David A. Bruce, Ph.D. -- Presentations

McAliley, J.; Bruce, D.A., “Molecular Mechanics Force Field Development For Biodegradable Polymers”, Research Symposium, U. South Carolina, April 12, 2007.

Li, XF.; O’Brien, C.P.; Collier, G.; Vellore. N.A.; Wang, F.; Bruce, D.A.; Dominy, B.N.; Stuart, S.J.; Latour, R.A., “An Improved Replica–Exchange Sampling Method: Temperature Intervals with Global Energy Reassignment (TIGER)”, 233rd ACS National Meeting, Chicago, IL, March 25-29, 2007.

O’Brien, C.P.; Bruce, D.A.; Latour, R.A., “Molecular Dynamics Simulations of Peptide Interactions with a Poly-L-Lactic Acid Surface”, SFB, 2006.

McAliley, J.; Bruce, D.A., " Prediction of Renewable Polymer Properties using Quantum and Molecular Modeling”, AIChE National Meeting, San Francisco, CA, Nov. 2006.

McAliley, J.; Bruce, D.A. “Prediction of Bulk Properties of Polylactides via Density Functional Theory and Implicit Solvation Models”,  BioPlastics 2006 - International Symposium on Bioplastics and Natural Fiber Composites, Montréal, Canada, September 27-29, 2006.

López, D.E.; Goodwin, J.G., Jr.; Bruce, D.A., “Effect of Hydrocarbon Chain Length on the Transesterification of Triglycerides with Methanol”, SECS, Asheville, Sept. 24-25, 2006.

Thies, M.; Crosthwaite, J.; Bruce, D., "Experimental Studies of the Iodine-Water System for the Sulfur-Iodine Thermochemical Cycle" Topical C: Hydrogen,  2006 Spring National AIChE Meeting, Orlando, FL

McAliley, J.; O’Brien, C.P.; Bruce, D.A., “Prediction of Renewable Polymer Properties using Quantum and Molecular Modeling”, AIChE National Meeting, Cincinnati, OH, Nov. 2005.

Suwannakarn, K; Lotero, E.; Goodwin, J.G., Jr.; Bruce, D. A., “Gas Phase Esterification on Solid Acid Catalysts”, AIChE National Meeting, Cincinnati, OH, Nov. 2005.

Lopez, D. E.; Lotero, E.; Suwannakarn, K.; Goodwin, J.G., Jr.; Bruce, D. A., “Transesterification of Triacetin and Esterification of Acetic Acid on Tungstated Zirconia”, AIChE National Meeting, Cincinnati, OH, Nov. 2005.

Liu, Y.; Lopez, D. E.; Lotero, E.; Goodwin, J.G., Jr.; Bruce, D. A. “Study of Biodiesel Forming Reactions Using Model Compounds and Acid Catalysts”, NAM – North American Catalysis Society, May 22-27, 2005.

Bruce, D. A.;  Castle, J.W.; Brame, S.E.; Falta, R.W. Jr.;  Murdoch, L.C.; Brooks, D. A., “Design and Feasibility of Using Acid to Dissolve  Carbonate Rock Formations for Creating Storage Caverns”, Clemson Hydrogeology Symposium, Clemson, SC, April 14, 2005.

Vining, W.; Bruce, D.A.; Mullins, J.C., “Biodiesel Process Modeling: Prediction of Thermodynamic Parameters”, AIChE Student Conference, New Orleans, March 10-12, 2005.

Foley, J.; Murdoch, L.C.; Castle, J.W.; Falta, R.W. Jr.; Bruce, D.A.; Brame, S.E., “Sensitivity Analysis Of Hydraulic Fracture Characteristics In Carbonate Formations Of The Appalachian Basin”, Geological Society of America, Northeastern Section,40th Annual Meeting, Saratoga Springs, New York, March 14–16, 2005.

Atteberry, J.T.; Brames, S.E.; Castle, J.W.; Bruce, D.A.; Falta, R.W. Jr.; Murdoch, L.C., “Integration of GIS Mapping and Regional Geology of Carbonate Formations in the Appalachian Basin”, Geological Society of America, Northeastern Section,40th Annual Meeting, Saratoga Springs, New York, March 14–16, 2005.

Lopez, D.E.; Goodwin, J.G. Jr.; Lotero, E.; Bruce, D.A., “Transesterification of Glycerol Triacetate with Methanol Over Acid and Base Catalysts”, AIChE National Meeting, Austin, TX, Nov. 2004.

Bruce, D.A.; O’Brien, C.; McAliley, J., “Molecular Modeling of Oxygen Diffusion in Biodegradable Polymers”, AIChE National Meeting, Austin, TX, Nov. 2004.

Bruce, D.A.; Adisa, B., “Replica Exchange Molecular Dynamics Modeling of Foldamers”, AIChE National Meeting, Austin, TX, Nov. 2004.

Bruce, D.A.; Castle, J.W., “Design and Feasibility of Creating Gas Storage Caverns by Using Acid to Dissolve Carbonate Rock Formations”, Clemson University, Geology Department, Oct. 22, 2004.

Lopez, D.E.; Goodwin, J.G. Jr.; Lotero, E.; Bruce, D.A., “Transesterification of Glycerol Triacetate with Methanol on Acid and Base Catalysts”, Southeastern Catalysis Society, Fall Symposium, Asheville, NC, September 26-27, 2004.

Suwannakarn, K.; Goodwin, J.G. Jr.; Lotero, E.; Bruce, D.A., “Esterification of Acetic acid with Methanol on Solid Acid Catalysts”, Southeastern Catalysis Society, Fall Symposium, Asheville, NC, September 26-27, 2004

Castle, J.W.; Bruce, D.A.; Brame, S.E.; Brooks, D.; Falta, R.W.; Murdoch, L.C., “Design and Feasibility of Creating Gas Storage Caverns by Using Acid to Dissolve Carbonate Rock Formations”, Eastern Regional Meeting of SPE(petroleum), Charleston, WV, Sept. 15-17, 2004.

Bruce, D.A.; Rogers, M.; Adisa, B., “Synthesis and Characterization of Dendrimer and Foldamer Templated Titanosilicate Oxidation Catalysts”, Gordon Research Conference – Catalysis, New London, NH, June 27-July 2, 2004.

Switzer, D. M., Bruce, D. A., Gooding, C. H., Harrison, G. M., Hirt, D. E., Husson, S. M., Kilbey II, S. M., and Rice, R. W., “A Professional Development Survey for Engineering Undergraduates,” ASEE Annual Conference, Salt Lake City, June 20-23, 2004.

Hirt, D. E., Cox, C. L., Bruce, D. A., Gooding, C. H., Harrison, G. M., Husson, S. M., Kilbey II, S. M., Rice, R. W., and Switzer, D. M., “Using a Hierarchical Model of Cognition to Enhance Polymer Education,” SPE ANTEC, Chicago, May 16-20, 2004.

Bruce, D.A., “Biodegradable and Renewable Resource Polymers”, AIChE-SC Upstate Local Section, April 15, 2004.

Adisa, B.; Bruce, D.A., “Molecular Modeling of Aqueous Solutions of Phenyleneethynylene Oligomers: Prediction of Helices Formation”, poster, Molecular Modeling of Macromolecules, ACS-Polymer Div., Hilton Head, SC, March 17-20, 2004.

O’Brien, C.P.; Bruce, D.A., “Parameterization of GROMACS for Polylactic Acid”, poster, Molecular Modeling of Macromolecules, ACS-Polymer Div., Hilton Head, SC, March 17-20, 2004.

O’Brien, C.P.; Thies, M.C.; Bruce, D.A., “Supercritical Water oxidation of the PCB Congener 2-Chlorobiphenyl: A Kinetic Analysis”, Division of Environmental Chemistry, 226th ACS National Meeting, New York, September 7-11, 2003.

Hirt, D. E., Bruce, D. A., Gooding, C. H., Harrison, G. M., Husson, S. M., Kilbey II, S. M., Rice, R. W. and Switzer, D. M., “Assessing a Hierarchical Cognitive Model Applied to Engineering Undergraduates,” poster, NSF Engineering and Computing Education Grantees Conference, Washington, D.C., September 21-23, 2003.

Adisa, B.; Rogers, M.C.; Bruce, D.A., “Synthesis and Characterization of Dendrimer Templated Mesoporous Titanosilicate Oxidation Catalysts”, North American Catalysis Soc., Cancun, June 1-6, 2003.

Bruce, D., “Molecular Dynamics Simulations of Discotic Polynuclear Aromatic Hydrocarbons: Predictions of Oxygen Diffusivity”, invited lecture, University of Tennessee, Chemical Engineering, Jan. 28, 2003.

Bruce, D., “Synthesis and Characterization of Dendrimer Templated Titanosilicate Oxidation Catalysts”, invited lecture, University of South Carolina, Chemical Engineering, Nov. 15, 2002.

Roger, M.; Adisa, B.; Bruce, D., “Synthesis and Characterization of Dendrimer Templated Mesoporous Titanosilicate Oxidation Catalysts”, poster, AIChE Annual Meeting, Indianapolis, IN, Nov. 2002.

O’Brien, C.; Bruce, D., “Oxidative Decomposition Kinetics for 2-Chlorobiphenyl and Methanol in Supercritical Water” AIChE Annual Meeting, Indianapolis, IN, Nov. 2002

Husson, S. M., Bruce, D. A., Gooding, C. H., Harrison, G. M., Hirt, D. E., Kilbey II, S. M., Rice, R. W. and Switzer, D. M., “Applying and Assessing a Hierarchical Model of Mental Growth to Educate Undergraduate Engineering Students,” presented at the ASEE/SEFI/TUB International Colloquium, Berlin, October 1-4, 2002.

Hirt, D. E., Bruce, D. A., Gooding, C. H., Harrison, G. M., Husson, S. M., Kilbey II, S. M., Rice, R. W. and Switzer, D. M., “Applying a Hierarchical Model of Mental Growth to Educate Undergraduate Engineering Students,” presented at NSF Engineering and Computing Education Grantees Conference, Washington, D.C., Sept. 30-Oct. 1, 2002.

Adisa, B.; Bruce, D.A.; Howard, C.G.; Rogers, C.M., “Synthesis and Characterization of Dendrimer Templated Titanosilicate Oxidation Catalysts”, Gordon Research Conference on Catalysis, New London, NH, June 2002.

Adisa, B.; Bruce, D.A.; Rogers, C.M., “Synthesis and Characterization of Dendrimer Templated Titanosilicate Oxidation Catalysts”, Southeastern Catalysis Society, Clemson, SC, May 2002.

B. Adisa, M.C. Rogers, and D.A. Bruce, “Synthesis and Catalytic Properties of Dendrimer-Templated Oxidation Catalysts with Varying Pore Sizes”, Southeastern Catalysis Society, Clemson, SC, May 2002.

Bruce, D.A.; Howard, C.G.; Rogers, C.M., “Synthesis and Characterization of Dendrimer-Templated Titanosilicate Oxidation Catalysts”, AIChE Annual Meeting, Reno, NV, Nov. 2001.

Majkrzak, B.; Bruce, D.A.; Thies, M.C., “A Noninvasive Apparatus for Measuring the Solubility of PCB Congeners in Hot Water”, AIChE Annual Meeting, Reno, NV, Nov. 2001.

Husson, S.; Hirt, D.E.; Bruce, D.A.; Gooding, C.H.; Haile, J.M.; Harrison, G.M.; Kilbey II, S.M.; Rice, R.W.; Switzer, D.M., “Applying a Hierarchical Model of Mental Growth to Educate Undergraduate Engineering Students”, poster presented at AIChE Annual Meeting, Reno, NV, Nov. 2001.

Matthews, M.A.; Weidner, J.W.; Thies, M.C.; Bruce, D.A.; Hamilton, E.A.; Oji, L., Pickett, J.; Lowery, N., “Extraction and Oxidation of PCBs from Mixed Low-Level Solid Waste at DOE Sites”. 222nd ACS National Meeting, Chicago, IL, August 2001.

Bruce, D.A.; Nareddy, A., “Dynamics of Sonochemical Reactors”, AIChE, Los Angeles, CA, Nov. 2000.

Bruce, D.A.; Howard, C.G., “Synthesis of Mesoporous Sieves using Dendritic Polymer Templates”, poster, Gordon Research Conference, Catalysis, New London, NH, June 2000.

Kesterson, M.R.; Ogale, A.A.; Bruce, D.A., “Property Prediction of Coronene and Mesophase Structures”, EUROCARBON 2000, 1st World Conference on Carbon, Berlin, Germany, July 2000.

Matthews, M.A.; Bruce, D.; Thies, M.  “Decontamination and Decommissioning of PCB Sites at DOE: Extraction, Electrokinetics, and Hydrothermal Oxidation”, poster, EMSP National Workshop, Atlanta, GA, April 2000.

Bruce, D.A.; Howard, C.G., “Synthesis of Mesoporous Sieves using Dendrimer Templates”, AIChE, Dallas, TX, Nov. 1999.

Bruce, D.A.; Dolan, H.A.; Nareddy, A., “Prediction of Sonochemical Oxidation Rates for Organic Contaminants in Water”, poster, AIChE, Dallas, TX, Nov. 1999.

Bruce, D.A.; Dolan, H.A.; Haseltine, E.L.; Nareddy, A., “Diffusional Effects on the Sonochemical Oxidation of Organic Contaminants in Wastewater”, AIChE, Dallas, TX, Nov. 1999.

Haseltine, E.L.; Bruce, D.A., “Elimination of Organic Contaminants from Wastewater via Ultrasound”, AIChE, USC, Columbia, SC, April 1999

Pickett, J.; Oji, L.; Matthews, M.; White, R.; Weidner, J.; Bruce, D.; Thies, M., ”Decontamination & Decommissioning of PCB Sites at SRS”, poster, Workshop On Intergration of End User Needs with Research Projects, DOE-Environmental Management Science Program, Savannah River Site, November 17-18, 1998.

Dolan, H.A.; Schmitz, H.W.; Bruce, D.A., "Sonochemical Oxidation of Organic Contaminants in Waste Water", AIChE, Miami, FL, Nov. 1998.

Bruce, D.A.; Mack, S.D., “Synthesis of Chiral Molecular Sieves using Chiral Metal Complexes as Templates”, ACS, Orlando, FL, August 1996.

Bruce, D.A.; Bertrand, J.A.; Wilkinson, A.P.; White, M.G., “Synthesis and Characterization of Chiral Aluminum Phosphates”, ACS, Orlando, FL, August 1996.

Bertrand, J.A.; Bruce, D.A.; Choksi, H.; White, M.G., "Supported Copper Oxide Catalysts Prepared from Polynuclear Metal Complexes", ACS, Orlando, FL, August 1996.

Wilkinson, A.P.; Bruce, D.A.; Gray, M.J.; Stalder, S.M.; White, M.G., “Chiral Metal Complexes as Templates for the Synthesis of Novel Aluminophosphate and Gallophosphate Materials”, ACS, Orlando, FL, August 1996.

Wilkinson, A.P.; Bruce, D.A.; Gray, M.J.; Stalder, S.M.; White, M.G., “The Synthesis and Catalytic Properties of Some Chiral Layered and 3D Framework Materials Prepared using Metal Complex Templates”, MRS, San Francisco, CA, April 1996.

Bertrand, J.A.; Bruce, D.A.; Wilkinson, A.P.; Dai, E.P.; Petty, R.H.; White, M.G., "Microporous Crystalline Solids Synthesized Using Chiral Transition Metal Complexes as Templates", ORCS, Atlanta, GA, April 1996.

Bruce, D.A., "Synthesis and Characterization of Novel Microporous Crystalline Solids Containing Transition Metal Complexes", Clemson University, Department of Chemistry, Clemson, SC, March 1996.

Bruce, D.A.; Bertrand, J.A.; White, M.G.; Dai, E.; Petty, R., “Novel Microporous Crystalline Solids Synthesized from Transition Metal Complexes Acting as Templates”, AIChE, Miami, FL, November 1995.

Bruce, D.A.; Bertrand, J.A.; White, M.G.; Wilkinson, A.P., "The Design of Microporous Solids Using Metal Complexes as Templating Agents: Preparation, Structure, and Characterization", poster, Gordon Research Conference, Zeolitic & Layered Materials, Plymouth, NH, June 1995.

Bruce, D.A., "Synthesis and Characterization of Novel Microporous Crystalline Solids Containing Transition Metal Complexes", Argonne National Laboratory, Argonne, IL, May 1995.

Bruce, D.A.; Bertrand, J.A.; Occelli, M.L.; White, M.G.; Mertens, F., "The Design of Microporous Crystalline Solids using Metal Complexes as Templating Agents", ORCS, Phoenix, Arizona, May 1994.

Bruce, D.A.; Bertrand, J.A.; White, M.G.; Mertens, F.," The Design of Microporous Crystalline Solids Using Metal Complexes as Templating Agents: Preparation, Structure, and Characterization", AIChE, Atlanta, GA, April 1994.

Bruce, D.A.; Bertrand, J.A.; White, M.G.; Mertens, F., "Synthesis of Microporous Solids containing Encapsulated Metal Complexes", poster, Gordon Research Conference, Catalysis, New London, NH, June 1993.

Bruce, D.A., "Synthesis and Characterization of Supported Metal Complexes", AIChE, FIT, Melbourne, FL, April 1990.

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