Interfacial Water Group
Princeton University
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Publications

Books

Tournassat C., Steefel C.I., Bourg I.C., Bergaya F. (Eds.) Natural and Engineered Clay Barriers, Developments in Clay Science, Vol. 6, Elsevier (2015).

Smit B., Reimer J.A., Oldenburg C.M., Bourg I.C. Introduction to Carbon Capture and Sequestration, The Berkeley Lectures on Energy, Vol. 1, Imperial College Press (2014).

DePaolo D.J., Cole D.R., Navrotsky A., Bourg I.C. (Eds) Geochemistry of Geologic CO2 Sequestration, Reviews in Mineralogy and Geochemistry, Vol. 77, Mineralogical Society of America (2013).

Peer-Reviewed Publications

Dazas B., Gilbert B., Bourg I.C. Dielectric spectroscopy of water and ions in clay interlayer nanopores from experiments and molecular dynamics simulations, in preparation.

Gadikota G., Dazas B., Rother G., Cheshire M.C., Bourg I.C. Hydrophobic solvation of gases (CO2, CH4, H2, noble gases) in clay interlayer nanopores. Journal of the American Chemical Society, in review (2017).

Bourg I.C., Ajo-Franklin J.B. Clay, water, and salt: Controls on the permeability of fine-grained sedimentary rocks. Accounts of Chemical Research, 50, 2067-2074 (2017).

Bourg I.C., Lee S.S., Fenter P., Tournassat C. Structure and energetics of the Stern layer at mica-water interfaces. Journal of Physical Chemistry C, 121, 9402-9412 (2017).

Lammers L.N., Bourg I.C., Okumura M., Kolluri K., Sposito G., Machida M. Molecular dynamics simulations of cesium adsorption on illite nanoparticles. Journal of Colloid and Interface Science 490, 608-620 (2017).

Tournassat C., Davis J.A., Chiaberge C., Grangeon S., Bourg I.C. Modeling the acid-base properties of montmorillonite edge surfaces. Environmental Science and Technology 50, 13436-13445 (2016).

Tournassat C., Bourg I.C., Holmboe M., Sposito G., Steefel C.I. Molecular dynamics simulations of anion exclusion in clay interlayer nanopores. Clays and Clay Minerals 64, 374-388 (2016).

Bacle P., Dufreche J.-F., Rotenberg B., Bourg I.C., Marry V. Modeling the transport of water and ionic tracers in a micrometric clay sample. Applied Clay Science 123, 18-28 (2016).

Tinnacher R.M., Holmboe M., Tournassat C., Bourg I.C., Davis J.A. Ion adsorption and diffusion in smectite: Molecular, pore, and continuum scale views. Geochimica et Cosmochimica Acta 177, 130-149 (2016).

Bourg I.C. Sealing shales versus brittle shales: A sharp threshold in the material properties and energy technology uses of fine-grained sedimentary rocks. Environmental Science and Technology Letters 2, 255-259 (2015).

Bourg I.C., Beckingham L., DePaolo D.J. The nanoscale basis of CO2 trapping for geologic storage. Environmental Science and Technology 49, 10265-10284 (2015).

Bourg I.C., Tournassat C. Self-diffusion of water and ions in clay barriers. In: Natural and Engineered Clay Barriers (C. Tournassat, C.I. Steefel, I.C. Bourg, F. Bergaya, eds.), Developments in Clay Science, Vol. 6, Elsevier, Chapter 6 (2015).

Tournassat C., Bourg I.C., Steefel C.I., Bergaya F. General surface properties of clay minerals. In: Natural and Engineered Clay Barriers (C. Tournassat, C.I. Steefel, I.C. Bourg, F. Bergaya, eds.), Developments in Clay Science, Vol. 6, Elsevier, Chapter 1 (2015).

Chagneau A., Tournassat C., Steefel C.I., Bourg I.C., Gaboreau S., Esteve I., Kupick T., Claret F., Schafer T. Complete restriction of 36Cl- diffusion by celestite precipitation in densely compacted illite. Environmental Science and Technology Letters 2, 139-143 (2015).

Holmboe M., Bourg I.C. Molecular dynamics simulations of water and sodium diffusion in smectite interlayer nanopores as a function of pore size and temperature. Journal of Physical Chemistry C 118, 1001-1013 (2014).

Eiler J.M., Bergquist B., Bourg I.C., Cartigny P., Farquhar J., Gagnon A.C., Guo W., Halevy I., Hofmann A.E., Levin N., Schauble E.A., Stolper D. Frontiers of stable isotope geoscience. Chemical Geology 372, 119-143 (2014).

Hamm L.M., Bourg I.C., Wallace A.F., Rotenberg B. Molecular simulation of CO2- and CO3-brine-mineral systems. In: Geochemistry of Geologic CO2 Sequestration (D.J. DePaolo, D.R. Cole, A. Navrotsky, I.C. Bourg, eds.), Reviews in Mineralogy and Geochemistry, Vol. 77, Mineralogical Society of America, pp. 189-228 (2013).

Hofmann A.E., Bourg I.C., DePaolo D.J. Ion desolvation as a mechanism for kinetic isotope fractionation in aqueous systems. Proceedings of the National Academy of Sciences of the U.S.A. 198, 18689-18694 (2012).

Bourg I.C., Steefel C.I. Molecular dynamics simulations of water structure and diffusion in silica nanopores. Journal of Physical Chemistry C 116, 11556-11564 (2012).

Nielsen L.C., Bourg I.C., Sposito G. Predicting CO2-water interfacial tension under pressure and temperature conditions of geologic CO2 storage. Geochimica et Cosmochimica Acta 81, 28-38 (2012).

Bourg I.C., Sposito G. Molecular dynamics simulations of the electrical double layer on smectite surfaces contacting concentrated mixed electrolyte (NaCl-CaCl2) solutions. Journal of Colloid and Interface Science 360, 701-715 (2011).

Bourg I.C., Sposito G. Ion exchange phenomena. In: Handbook of Soil Sciences, Properties and Processes, 2nd ed. (P.M. Huang, Y. Li, M.E. Sumner, eds.), CRC Press, Boca Raton, Chapter 16 (2011).

Bourg I.C., Sposito G. Connecting the molecular scale to the continuum scale for diffusion processes in smectite-rich porous media. Environmental Science and Technology 44, 2085-2091 (2010).

Bourg I.C., Richter F.M., Christensen J.N., Sposito G. Isotopic mass-dependence of alkali metal cation diffusion coefficients in water. Geochimica et Cosmochimica Acta 74, 2249-2256 (2010).

Bourg I.C., Sposito G. Isotopic fractionation of noble gases by diffusion in liquid water: Molecular dynamics simulations and hydrologic applications. Geochimica et Cosmochimica Acta 72, 2237-2247 (2008).

Bourg I.C., Sposito G., Bourg A.C.M. Modeling the diffusion of Na+ in compacted water-saturated Na-bentonite as a function of pore water ionic strength. Applied Geochemistry 23, 3635-3641 (2008).

Bourg I.C. Comment on "Modeling sulfur isotope fractionation and differential diffusion during sulfate reduction in sediments of the Cariaco Basin" by M.A. Donahue, J.P. Werne, C. Meile and T.W. Lyons. Geochimica et Cosmochimica Acta 72, 5852-5854 (2008).

Bourg I.C., Sposito G. Molecular dynamics simulation of kinetic isotope fractionation during the diffusion of ionic species in liquid water. Geochimica et Cosmochimica Acta 71, 5583-5589 (2007).

Bourg I.C., Sposito G., Bourg A.C.M. Modeling the acid-base surface chemistry of montmorillonite. Journal of Colloid and Interface Science 312, 297-310 (2007).

Bourg I.C., Sposito G., Bourg A.C.M. Modeling cation diffusion in compacted water-saturated Na-bentonite at low ionic strength. Environmental Science and Technology 41, 8118-8122 (2007).

Bourg I.C., Sposito G., Bourg A.C.M. Tracer diffusion in compacted water-saturated bentonite. Clays and Clay Minerals 54, 363-374 (2006).

About our research

Our group examines the fundamental properties of water at interfaces and their impact on chemistry, mechanics, and mass fluxes in natural systems. More

Recent publications

Ian's paper in ES&T reviews current knowledge of the basic science of CO2 trapping in geologic formations.

Ian's paper in ES&T Letters examines the permeability and mechanics of shale and mudstone. More

MD simulation workshop

Michael Holmboe, Laura Lammers, Karol Kulasinski, and Ian will lead a workshop on MD simulations of geochemical systems at the upcoming Goldschmidt Conference. More