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Research Output

2019

Assessment of Modeling Uncertainties Using a Multistart Optimization Tool for Surface Complexation Equilibrium Parameters (MUSE)

Bompoti, N. M., Chrysochoou, M. & Machesky, M. L., Apr 18 2019, In : ACS Earth and Space Chemistry. 3, 4, p. 473-483 11 p.

Research output: Contribution to journalArticle

A Unified Surface Complexation Modeling Approach for Chromate Adsorption on Iron Oxides

Bompoti, N. M., Chrysochoou, M. & Machesky, M. L., Jun 4 2019, In : Environmental Science and Technology. 53, 11, p. 6352-6361 10 p.

Research output: Contribution to journalArticle

Experimentation and modeling of surface chemistry of the silica-water interface for low salinity waterflooding at elevated temperatures

Duffy, T. S., Raman, B., Hall, D. M., Machesky, M. L., Johns, R. T. & Lvov, S. N., Jun 5 2019, In : Colloids and Surfaces A: Physicochemical and Engineering Aspects. 570, p. 233-243 11 p.

Research output: Contribution to journalArticle

Oxalic Acid Adsorption on Rutile: Experiments and Surface Complexation Modeling to 150 °c

MacHesky, M. L., Ridley, M. K., Biriukov, D., Kroutil, O. & Předota, M., Jun 18 2019, In : Langmuir. 35, 24, p. 7631-7640 10 p.

Research output: Contribution to journalArticle

Oxalic Acid Adsorption on Rutile: Molecular Dynamics and ab Initio Calculations

Biriukov, D., Kroutil, O., Kabeláč, M., Ridley, M. K., MacHesky, M. L. & Předota, M., Jun 18 2019, In : Langmuir. 35, 24, p. 7617-7630 14 p.

Research output: Contribution to journalArticle

2018

Adsorption of molecular and atomic ions on rutile surfaces from simulations using scaled charges

Biriukov, D., Predota, M., Kroutil, O., Kabelac, M., Ridley, M. & Machesky, M., 2018.

Research output: Contribution to conferencePaper

Adsorption of oxalic acid on rutile surfaces

Biriukov, D., Predota, M., Kroutil, O., Ridley, M. & Machesky, M., 2018.

Research output: Contribution to conferencePaper

Carbonate adsorption on ferrihydrite under atmospheric conditions: Experimental and modeling

Bompoti, N., Chrysochoou, M., Villalobos, M. & Machesky, M., 2018.

Research output: Contribution to conferencePaper

Dave, Don, Moira, me and the HECC

Machesky, M., 2018.

Research output: Contribution to conferencePaper

Occurrence and Fate of the Herbicide Glyphosate in Tile Drainage and Receiving Rivers in East Central Illinois

Zheng, W., Scott, J. W., Holm, N. & Machesky, M. L., Nov 2018, Champaign, IL: Illinois Sustainable Technology Center. (TR Series (Illinois Sustainable Technology Center); no. TR-070)

Research output: Book/Report/Conference proceedingTechnical report

Occurrence and Fate of the Herbicide Glyphosate in Tile Drainage and Receiving Rivers in East Central Illinois

Zheng, W., Scott, J. W., Holm, N. & Machesky, M. L., Nov 2018, Champaign, IL: Illinois Sustainable Technology Center. 36 p. (ISTC Reports; no. TR-070)

Research output: Book/Report/Conference proceedingTechnical report

S(t)imulating collaboration with Dave Wesolowski: From alpha (rutile) to zeta (potential)

Predota, M., Machesky, M., Wesolowski, D. J. & Cummings, P., 2018.

Research output: Contribution to conferencePaper

The MUSE: A multi- start optimization algorithm for surface complexation parameters in complex systems

Chrysochoou, M., Bompoti, N. & Machesky, M., 2018.

Research output: Contribution to conferencePaper

Towards a unified thermodynamic sorption database; uranium (VI) and chromate (VI) adsorption on iron oxides

Bompoti, N., Chrysochoou, M. & Machesky, M., 2018, V.M. Goldschmidt Conference - Program and Abstracts. Vol. 28.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

2017

A Combined Flow Microcalorimetry and Surface Complexation Modeling Study of Ion Exchange Thermodynamics at the Rutile-Water Interface

Kabengi, N., Hawkins, T., Allen, N., Machesky, M. L. & Wesolowski, D. J., 2017, Goldschmidt 2017 Abstracts.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Alkali Metal Cation Adsorption on Oxide Surfaces

Machesky, M. L., Predota, M., Kabengi, N. & Wesolowski, D., 2017, Goldschmidt 2017 Abstracts.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Calorimetric study of alkali and alkaline-earth cation adsorption and exchange at the quartz-solution interface

Allen, N., Machesky, M. L., Wesolowski, D. J. & Kabengi, N., Oct 15 2017, In : Journal of Colloid And Interface Science. 504, p. 538-548 11 p.

Research output: Contribution to journalArticle

Ion Exchange Thermodynamics at the Rutile-Water Interface: Flow Microcalorimetric Measurements and Surface Complexation Modeling of Na-K-Rb-Cl-NO3 Adsorption

Hawkins, T., Allen, N., Machesky, M. L., Wesolowski, D. J. & Kabengi, N., May 23 2017, In : Langmuir. 33, 20, p. 4934-4941 8 p.

Research output: Contribution to journalArticle

Iron Oxides Reactivity: A Unified Surface Complexation Modeling Approach

Bompati, N., Hawkins, M. & Machesky, M. L., 2017, Goldschmidt 2017 Abstracts.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Surface Complexation Modeling for Chromate Adsorption on Al – Ferrihydrite

Chrysochoou, M., Bompoti, N. & Machesky, M. L., 2017, Goldschmidt 2017 Abstracts.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Surface structure of ferrihydrite: Insights from modeling surface charge

Bompoti, N., Chrysochoou, M. & Machesky, M., Aug 5 2017, In : Chemical Geology. 464, p. 34-45 12 p.

Research output: Contribution to journalArticle

2016

A comparative thermochemical study of ion exchange at metal oxides-solution interfaces using flow microcalorimetry

Kabengi, N., Allen, N., Hawkins, T. & Machesky, M., 2016, Goldschmidt abstracts 2016. Vol. 26. p. 1395

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Advances in Surface Complexation Modeling for Chromium Adsorption on Iron Oxide

Bompoti, N., Chrysochoou, M. & Machesky, M., Jan 1 2016, In : Geotechnical Special Publication. 2016-January, 273 GSP, p. 1-11 11 p.

Research output: Contribution to journalConference article

Molecular Origins of the Zeta Potential

Předota, M., Machesky, M. L. & Wesolowski, D. J., Oct 11 2016, In : Langmuir. 32, 40, p. 10189-10198 10 p.

Research output: Contribution to journalArticle

2015

Constrained Surface Complexation Modeling: Rutile in RbCl, NaCl, and NaCF3SO3 Media to 250 °C

Machesky, M. L., Předota, M., Ridley, M. K. & Wesolowski, D. J., Jul 9 2015, In : Journal of Physical Chemistry C. 119, 27, p. 15204-15215 12 p.

Research output: Contribution to journalArticle

Experimental study of strontium adsorption on anatase nanoparticles as a function of size with a density functional theory and CD model interpretation

Ridley, M. K., Machesky, M. L. & Kubicki, J. D., Jan 20 2015, In : Langmuir. 31, 2, p. 703-713 11 p.

Research output: Contribution to journalArticle

2014

Adsorption of zwitterionic fluoroquinolone antibacterials to goethite: A charge distribution-multisite complexation model

Paul, T., Liu, J., Machesky, M. L. & Strathmann, T. J., Aug 15 2014, In : Journal of Colloid And Interface Science. 428, p. 63-72 10 p.

Research output: Contribution to journalArticle

Dielectric properties of water at rutile and graphite surfaces: Effect of molecular structure

Parez, S., Předota, M. & Machesky, M., Mar 6 2014, In : Journal of Physical Chemistry C. 118, 9, p. 4818-4834 17 p.

Research output: Contribution to journalArticle

Sorption of Polycyclic Aromatic Hydrocarbons (PAHs) to Biochar and Estimates of PAH Bioavailability

Holm, T. R., Machesky, M. L. & Scott, J. W., Dec 2014, Champaign, IL: Illinois Sustainable Technology Center. (RR Series (Illinois Sustainable Technology Center); no. 124)

Research output: Book/Report/Conference proceedingTechnical report

2013

Anatase nanoparticle surface reactivity in NaCl media: A CD-MUSIC model interpretation of combined experimental and density functional theory studies

Ridley, M. K., Machesky, M. L. & Kubicki, J. D., Jul 9 2013, In : Langmuir. 29, 27, p. 8572-8583 12 p.

Research output: Contribution to journalArticle

Electric double layer at the rutile (110) surface. 4. effect of temperature and ph on the adsorption and dynamics of ions

Předota, M., Machesky, M. L., Wesolowski, D. J. & Cummings, P. T., Nov 7 2013, In : Journal of Physical Chemistry C. 117, 44, p. 22852-22866 15 p.

Research output: Contribution to journalArticle

Integrated computational and experimental studies of mineral/aqueous interfaces

Cummings, P. T., Vlcek, L., Rother, G., Wesolowski, D. J., Skelton, A. A., Predota, M., Hlusak, S., Wei, M-J. & Machesky, M. L., 2013, Abstracts of Papers of the American Chemical Society. Vol. 245.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Ion adsorption on nanocrystalline anatase surfaces: integrating experimental and theoretical studies through surface complexation modeling

Ridley, M., Kubicki, J. & Machesky, M. L., 2013, Mineralogical Magazine. Vol. 76. p. 2285

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Structure and dynamics of the first few layers of water on rutile-structured TiO2 and SnO2 (110) surfaces of bulk crystals and nanoparticles: Progress and controversy [abstract]

Wesolowski, D. J., Wang, H-W., Wang, W., Mamontov, E., Vlcek, L., Kent, P. R., Rother, G., Banuelos, J. L., Proffen, T., Kolesnikov, A. I., Sofo, J. O., Kumar, N., Machesky, M. L., Predota, M. & Cummings, P. T., 2013, Abstracts of Papers of the American Chemical Society. Vol. 245.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Surface complexation modeling of Na + and Rb+ adsorption by rutile to 250℃

Machesky, M. L., Predota, M., Ridley, M. & Wesolowski, D., 2013, Mineralogical Magazine. Vol. 76. p. 2050

Research output: Chapter in Book/Report/Conference proceedingConference contribution

2012

Comment on "structure and dynamics of liquid water on rutile TiO 2(110)"

Wesolowski, D. J., Sofo, J. O., Bandura, A. V., Zhang, Z., Mamontov, E., Předota, M., Kumar, N., Kubicki, J. D., Kent, P. R. C., Vlcek, L., MacHesky, M. L., Fenter, P. A., Cummings, P. T., Anovitz, L. M., Skelton, A. A. & Rosenqvist, J., Apr 5 2012, In : Physical Review B - Condensed Matter and Materials Physics. 85, 16, 167401.

Research output: Contribution to journalReview article

Surface complexation of the zwitterionic fluoroquinolone antibiotic ofloxacin to nano-anatase TiO2 photocatalyst surfaces

Paul, T., MacHesky, M. L. & Strathmann, T., Nov 6 2012, In : Environmental Science and Technology. 46, 21, p. 11896-11904 9 p.

Research output: Contribution to journalArticle

Surface speciation of yttrium and neodymium sorbed on rutile: Interpretations using the charge distribution model

Ridley, M. K., Hiemstra, T., Machesky, M. L., Wesolowski, D. J. & van Riemsdijk, W. H., Oct 15 2012, In : Geochimica et Cosmochimica Acta. 95, p. 227-240 14 p.

Research output: Contribution to journalArticle

Temperature, charge and radius dependence of mulitvalent cation adsorption on rutile (TiO2) in aqueous 1:1 electrolytes

Wesolowski, D., Machesky, M. L., Ridley, M. & Predota, M., 2012, Mineralogical Magazine. Vol. 76. p. 2536

Research output: Chapter in Book/Report/Conference proceedingConference contribution

2011

Comparison of cation adsorption by isostructural rutile and cassiterite

MacHesky, M., Wesolowski, D., Rosenqvist, J., Předota, M., Vlcek, L., Ridley, M., Kohli, V., Zhang, Z., Fenter, P., Cummings, P., Lvov, S., Fedkin, M., Rodriguez-Santiago, V., Kubicki, J. & Bandura, A., Apr 19 2011, In : Langmuir. 27, 8, p. 4585-4593 9 p.

Research output: Contribution to journalArticle

Degradation kinetics and mechanism of antibiotic ceftiofur in recycled water derived from a beef farm

Li, X., Zheng, W., MacHesky, M. L., Yates, S. R. & Katterhenry, M., Sep 28 2011, In : Journal of Agricultural and Food Chemistry. 59, 18, p. 10176-10181 6 p.

Research output: Contribution to journalArticle

2010

Adsorption of strontium at nano- and micro-crystalline titanium-dioxide interfaces: Interpreting surface speciation using charge distribution and the MUSIC model

Ridley, M. K., Machesky, M. L. & Wesolowski, D. J., 2010, Geochimica et Cosmochimica Acta. PERGAMON-ELSEVIER SCIENCE LTD, Vol. 74. p. A870

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Imaging ion adsorption with total external reflection X-ray standing waves

Kohli, V., Fenter, P., Libera, J. A., Elam, J. W., Liu, C., Rosenqvist, J., Bedzyk, M. J., Machesky, M. L. & Wesolowski, D. J., 2010, Geochimica et Cosmochimica Acta. PERGAMON-ELSEVIER SCIENCE LTD, Vol. 74. p. A527--A527

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Molecular dynamics simulations of rutile/aqueous solution interface

Předotav, M., Wesolowski, D. J., Machesky, M. L. & Cummings, P. T., Jan 1 2010, Water-Rock Interaction. CRC Press, p. 815-818 4 p.

Research output: Chapter in Book/Report/Conference proceedingChapter

Molecular dynamics simulations of rutile/aqueous solution interface

Předota, M., Wesolowski, D. J., MacHesky, M. L. & Cummings, P. T., Dec 1 2010, Water-Rock Interaction - Proceedings of the 13th International Conference on Water-Rock Interaction, WRI-13. p. 815-818 4 p. (Water-Rock Interaction - Proceedings of the 13th International Conference on Water-Rock Interaction, WRI-13).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Phosphorus speciation in stream bed sediments from an agricultural watershed: Solid-phase associations and sorption behavior

Machesky, M. L., Holm, T. R. & Slowikowski, J. A., May 6 2010, In : Aquatic Geochemistry. 16, 4, p. 639-662 24 p.

Research output: Contribution to journalArticle

2009

Adsorption of ions on zirconium oxide surfaces from aqueous solutions at high temperatures

Palmer, D. A., MacHesky, M. L., Bénézeth, P., Wesolowski, D. J., Anovitz, L. M. & Deshon, J. C., Jul 1 2009, In : Journal of Solution Chemistry. 38, 7, p. 907-924 18 p.

Research output: Contribution to journalArticle

Charging properties of cassiterite (α-SnO2) surfaces in NaCl and RbCl ionic media

Rosenqvist, J., Machesky, M. L., Vlcek, L., Cummings, P. T. & Wesolowski, D. J., Sep 15 2009, In : Langmuir. 25, 18, p. 10852-10862 11 p.

Research output: Contribution to journalArticle

Effect of amines on the surface charge properties of iron oxides

Bénézeth, P., Wesolowski, D. J., Palmer, D. A. & MacHesky, M. L., Jul 1 2009, In : Journal of Solution Chemistry. 38, 7, p. 925-945 21 p.

Research output: Contribution to journalArticle