Recent relevant publications by members of the CERTAIN team


Amonette, J. E., Zhong, L.,, Darrah, T.H., Grove, B.S., and Cole, D.R. (2019) Noble and major gases released from rock core materials as instrinsic tracers for detecting carbon dioxide leakage - Laboratory evaluation. International Journal of Greenhouse Gas Control, 89 (2019) 76-88

Anovitz, L.M. and Cole, D.R. (2019) Analysis of the pore structures of shale using neutron and X-ray small-angle scattering. In: Amer. Geophys Union Monograph 238 - Geological Carbon Storage: Subsurface Seals and Caprock, (eds. S. Vially, J. Ajo-Franklin, W. Carey), 71-118

Gautam, S., Lieu, T. and Cole, D.R. (2019) Sorption, structure and dynamics of CO2 and ethane in silicalite at high pressure: A combined Monet Carlo and molecular dynamics simulation study. Molecules 24 (99), doi:10.3390/molecules24010099

Harkness, J.S. and Darragm T.H. (2019) From the crus to the cortical: the geochemistry of trace elements in human bone. Geochimica et Cosmochimica Acta, Vol. 249, pg. 76-94. DOI: 10.1016/j.gca.2019.01.019.

Liu, T., Luo, W., Asthagiri, A. and Cole, D.R. (2019) Water adsorption on olivine (010) surfaces: Effect of alkali and transition metal cation doping. J. Chem. Phys. 150, doi: 10.1063/1.5058770

Nisi, B., Vaselli O., Elio, J., Giannini, L., Guidi, M., Darrah, T.H., Maletic, E.L., Huertas, A.D., Marchionni, S. (2019) The Campo de Calatrava Volcanic Field (central Spain): Fluid geochemistry a CO2-rich area. Applied Geochemistry, Vol. 102, pg. 153-170. DOI: 10.1016/j.apgeochem.2019.01.011.

Welch, S., Sheeets, J., Place, M., and Cole, D.R. (2019) Geochemical Monitoring of CO2 Injection into an Oil-Bearing Reef in the Northerm Michigan Basin. Applied Geochemistry, 100, 380-392

Wang, Q., Lyu, C., and Cole, D.R. (2019) Effects of hydration on fractures and shale permeability under different confining pressures: An experimental study. J. Petrol. Sci. Eng.


Amooie, M. A. and Moortgat, J. (2018) Higher-order black-oil and compositional modeling of multiphase compressible flow in porous media. Internat. J. Multiphase Flow. doi:10.1016/j.ijmultiphaseflow.2018.03.016

Badmos, S. B., Striolo, A. and Cole, D. R. (2018) Aqueous hydrogen sulphide in slit-shaped silica pores: Confinement effects on solubility, structural and dynamical properties. J. Phys. Chem. C, 122 (26), pp 14744–14755.

Boreham, C. J., Edwards, D. S., Poreda, R. J., Darrah, T. H., Zhu, R., Grosjean, E., Main, P., Waltenberg, K. and Henson, P. A. (2018) Helium in the Australian liquefied natural gas economy. APPEA Journal. 58(1) 209-237.

Borton, M.A., Daly, R.A., O'Bannion, B., Hoyt, D.W., Welch, S., Hastings, S.S., Meulia, T., Marcus, D.N., Wolfe, R.A., Booker, A.E., Sharma, S., Cole, D.R., Moore, J.D., Wilkins, M.J. and Wrighton, K.C. (2018) Comparative genomics and physiology of the genus Methanohalophilus, a prevalent hydraulically fractures shale methanogen. Environmental Microbiology  doi 10.1111/1462-2920.14467

Borton, M. A., Hoyt, D. W., Daly, R. A., Roux, S., Welch, S. A., Morgan, D. M., Nicora, C. D., Purvine, S., Hansen, A. J., Sharma, S., Carr, T. R., Cole, D. R., Mouser, P. J., Lipton, M. S., Wilkins, M. J. and Wrighton, K. C. (2018) Coupled laboratory and field investigations resolve microbial interactions that underpin persistence in hydraulically fractured shales. Proc. Nat. Acad. Sci., July 10, 2018. 115 (28) E6585-E6594

Cook, A. E. and Waite, W. F. (2018) Archie’s saturation exponent for natural gas hydrate in sand reservoirs. J. Geophys.Res.: Solid Earth, 123. doi: 10.1002/2017JB015138

Dai, Z., Zhang, Y., Stauffer, P. H., Bielicki, J. M., Amooie, M. A., Zhang, M. Yang, C., Zou, Y., Ampomah, W., Xiao, T., Jia, W., Middleton, R. S., Zhang, W., Sun, Y., Moortgat, J. and Soltanian, M. R. (2018) Heterogeneity-assisted carbon dioxide storage in marine sediments. Applied Energy. doi:10.1016/j.apenergy.2018.05.038.

Darrah, T.H. (2018) Time to settle the fracking controversy. Groundwater. Vol. 56(2) pg. 161-162. DOI:10.111/gwat/12636.

Dhiman, I., Bhowmik, D., Cole, D. R. and Gautam, S. (2018) Effect of molecular shape on rotation under severe confinement. Chem. Eng. Sci. 180, 33-41.

Dhiman, I., Shrestha, U.R., Bhowmik, D., Cole, D.R. and Gautam, S. (2018) Influence of molecular shape on self-diffusion under severe confinement: A molecular dynamics study. Chemical Physics 516, 92-102

Evans, M.V., Panescu, J., Hanson, A.J., Welch, S.A., Sheets, J.M., Nastasi, N., Daly, R.A., Cole, D.R., Darrah, T.H., Wilkins, M.J., Wrighton, K.C., and Mouser, P.J. (2018) Influence of Marinobacter and Arcobacter taxa on system biogeochemistry during early production of hydraulically fractured shale gas wells in the Appalachian Basin. Frontiers in Microbiology., Vol. 9, pg. 1-17.

Eymold, W. K., Swana, K., Moore, M. T., Whyte, C. J., Harkness, J. S., Talma, S., Murray, R., Moortgat, J. B., Miller, J., Vengosh, A. and Darrah, T. H. (2018) Hydrocarbon-rich groundwater above shale gas formations: A Karoo Basin case study. Groundwater. Vol. 56(2), pg. 204-224. DOI: 10.1111/gwat12637.

Gautam, S., Kolesnikov, A.I., Rother, G., Dai, S., Qiao, Z-A. and Cole, D.R. (2018) Effects of confinement, pressure and temperature on vibrational behavior of propane. J Phys Chem - A DOI: 10.1021/acs.jpca.8b05028

Harkness, J. S., Swana, K., Eymold, W. K., Miller, J., Murray, R., Talma, S., Whyte, C. J., Moore, M. T., Maletic, E., Vengosh, A. and Darrah, T. H. (2018) Baseline groundwater geochemistry in the Karoo Basin, South Africa. Groundwater, Vol. 56(2), pg. 187-203. DOI: 10.1111/gwat.12635.

Horita, J., Driesner, T. and Cole, D. R. (2018) Hydrogen isotope fractionation in the system brucite-water±NaCl to elevated temperatures and pressures: Implications for the D/H reduced partition function ratios of NaCl solutions under geologic conditions. Geochim. Cosmochim. Acta 235, 140-152.

Kreuzer, R. L., Darrah, T. H., Grove, B. S., Moore, M. T., Warner, N.R., Eymold, W. K., Whyte, C. J., Mitra, G., Jackson, R. B., Vengosh, A. and Poreda, R. J. (2018) Structural and hydrogeological controls on hydrocarbon and brine migration into drinking water aquifers in southern New York. Groundwater. Vol. 56(2), pg. 225-244. DOI: 10.1111/gwat.12638.

Le, T. T. B., Striolo and Cole, D. R. (2018) Structural and dynamical properties predicted by reactive force field simulations of four common pure fluids at liquid and gaseous non-reactive conditions. Molec. Sim., 44 (10), 826-839.

Liu, T., Gautam, S., Wang, H-W., Anovitz, L.M., Mamontov, E., Allard, L.F. and Cole, D.R. (2018, on line) Structure and dynamics of water on forsterite surface. Phys. Chem. Chem. Phys. 20, 27822-27829. doi: 10.1039/c8cp05075a

McIntosh, J., Hendry, M.J., Ballentine, C.J., Haszeldine, R.S., Mayer, B., Etiope, G., Elsner, M., Darrah, T.H., Prinzhofer, A., Osborn, S., Stalker, L., Kuloyo, O., Lu, Z., Martini, A., Sherwood Lollar, B. (2018). A critical review of state-of-the-art and emerging approaches to identify fracking-derived gases and associated contaminants in aquifers. Environmental Science and Technology, Vol. 53(3), pg. 1063-1077. DOI: 10.1021/acs.est.8b05807

Moore, M. T., Vinson, D. S., Whyte, C. J., Eymold, W. K., Walsh, T. B. and Darrah, T. H. (2018) Differentiating between biogenic and thermogenic sources of natural gas and hydrocarbon geochemistry. In: Lawson, M., Formolo, M. J., and Eiler, J. M. (eds) From Source to Seep: Geochemical Applications in Hydrocarbon Systems. Geological Society, London, Special Publications, 468(1), pg. 151-188. DOI: 10.1144/SP468.8.

Moortgat, J. (2018) Reservoir simulation with the cubic plus (cross-) association equation of state for water, CO2, hydrocarbons, and tracers. Adv. Water Res. (2018), 114(C), 29-44. doi:10.1016/j.advwatres.2018.02.004

Moortgat, J., Schwartz, F. and Darrah, T. H. (2018) Numerical modeling of methane leakage in fractured tight formations. Groundwater. Vol. 56(2), pg. 163-175. DOI:10.1111/gwat/12630

Rangharajan, K.K., Sundaram, P.M., Conlisk, A.T., Prakash, S. Surface Dependent Enhancement in Water Vapor Permeation through Nanochannels, Analyst, Volume 143, Issue 18, Pages 4256-4266.

Soltanian, M.R., Dai, Z., Yang, C., Amooie, M.A., Moortgat, J. (2018) Multicomponent competitive monovalent cation exchange in hierarchical porous media with multimodal reactive mineral facies. Stochastic Environ. Res. Risk Assess. 32(1), 295–310. doi:10.1007/s00477-017-1379-y.

Soltanian, M. R., Amooie, M. A., Cole. D. R., Darrah, T. H., Graham, D., Pfiffner, S. Phelps, T. J. and Moortgat, J. (2018) Impacts of methane on carbon dioxide storage in brine formations. Groundwater 56 (2) 176-186. doi: 10.1111/gwat.12633

Soltanian, M. R., Amooie, M. A., Cole. D. R., Graham, D., Hosseini, S. A., Hovorka, S., Pfiffner, S. Phelps, T. J. and Moortgat, J. (2018) Transport of perfluorocarbon tracers in the Cranfield geological carbon sequestration project. Greenhouse Gases: Sci. Tech.,



Albanese, K. A., Lanno, R. P., Hadad, C. M. and Chin, Y-P. (2017) Photolysis- and dissolved organic matter-induced toxicity of triclocarban to Daphnia magna. Environ. Sci. Technol. Lett. 4(11), 457–462. doi: 10.1021/acs.estlett.7b00429.

Amooie, M. A., Soltanian, M. R., Xiong, F., Dai, Z. and Moortgat, J. (2017) Mixing and spreading of multiphase fluids in heterogeneous bimodal porous media. Geomechan. Geophys. Geo-Energy Geo-Resources, 3(3), 225–244. doi:10.1007/s40948-017-0060-8.

Amooie, M. A., Soltanian, M. R. and Moortgat, J. (2017) Hydro-thermodynamic mixing of fluids across phases in porous media. Geophys. Res. Lett.  44(8), 3624-3634. doi:10.1002/2016GL072491.

Beckingham, L. E., Steefel, C. I., Swift, A. M., Voltolini, M., Yang, L., Anovitz, L. M., Sheets, J. M., Cole, D. R., Kneafsey, T. J., Mitnick, E. H., Zhang, S., Landrot, G., Ajo-Franklin, J., DePaolo,D., Mito, S. and Xue , Z. (2017) Evaluation of accessible mineral surface areas for improved prediction of mineral reaction rates in porous media. Geochim. Cosmchim. Acta 205, 31-49.

Booker, A. E., Borton, M. A., Dal,y R. A., Welch, S., Nicora, C. D., Hoyt, D. W., Wilson, T., Purvine, S. O., Sharma, S., Mouser, P. J., Cole, D. R., Lipton, M. S., Wrighton, K. C, and Wilkins, M. J. (2017) Sulfide generation by dominant colonizing Halanaerobium Mmcroorganisms in hydraulically fractured shales. mSphere, doi: 10.1128/mSphereDirect.00257-17

Booker, A. E., Johnston, M. D., Daly, R. A., Wrighton, K. C. and Wilkins, M. J. (2017) Draft genome sequences of multiple Frackibacter strains isolated from hydraulically fractured shale environments. ASM Genome Announcements. 5:32 e00608-17. doi: 10.1128/genomeA.00608-17

Bui, T., Phan, A. Cole, D. R. and Striolo, A. (2017) Transport mechanisms of guest methane in water-filled nano-pores. J. Phys. Chem. – C, 121, 15675-15686.

Cuoco, E., Colombani, N., Darrah, T. H., Mastrocicco, M. and Tedesco, D. (2017) Geolithological and anthropogenic controls on the hydrochemistry of the Volturno river (Southern Italy). Hydrologic. Proc., 31(3): 627-638.

Flemings, P. B., Boswell, R., Collett, T. S., Cook, A. E., Divins, D., Frye, M., Guerin, G., Goldberg D. S., Malinverno, A., Meazell, K., Morrison, J., Pettigrew, T., Philips, S. C., Santra, M., Sawyer, D. E., Shedd, W., Thomas, C. and You, K. (2017) GOM2: Prospecting, drilling and sampling coarse-grained hydrate reservoirs in the deepwater Gulf of Mexico. Proc. 9th Internat. Conf. Gas Hydrates, Denver, CO, June 25-30, 2017.

Fuest, M., Rangharajan, K. K., Boone, C., Conlisk, A. T. and Prakash, S. (2017) Cation dependent Surface charge regulation in gated nanofluidic devices. Anal. Chem., 89 (3), 1593-1601.

Gautam, S., Le, T., Striolo, A. and Cole, D.R. (2017) Molecular dynamics simulations of propane in slit shaped silica nano-pores: Direct comparison with quasielastic neutron scattering experiment. Phys. Chem. Chem. Phys. 19, 32320

Gautam, S., Ok, S. and Cole, D. R. (2017) Structure and dynamics of confined C-O-H fluids relevant to the subsurface: Application of magnetic resonance, neutron scattering and molecular dynamics simulations. Frontiers Earth Sci. 5, article 43, 1-19.

Goldberg, R. B., and Griffith, E. M. (2017) Strontium isotopes as a potential fingerprint of total dissolved solids associated with hydraulic-fracturing activities in the Barnett Shale, Texas. AAPG Environ. Geosci. 24, (4), 151-165. doi:10.1306/eg.06191716501

Grove, B. S., Walsh, T. B. and Darrah. T. H. (2017) Using radiogenic nobel gases to trace the conditions of crustal fluid migration. Procedia Earth Planet. Sci. 17(1) 818-821.

Harkness, J. S., Darrah, T. H., Warner, N. R., Whyte, C. J., Moore, M. T., Millot, R., Kloppmann, W., Jackson, R. B. and Vengosh, A. (2017) The geochemistry of naturally occurring methane and saline groundwater in an area of unconventional shale gas development. Geochim. Cosmochim. Acta. 208, 302-334.

Hillman, J. I. T., Cook, A. E., Daigle, H., Nole, M. O, Malinverno, A., Meazell, K. and Flemings, P. B., (2017) Gas hydrate reservoirs and gas migration mechanisms in the Terrebonne Basin, Gulf of Mexico. Marine and Petroleum Geology. doi:10.1016/j.marpetgeo.2017.07.029

Hillman, J. I. T., Cook, A. E., Sawyer, D. E., Küçük, H. M., and Goldberg, D. S. (2017) The character and amplitude of ‘discontinuous’ bottom-simulating reflections in marine seismic data. Earth Planet. Sci. Lett., 459.

Ilgen, A. G., Heath, J. E., Akkutlu, I. Y., Bryndzia, L. T., Cole, D. R., Kharaka, Y. K., Kneafsey, T. T., Milliken, K., Pyrak-Nolte, L. and Suarez-Rivwera, R. (2017) Shale at all scales: Exploring coupled processes in mudrocks. Earth-Sci. Rev. 166, 132-152.

Le, T., Striolo, A., Turner, C. H. and Cole, D. R. (2017) Confinement effects on carbon dioxide methanation: A novel mechanism for abiotic methane formation. Nature, Scientific Reports 7, Article number: 9021. doi:10.1038/s41598-017-09445-1

Le, T. T. B., Striolo, A., Gautam, S. and Cole, D. R. (2017) Propane-water mixtures confined within cylindrical silica nano-pores: Structural and dynamical properties probed by molecular dynamics. Langmuir - K. Gubbins Special Issue 33(42), 11310-11320.

Majumdar, U., Cook, A. E., Scharenberg, M. L., Burchwell, A. E., Ismail, S., Frye, M. and Shedd, W. (2017) Gas hydrate assessment from petroleum industry well logs in the northern Gulf of Mexico. Marine Petrol. Geol. doi:10.1016/j.marpetgeo.2017.05.009

Malinverno, A., Cook, A. E., Daigle, H., and Oryan, B., (2018) Glacial cycles influence marine methane hydrate formation. Geophys. Res. Lett. 45 (2), 724-732.

Minissale, A., Corti, G., Darrah, T. H., Tassi, F., Vaselli, O., Montegrossi, G., Yirgu, G., Selmo, E. and Teclu, A. (2017) Geothermal potential and origin of natural thermal fluids in the northern Lake Abaya area (Main Ethiopian Rife, East Africa). J Volcan. Geotherm. Res. Vol. 336. Pg. 1-19.

Moortgat, J. (2017) Adaptive implicit finite element methods for multicomponent compressible flow in heterogeneous and fractured porous media. Water Res. Res., 53(1), 73-92. doi:10.1002/2016WR019644.

Moortgat, J. and Firoozabadi, A. (2017) Water coning, water and CO2 injection in heavy oil fractured reservoirs. Society of Petroleum Engineering, Reservoir Evaluation & Engineering – Formation Evaluation, SPE-183648-PA, 20(1), 168-183. doi:10.2118/183648-PA.

Nole, M., Daigle, H., Cook, A. E., Hillman, J. I. T., and Malinverno, A., (2017) Linking basin-scale and pore-scale gas hydrate distribution patterns in diffusion-dominated marine hydrate systems. Geochemistry, Geophysics, Geosystems. 18, 653-675. doi: 10.1002/2016GC006662

Ok, S., Hoyt, D., Andersen, A., Sheets, J., Welch, S., Cole, D. R., Mueller, K. T. and Washton, N. M. (2017) Surface interactions and confinement of methane: A high pressure magic angle spinning NMR and computational chemistry study. Langmuir 33 (6), 1359–1367.

Rangharajan, K. K., Gerber, M. J. and Prakash, S. (2017) Effect of microstructure geometric form on surface shear stress. J. Fluids Eng., 139, (1), 011201-0112010-8

Sawyer D. E., Reece, R. S., Gulick, S. P. S. and Lenz, B. L. (2017), Submarine landslide and tsunami hazards offshore southern Alaska: Seismic strengthening versus rapid sedimentation, Geophs. Res. Lett., 44, doi: 10.1002/2017GL074537.

Soltanian, M. R., Sun, A. and Dai, Z. (2017) Reactive transport in a complex heterogeneous alluvial aquifer of Fortymile Wash, Nevada. Chemosphere, 179, 379-386.

Soltanian, M. R., Amooie, M. A., Gershenzon, N., Dai, Z., Ritzi, R., Xiong, F., Cole, D. R. and Moortgat, J. (2017) Dissolution trapping of carbon dioxide in heterogeneous aquifers. Environ. Sci. Tech., 51(13), 7732–7741. doi:10.1021/acs.est.7b01540.

Striolo, A. and Cole, D. R. (2017) Understanding shale gas: Recent progress and remaining challenges. Energy Fuels 31(10), 10300-10310.

Vengosh, A., Kondash, A., Harkness, J., Lauer, N., Warner, N. and Darrah, T. H. (2017) The geochemistry of hydraulic fracturing fluids. Procedia Earth Planet. Sci. 17, 21-24.

Wemple, B. C., Browning, T., Ziegler, A. D., Celi, J., Chun, K. P. (S)., Jaramillo, F., Leite, N. K., Ramchunder, S. J., Negishi, J. N., Palomeque, X. and Sawyer, D.E. (2017), Ecohydrological disturbances associated with roads: Current knowledge, research needs and management concerns with reference to the tropics, Ecohydrol., doi:10.1002/eco.1881.

Xiong, F., Li, P., Wang, X., Bi, H., Li, Y., Wang, Z., Amooie, M. A., Soltanian, M. R. and Moortgat, J. (2017) Pore structure of transitional shales in the Ordos Basin, NW China: Effects of composition on gas storage capacity. Fuel, 206, 504–515. doi:10.1016/j.fuel.2017.05.083.

Xiong, F. Wang, X., Jiang, Z., Amooie, M. A., Soltanian, M. R. and Moortgat, J. (2017) The shale gas sorption capacity of transitional shales in the Ordos Basin, NW China. Fuel, 208, 236–246. doi:10.1016/j.fuel.2017.07.030.