Professor and Department Chair
Catalysis, Kinetics, Mass Transfer, and Molecular Modeling
Email: dbruce@clemson.edu
Phone: 864-656-5425
Office: 127 Earle Hall
EducationPh.D., Georgia Institute of Technology, 1994
B.S., Georgia Institute of Technology, 1992
B.S., Georgia Institute of Technology, 1991
Catalysis, Kinetics, Mass Transfer, and Molecular Modeling
Professor Bruce's principle research interests are in the areas of catalysis, kinetics, mass transfer, and molecular modeling. Some particular areas of interest include: the modeling driven development of heterogeneous catalysts for the dry reforming of methane, syngas conversion to alcohols, selective conversion of lignin and cellulose based sugars into high-value chemicals, and chiral epoxidation reactions important to the synthesis of pharmaceutical and agricultural products; development of supercritical water and sonochemical waste treatment and chemical conversion processes; prediction and measurement of diffusion phenomena in polymers and catalysts; and the prediction of structure-activity relationships for catalyst materials and chiral polymers via quantum mechanics and parallelized molecular dynamics methods.
Polo-Garzon, Felipe; Scott, Joseph K.; Bruce, David A., “Microkinetic Model for Dry Reforming of Methane on Rh Doped Pyrochlore Catalysts”, J. Catalysis, 340, 196-204 (2016). (DOI: 10.1016/j.jcat.2016.05.019)
Polo-Garzon, Felipe; Pakhare, Devendra; Spivey, James J.; Bruce, David A., “Dry Reforming of Methane on Rh Doped Pyrochlore Catalysts: A Steady-State Isotopic Transient Kinetic Study”, ACS Catal., 6, 3826−3833 (2016).
(DOI: 10.1021/acscatal.6b00666)
Polo-Garzon, Felipe; He, Ming; Bruce, David A., “Ab Initio Derived Reaction Mechanism for the Dry Reforming of Methane on Rh Doped Pyrochlore Catalysts”, J. Catalysis, 333, 59–70 (2016) (DOI: 10.1016/j.jcat.2015.10.017)
Spivey, James J.; Krishna, Katla Sai; Kumar, Challa S.S.R.; Dooley, Kerry M.; Flake, John C.; Haber, Louis H.; Xu, Ye; Janik, Michael J.; Sinnott, Susan B.; Cheng, Yu-Ting; Liang,Tao; Sholl, David S.; Manz, Thomas A.; Diebold, Ulrike; Parkinson, Gareth S.; Bruce, David A.; Jongh, Petra de, “Synthesis, Characterization, and Computation of Catalysts at the Center for Atomic-Level Catalyst Design”, J. Phys. Chem. C, 118, 20043−20069 (2014). (DOI: 10.1021/jp502556u)
Prieto, Gonzalo; Beijer, Steven; Smith, Miranda L.; Au, Yuen; Wang, Zi; He, Ming; Bruce, David A.; de Jong, Krijn P.; Spivey, James J.; de Jongh, Petra E. “Design and Synthesis of Copper-Cobalt Catalysts for the Selective Conversion of Synthesis Gas to Ethanol and Higher Alcohols”, Angewandte Chemie, 53(25), 6397–6401 (2014). (DOI: 10.1002/anie.201402680and 10.1002/ange.201402680)
Krishna, Katla Sai; He, Ming; Bruce, David A.; Kumar, Challa S. S. R., “The Enigma of Au21(SC2H4Ph)14 Nanocluster: A Synthetic Challenge”, Nanotechnology Reviews, 3(3), 311–317 (2014). (DOI: 10.1515/ntrev-2013-0038)
Klett, Adam S.; Mena, Sarah E.; Bruce, David A.; Thies, Mark C., “Liquid-Liquid Equilibrium Tie-line Compositions at Elevated Temperatures and Pressures for the I2-H2O and HI-I2-H2O Systems of the Sulfur-Iodine Cycle”, Int. J. Hydrogen Energy, 37, 15020-15028 (2012). (DOI: 10.1016/j.ijhydene.2012.08.005)
McAliley, James H.; Bruce, David A., "Development of force field parameters for molecular simulation of polylactide", Journal of Chemical Theory and Computation, 7(11), 3756–3767 (2011). (DOI: 10.1021/ct200251x)
Hosseini, Mahmoud Reza; Jalili, Nader; Bruce, David A., “Multiphysics Substrate Scale Modeling and Analysis of CVD-based Carbon Nanotube Fabrication Process” Journal of Computational and Theoretical Nanoscience, 8(7), 1226-1241 (2011). (DOI:10.1166/jctn.2011.1803)
Nguyen, Ha H.; McAliley, James H.; Batson, William R. III; Bruce, D.A., “Molecular Design of Functionalized meta-Polyphenylene Ethynylene Foldamers: From Simulation to Synthesis”, Macromolecules, 43(14), 5932-5942 (2010).
(DOI: http://dx.doi.org/10.1021/ma100746x)
López, Dora E.; Mullins, Joseph C.; Bruce, D.A., “Energy Life Cycle Assessment for the Production of Biodiesel from Rendered Lipids in the U.S.”, Ind. Eng. Chem. Res., 49(5), 2419–2432 (2010). (DOI: 10.1021/ie900884x)
Spivey, James J.; Krishna, Katla Sai; Kumar, Challa S.S.R.; Dooley, Kerry M.; Flake, John C.; Haber, Louis H.; Xu, Ye; Janik, Michael J.; Sinnott, Susan B.; Cheng, Yu-Ting; Liang, Tao; Sholl, David S.; Manz, Thomas A.; Diebold, Ulrike; Parkinson, Gareth S.; Bruce, David A.; Jongh, Petra de, “Synthesis, Characterization, and Computation of Catalysts at the Center for Atomic-Level Catalyst Design”, J. Phys. Chem. C, 118, 20043−20069 (2014). (DOI: 10.1021/jp502556u)
Prieto, Gonzalo; Beijer, Steven; Smith, Miranda L.; Au, Yuen; He, Ming; Bruce, David A.; Krijn, P. de Jong, Spivey, James J.; Petra E. de Jongh, “Design and Synthesis of Copper-Cobalt Catalysts for the Selective Conversion of Synthesis Gas to Ethanol and Higher Alcohols”, Angewandte Chemie, 53(25), 6397–6401 (2014). (DOI: 10.1002/anie.201402680 and 10.1002/ange.201402680)
Krishna, Katla Sai; He, Ming; Bruce, D.A.; Kumar, Challa S. S. R., “The Enigma of Au21(SC2H4Ph)14 Nanocluster: A Synthetic Challenge”, Nanotechnology Reviews, 3(3), 311–317 (2014). (DOI: 10.1515/ntrev-2013-0038)