to journalArticle

11 Scopus citations

Permeability evolution in fractured coal - Combining triaxial confinement with X-ray computed tomography, acoustic emission and ultrasonic techniques

Cai, Y., Liu, D., Mathews, J. P., Pan, Z., Elsworth, D., Yao, Y., Li, J. & Guo, X., Feb 1 2014, In : International Journal of Coal Geology. 122, p. 91-104 14 p.

Research output: Contribution to journalArticle

97 Scopus citations

Permeability evolution in sorbing media: Analogies between organic-rich shale and coal

Kumar, H., Elsworth, D., Mathews, J. P. & Marone, C., Feb 1 2016, In : Geofluids. 16, 1, p. 43-55 13 p.

Research output: Contribution to journalArticle

38 Scopus citations

Permeability evolution of propped artificial fractures in coal on injection of CO2

Kumar, H., Elsworth, D., Liu, J., Pone, D. & Mathews, J. P., Sep 1 2015, In : Journal of Petroleum Science and Engineering. 133, p. 695-704 10 p.

Research output: Contribution to journalArticle

20 Scopus citations

Petrographic and reflectance analysis of solvent-swelled and solvent-extracted South African vitrinite-rich and inertinite-rich coals

Van Niekerk, D., Mitchell, G. D. & Mathews, J. P., Jan 7 2010, In : International Journal of Coal Geology. 81, 1, p. 45-52 8 p.

Research output: Contribution to journalArticle

11 Scopus citations

Pore development during gasification of South African inertinite-rich chars evaluated using small angle X-ray scattering

Coetzee, G. H., Sakurovs, R., Neomagus, H. W. J. P., Morpeth, L., Everson, R. C., Mathews, J. P. & Bunt, J. R., Oct 11 2015, In : Carbon. 95, p. 250-260 11 p.

Research output: Contribution to journalArticle

17 Scopus citations

Preliminary results on the molecular structures of the Athabasca and Cold Lake asphaltenes

Mathews, J. P., Eser, S. & Parviz-Rahimi, Aug 22 1999, In : ACS Division of Fuel Chemistry, Preprints. 44, 4, p. 783-785 3 p.

Research output: Contribution to journalArticle

2 Scopus citations

Proposed model structures for Upper Freeport and Lewiston-Stockton vitrinites

Mathews, J. P., Hatcher, P. G. & Scaroni, A. W., Jul 2001, In : Energy and Fuels. 15, 4, p. 863-873 11 p.

Research output: Contribution to journalArticle

27 Scopus citations

Pulsed laser annealing of carbon black

Abrahamson, J. P., Singh, M., Mathews, J. P. & Vander Wal, R. L., Nov 2017, In : Carbon. 124, p. 380-390 11 p.

Research output: Contribution to journalArticle

14 Scopus citations

Pyrolysis of a large-scale molecular model for Illinois no. 6 coal using the ReaxFF reactive force field

Castro-Marcano, F., Russo, M. F., Van Duin, A. & Mathews, J. P., Sep 1 2014, In : Journal of Analytical and Applied Pyrolysis. 109, p. 79-89 11 p.

Research output: Contribution to journalArticle

51 Scopus citations

Quantifying Curvature in High-Resolution Transmission Electron Microscopy Lattice Fringe Micrographs of Coals

Wang, C., Huddle, T., Lester, E. H. & Mathews, J. P., Apr 21 2016, In : Energy and Fuels. 30, 4, p. 2694-2704 11 p.

Research output: Contribution to journalArticle

12 Scopus citations

ReaxFF MD simulations of petroleum coke CO2 gasification examining the S/N removal mechanisms and CO/CO2 reactivity

Zhong, Q., Zhang, Y., Shabnam, S., Mao, Q., Xiao, J., van Duin, A. C. T. & Mathews, J. P., Dec 1 2019, In : Fuel. 257, 116051.

Research output: Contribution to journalArticle

1 Scopus citations

ReaxFF simulations of petroleum coke sulfur removal mechanisms during pyrolysis and combustion

Zhong, Q., Mao, Q., Xiao, J., van Duin, A. C. T. & Mathews, J. P., Dec 2018, In : Combustion and Flame. 198, p. 146-157 12 p.

Research output: Contribution to journalArticle

9 Scopus citations

Reduction of caking propensity in large (millimeter-sized) South African coal particles with potassium carbonate impregnation to expand fixed- and fluidized-bed gasification feedstock suitability

Coetzee, S., Neomagus, H. W. J. P., Bunt, J. R., Mathews, J. P., Strydom, C. A. & Schobert, H. H., Jul 16 2015, In : Energy and Fuels. 29, 7, p. 4255-4263 9 p.

Research output: Contribution to journalArticle

2 Scopus citations

Reductive Gaseous (H2/NH3) Desulfurization and Gasification of High-Sulfur Petroleum Coke via Reactive Force Field Molecular Dynamics Simulations

Zhong, Q., Zhang, Y., Shabnam, S., Xiao, J., Van Duin, A. C. T. & Mathews, J. P., Sep 19 2019, In : Energy and Fuels. 33, 9, p. 8065-8075 11 p.

Research output: Contribution to journalArticle

1 Scopus citations

Simulation of nanoporous carbons: A chemically constrained structure

Acharya, M., Strano, M. S., Mathews, J. P., Billinge, S. J. L., Petkov, V., Subramoney, S. & Foley, H. C., Jan 1 1999, In : Philosophical Magazine B: Physics of Condensed Matter; Statistical Mechanics, Electronic, Optical and Magnetic Properties. 79, 10, p. 1499-1518 20 p.

Research output: Contribution to journalArticle

82 Scopus citations

Simulation of solvent extraction of South African vitrinite- and inertinite-rich coals

Van Niekerk, D. & Mathews, J. P., Dec 16 2010, In : Energy and Fuels. 24, 12, p. 6393-6399 7 p.

Research output: Contribution to journalArticle

10 Scopus citations