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David A. Bruce, Ph.D.

David A. BruceProfessor and Department Chair
Catalysis, Kinetics, Mass Transfer, and Molecular Modeling
Phone: 864-656-5425
Office: 127 Earle Hall

David Bruce with studentsEducation

Ph.D., Georgia Institute of Technology, 1994
B.S., Georgia Institute of Technology, 1992
B.S., Georgia Institute of Technology, 1991

Research Interests:

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.

Selected Publications

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)

Nguyen, Ha H.; McAliley, James H.; Bruce, D.A., “Water Soluble Meta-Poly(Phenylene Ethynylene) Oligomers with Stable Helical Secondary Structure”, Journal of Polymer Science Part A: Polymer Chemistry, 50, 2019-2028 (2012). (DOI: 10.1002/pola.25976)

Klett, Adam S.; Mena, Sarah E.; Bruce, D.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, D.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, D.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.; Bruce, D.A., “Controlling the m-Poly(phenylene ethynylene) Helical Cavity Environment: Hydrogen Bond Stabilized Helical Structures”, Macromolecules, 44(1), 60-67 (2011). (DOI: 10.1021/ma101514c)

Vaidya, Chatura Suhas; Vinciguerra, J. (DJO Surgical); Bruce, D.A.; Alvarez, Estefania ; DesJardins, John D., “Reduction of Total Knee Replacement Wear with Vitamin E Doped Highly CrossLinked UHMWPE”, Proc. Inst. Mechan. Eng., Part H, J. Eng. Med., 225(1), 1-7 (2011). (DOI: 10.1243/09544119JEIM774)

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: 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).

Cristadoro, Anna; Kulkarni, Sourabh U.; Burgess, Ward A.; Cervo, Eduardo G.; Räder, Hans Joachim; Müllen, Klaus; Bruce, D.A.; Thies, Mark C., "Structural Characterization of the Oligomeric Constituents of Petroleum Pitches", Carbon, 47, 2358-2370 (2009).

Hosseini, Mahmoud Reza; Jalili, Nader; Bruce, D.A., "A Time-Dependent Multiphysics, Multiphase Modeling for Carbon Nanotube Synthesis using CVD", AIChE J., 55(12), 3152-3167 (2009). (DOI 10.1002/aic.11959)