William Rogers

William J. Rogers
Laboratory Director
Mary Kay O’Connor Process Safety Center
TEES Research Scientist
Chemical Engineering Department
Texas A&M University
College Station, Texas 77843-3122
979-845-3330, phone
979-845-6446, fax
wjrogers@tamu.edu

Education

Ph.D. in Physical Chemistry, Ohio State University, Columbus, Ohio, 1976
B.A., College of Wooster, Wooster, Ohio, 1962

Professional Experience

TEES Research Scientist, Chemical Eng. Dept., Texas A&M University, 2002
Laboratory Director, Mary Kay O’Connor Process Safety Center, 1999
Research Scientist, Mary Kay O’Connor Process Safety Center, 1999
Visiting Scientist, Instittutet for Kemiteknik, Lyngby, Denmark, 1985
Asst. Res. Scientist, Chemical Eng. Dept., Texas A&M University, 1983
Eng. Res. Associate, Chemical Eng. Dept., Texas A&M University, 1979 - 1983
Research Associate, Ohio State University, 1977 - 1978

Professional Affiliation

American Institute of Chemical Engineers

Research Area

Estimations of thermophysical and thermochemical properties
Assessment, measurements, and models of chemical reactivity
Thermal behavior of chemical processes, measurements and correlations
Applications of quantum chemistry and statistical mechanics in chemical engineering
Design of apparatus and experiments to measure properties of fluids
Formation behavior and flammability of aerosols
Liquid mixture flammability measurements and predictive models

Peer-Reviewed Publications

Gerkin, R.E., W.J. Rogers, “Observation of Nonlinearity and Asymmetry in Energies of EPR Transitions of 160Gd33+ in La(C2H5SO4)3.9D2O at Low Magnetic Fields,” Chem. Phys. Letters, 43(3), 1976, pp. 592-596.

Gerkin, R.E., W.J. Rogers, and W.J. Tourek, “High-Precision Electromagnetic Paramagnetic Resonance Study of Gd3+ in Single Crystals of the Lanthanide Ethyl Sulfate Nonahydrates near Room Temperature,” J. Chem. Phys., 66(9), 1977, pp. 4166-4171.

Gerkin, R.E. and W.J. Rogers, “EPR Spectroscopic Determination and Interpretation of g.dblvert. of Gadolinium3+ in Single Crystals of the Lanthanide Ethyl Sulfate Nonahydrates,” J. Chem. Phys., 68(2), 1978, pp. 504-512.

Gerkin, R.E. and W.J. Rogers, “A High-Precision Electromagnetic Paramagnetic Resonance Study of Gd3+ in Single Crystals of the Lanthanide Ethyl Sulfate Nonahydrates near Room Temperature,” J. Chem. Phys., 70(8), 1979, pp. 3764-3774.

Rogers, W.J., J.C. Holste, P.T. Eubank, and K.R. Hall, “Microwave Apparatus for Phase Transition Studies of Corrosive Fluids to 1.7 kbar and 588 K,” Rev. Sci. Instrum., 56(10), 1985, pp. 1907-1912.

Rogers, W.J., F. Fontalba, E.F. Capps, J.C. Holste, K.N. Marsh, and K.R. Hall, “Magnetic Circulating Pumps for use over wide ranges of Temperature and Pressure,” Rev. Sci. Instrum., 59(1), 193, 1988, pp. 193-194.

Brugge, H.B., C.-A. Hwang, J.C. Holste, K. R. Hall, W.J. Rogers, W. Lemming, G.J. Esper, K. N. Marsh, and B.E. Gammon, “Experimental Cross Virial Coefficients for Binary Mixtures of Carbon Dioxide with Nitrogen, Methane and Ethane at 300 and 320 K,” Physica A, 156(1), 1989, pp. 382-416.

Lau, W.R., C.-A. Hwang, H. B. Brugge, G. A. Iglesias-Silva, H. A. Duarte-Garza, W.J. Rogers, K.R. Hall, J.C. Holste, B.E. Gammon, and K.N. Marsh, “A Continuously Weighed Pycnometer for Measuring Fluid Properties,” J. Chem. Eng. Data, 42(4), 1997, pp. 738-744.

Rogers, W.J., J.A. Bullin, R.R. Davison, R.E. Frazier, and K.N. Marsh, “FTIR Method for VLE Measurements of Acid Gas - Alkanolamine Systems,” AIChE J., 43, 1997, pp. 3223-3231.

Rogers, W.J., J.A. Bullin, and R.R. Davison, “FTIR Measurements of Acid-Gas-Methyldiethanolamine Systems,” AIChE J, 44(11), 1998, 2423-2430.

Cisneros, L.O., W.J. Rogers and M.S. Mannan, “Adiabatic Calorimetric Decomposition Studies of 50-wt% Hydroxylamine/Water,” Journal of Hazardous Materials, vol. 82, no. 1, 2001, pp. 13-24.

Al-Qurashi, F., G. Sharma, W.J. Rogers, and M.S. Mannan, “Application of Relational Chemical Process Safety Databases for Lowering Mean Failure Rates,” Process Safety Progress, vol. 20, no. 4, December 2001, pp. 280-285.

Sukmarg, P., K. Krishna, W.J. Rogers, K.D. Kihm, and M.S. Mannan, “Effect of Operating Conditions and Orifice Size on Formation and Behavior of Aerosols from Heat Transfer Fluids,” Journal of Loss Prevention in the Process Industries, vol. 15, no. 1, January 2002, pp. 19-27.

Aldeeb, A.A., W.J. Rogers, and M.S. Mannan, “Theoretical and Experimental Methods for the Evaluation of Reactive Chemical Hazards,” Process Safety and Environmental Protection, Transactions of the Institute of Chemical Engineers: Part B, vol. 80, May 2002, pp. 141-149.

Vidal, M., J.P. Wagner, W.J. Rogers, and M.S. Mannan, “Charge Generation During Filling of Insulated Tanks,” Process Safety Progress, vol. 80, no.3, September 2002, pp. 181-184.

Aldeeb, A.A., W.J. Rogers, and M.S. Mannan, “Understanding the Role of Process Chemistry in Fires and Explosions,” Process Safety Progress, vol. 21, no. 4, December 2002, pp. 323-328.

Cisneros, L.O., W.J. Rogers, and M.S. Mannan, “Effect of Air in the Thermal Decomposition of 50 wt.% Hydroxylamine/water,” Journal of Hazardous Materials, vol. 95, no. 1-2, 2002, pp. 13-25.

Krishna, K., T.K. Kim, K.D. Kihm, W.J. Rogers, and M.S. Mannan, “Predictive Correlations for Leaking Heat Transfer Fluid Aerosols in Air,” Journal of Loss Prevention, vol. 16, no. 1, January 2003, pp. 1-8.

Saraf, S.R., W.J. Rogers, and M.S. Mannan, “Prediction of Reactive Hazards Based on Molecular Structure,” Journal of Hazardous Materials, vol. 98, no. 1-3, March 2003, pp. 15-29.

Saraf, S.R., W.J. Rogers, and M.S. Mannan, “Application of Transition State Theory for Thermal Stability Prediction,” Industrial and Engineering Chemistry Research, 42, 2003, pp. 1341-1346

Saraf, S.R., W.J. Rogers, M.S. Mannan, M.B. Hall, and L.M. Thomson, “Theoretical Thermochemistry: Ab initio Heat of Formation for Hydroxylamine,” Journal of Physical Chemistry, A, vol. 107, no. 8, February 27, 2003, pp 1077-1081.

Gentile, M., W.J. Rogers, and M.S. Mannan, “Development of an Inherent Safety Index Based on Fuzzy Logic,” AIChE Journal, vol. 49, no. 4, April 2003, pp. 959-968.

Cisneros, L.O., X. Wu, W.J. Rogers, M.S. Mannan, J. Park, and S. North, “Decomposition Products of 50 mass% Hydroxylamine/water Under Runaway Reaction Conditions,” Process Safety and Environmental Protection, Transactions of the Institute of Chemical Engineers, vol. 81, part B, March 2003, pp. 121-124.

Aldeeb, A.A., W.J. Rogers, and M.S. Mannan, “New Method Estimates the Parameters for Evaluating Process Reactivity Hazards,” Oil & Gas Journal, vol. 101.24, June 23, 2003, pp. 66-70.

Unrefereed Publications and Technical Meeting Proceedings

Rogers, W.J., J.C. Holste, and K.R. Hall “Microwave Method for Measurement of Phase Boundaries,” Proceedings of the 1986 International Gas Research Conference (IGRC), Toronto, Canada, September 8-11, 1986.

Rogers, W.J., J.C. Holste, and K.R. Hall, “Microwave Technique for Phase Behavior Studies of Petroleum and Natural Gas Mixtures,” Proc. Soc. of Pet. Eng., Dallas, Texas, 1988.

Holste, J.C., K. R. Hall, and W.J. Rogers, “Cross Virial Coefficient Correlations for Binary Mixtures of Carbon Dioxide with Nitrogen, Methane and Ethane,” Proceedings of the 1989 International Gas Research Conference (IGRC), Tokyo, Japan, November 6-9, 1989.

Cisneros, L., W.J. Rogers, and M.S. Mannan, “Thermal Runaway Reaction Studies of Poly(ethylene glycol) and Poly(propylene glycol),” Proceedings of the 2nd Annual Mary Kay O’Connor Process Safety Center Symposium - Beyond Regulatory Compliance: Making Safety Second Nature, College Station, Texas, October 26-27, 1999, pp. 202-212.

Al-Qurashi, F., W.J. Rogers, and M.S. Mannan, “Analysis of the EPA RMP*INFO Database,” Proceedings of the 3rd Annual Mary Kay O’Connor Process Safety Center Symposium - Beyond Regulatory Compliance: Making Safety Second Nature, College Station, Texas, October 24-25, 2000, pp. 40-45.

Cisneros, L., W.J. Rogers, and M.S. Mannan, “Thermal Decomposition Study of Hydroxylamine,” Proceedings of the 3rd Annual Mary Kay O’Connor Process Safety Center Symposium - Beyond Regulatory Compliance: Making Safety Second Nature, College Station, Texas, October 24-25, 2000, pp. 140-168.

Saraf, S., W.J. Rogers, and M.S. Mannan, “Application of Ab-Initio Principles for Prediction of Chemical Reactivity,” Proceedings of the 3rd Annual Mary Kay O’Connor Process Safety Center Symposium - Beyond Regulatory Compliance: Making Safety Second Nature, College Station, Texas, October 24-25, 2000, pp. 199-207.

Zhou, Y., N. Kazantzis, H.H. West, W.J. Rogers, and M.S. Mannan, “Abnormal Situation Management: A Process Dynamics Approach,” Proceedings of the 3rd Annual Mary Kay O’Connor Process Safety Center Symposium - Beyond Regulatory Compliance: Making Safety Second Nature, College Station, Texas, October 24-25, 2000, pp. 228-230.

Krishna, K., P. Sukmarg, K.D. Kihm, W.J. Rogers, and M.S. Mannan, “Droplet Size Distributions of Heat Transfer Fluid Aerosols in Air,” Proceedings of the 3rd Annual Mary Kay O’Connor Process Safety Center Symposium - Beyond Regulatory Compliance: Making Safety Second Nature, College Station, Texas, October 24-25, 2000, pp. 392-407.

Gentile, M., W.J. Rogers, and M.S. Mannan, “Application of Fuzzy Logic for the Development of an Inherent Safety Index,” Proceedings of the 3rd Annual Mary Kay O’Connor Process Safety Center Symposium - Beyond Regulatory Compliance: Making Safety Second Nature, College Station, Texas, October 24-25, 2000, pp. 469-486.

Sposato, C.F., W.J. Rogers, and M.S. Mannan, “Effects of Obstacle Geometry on Jet Mixing for Releases of Silane,” Proceedings of the 3rd Annual Mary Kay O’Connor Process Safety Center Symposium - Beyond Regulatory Compliance: Making Safety Second Nature, College Station, Texas, October 24-25, 2000, pp. 500-533.

Mannan, M.S., W.J. Rogers, A. Aldeeb, L. Cisneros, and S. Saraf, “Assessing the Potential Hazards of Reactive Chemicals,” Proceedings of the 29th North Atlantic Thermal Analysis Society Conference, St. Louis, Missouri, September 24-26, 2001, pp. 443-448.

Cisneros, L., W.J. Rogers, and M.S. Mannan, “Effect of Air in the Thermal Decomposition of 50 wt% Hydroxylamine/Water,” Proceedings of the 4th Annual Mary Kay O’Connor Process Safety Center Symposium - Beyond Regulatory Compliance: Making Safety Second Nature, College Station, Texas, October 30-31, 2001, pp. 233-253.

Aldeeb, A.A., W.J. Rogers, and M.S. Mannan, “Theoretical and Experimental Techniques for the Evaluation of Reactive Chemical Hazards,” Proceedings of the 4th Annual Mary Kay O’Connor Process Safety Center Symposium - Beyond Regulatory Compliance: Making Safety Second Nature, College Station, Texas, October 30-31, 2001, pp. 268-284.

Aldeeb, A.A., W.J. Rogers, and M.S. Mannan, “Understanding the Role of Process Chemistry in Fires and Explosions,” Proceedings of the 36th Annual Loss Prevention Symposium, AIChE 2002 Spring National Meeting, New Orleans, Louisiana, March 10-14, 2002, pp. 211-221.

Saraf, S., W.J. Rogers, and M.S. Mannan, “Of Computers, Chemistry, Chemical Engineering and Reactivity,” Proceedings of the 4th Annual Mary Kay O’Connor Process Safety Center Symposium - Beyond Regulatory Compliance: Making Safety Second Nature, College Station, Texas, October 30-31, 2001, pp. 308-320.

Krishna, K., T-K. Kim, K.D. Kihm, W.J. Rogers, and M.S. Mannan, “Understanding the Formation of Heat Transfer Fluid Aerosols in Air,” Proceedings of the 4th Annual Mary Kay O’Connor Process Safety Center Symposium - Beyond Regulatory Compliance: Making Safety Second Nature, College Station, Texas, October 30-31, 2001, pp. 384-393.

Gentile, M. W.J. Rogers, and M.S. Mannan, “Development of an Inherent Safety Index Using Fuzzy Logic,” Proceedings of the 4th Annual Mary Kay O’Connor Process Safety Center Symposium - Beyond Regulatory Compliance: Making Safety Second Nature, College Station, Texas, October 30-31, 2001, pp. 510-526.

Zhou, Y., W.J. Rogers, and M.S. Mannan, “A Sensor Fault Detection Scheme Using a Semi-Independent Process Model,” Proceedings of the 4th Annual Mary Kay O’Connor Process Safety Center Symposium - Beyond Regulatory Compliance: Making Safety Second Nature, College Station, Texas, October 30-31, 2001, pp. 693-701.

Keren, N., W.J. Rogers, and M.S. Mannan, “Chemical Plant Safety Performance Measurements,” Proceedings of the 4th Annual Mary Kay O’Connor Process Safety Center Symposium - Beyond Regulatory Compliance: Making Safety Second Nature, College Station, Texas, October 30-31, 2001, pp. 717-721.

Vidal, M., J.P. Wagner, W.J. Rogers, and M.S. Mannan, “Electrostatic Hazards and Flammable Liquids,” Proceedings of the 4th Annual Mary Kay O’Connor Process Safety Center Symposium - Beyond Regulatory Compliance: Making Safety Second Nature, College Station, Texas, October 30-31, 2001, pp. 723-734.

Mannan, M.S., W.J. Rogers, and A. Aldeeb, “A Systematic Approach to Reactive Chemicals Analysis,” Proceedings of Hazards XVI, Institution of Chemical Engineers, Manchester, United Kingdom, November 6-8, 2001, pp. 41-58.

Roberts, M., W.J. Rogers, M.S. Mannan, and S.W. Ostrowski, “Prevntion and Suppression of Metal Packing Fires,” Proceedings of the 5th Annual Mary Kay O’Connor Process Safety Center Symposium - Beyond Regulatory Compliance: Making Safety Second Nature, College Station, Texas, October 29-30, 2002, pp. 123-131.

Gentile, M., W.J. Rogers, and M.S. Mannan, “Inherent Safety Index for Transportation of Chemicals,” Proceedings of the 5th Annual Mary Kay O’Connor Process Safety Center Symposium - Beyond Regulatory Compliance: Making Safety Second Nature, College Station, Texas, October 29-30, 2002, pp. 225-244.

Keren, N., H.H. West, W.J. Rogers, J.P. Gupta, and M.S. Mannan, “Use of Failure Rate Databases and Process Safety Performance Measurements to Improve Process Safety,” Proceedings of the 5th Annual Mary Kay O’Connor Process Safety Center Symposium - Beyond Regulatory Compliance: Making Safety Second Nature, College Station, Texas, October 29-30, 2002, pp. 281-298.

Krishna, K., W.J. Rogers, and M.S. Mannan, “Use of Aerosol Formation, Flammability, and Explosion Information for Heat Transfer Fluid Selection,” Proceedings of the 5th Annual Mary Kay O’Connor Process Safety Center Symposium - Beyond Regulatory Compliance: Making Safety Second Nature, College Station, Texas, October 29-30, 2002, pp. 467-480.

Aldeeb, A.A., W.J. Rogers, and M.S. Mannan, “Evaluation of Styrene-Acrylonitrile Copolymerization Thermal Stability and Runaway Behavior,” Proceedings of the 5th Annual Mary Kay O’Connor Process Safety Center Symposium - Beyond Regulatory Compliance: Making Safety Second Nature, College Station, Texas, October 29-30, 2002, pp. 575-588.

Saraf, S.R., W.J. Rogers, and M.S. Mannan, “Using Screening Test Data to Classify Reactive Chemical Hazards,” Proceedings of the 5th Annual Mary Kay O’Connor Process Safety Center Symposium - Beyond Regulatory Compliance: Making Safety Second Nature, College Station, Texas, October 29-30, 2002, pp. 613-623.

Roberts, M.A., W.J. Rogers, M.S. Mannan, and S.W. Ostrowski, “Prevention and Suppression of Metal Packing Fires,” Proceedings of the 37th Annual Loss Prevention Symposium, New Orleans, Louisiana, March 30-April 3, 2003.

Saraf, S.R., W.J. Rogers, and M.S. Mannan, “Challenges in Classification of Reactive Chemicals,” Proceedings of the 37th Annual Loss Prevention Symposium, New Orleans, Louisiana, March 30-April 3, 2003.

Krishna, K., W.J. Rogers, and M.S. Mannan, “Integrating Aerosol Formation, Flammability, and Explosion Information into Selection of Heat Transfer Fluids,” Proceedings of the 2003 Process Plant Safety Symposium, New Orleans, Louisiana, March 30-April 3, 2003.

Gentile, M., W.J. Rogers, and M.S. Mannan, “Integrating Inherent Safety Analysis and Environmental Protection into a Quantitative Index,” Proceedings of the 2003 Process Plant Safety Symposium, New Orleans, Louisiana, March 30-April 3, 2003.

Main Reports

Bailey, D.M., G.J. Esper, W.J. Rogers, J.C. Holste, K.R. Hall, P.T. Eubank, and K.M. Marsh “Properties of Carbon Dioxide Mixtures with Nitrogen and with Methane,” GRI Research Report, GRI RR-122, 1989.

Hall, K.R. and W.J. Rogers, “Relative Density Equation for Natural Gas,” GRI Annual Report, Gas Research Institute, 1990.

Mannan, M.S., M.T. O’Connor, W.J. Rogers, and M. Gentile, “Challenges in Implementing Inherent Safety Principles in New and Existing Chemical Processes,” White Paper, Mary Kay O’Connor Process Safety Center, College Station, Texas, August 2002.

Mannan, M.S. and W.J. Rogers, “Challenges of Regulating or Implementing a Reactive Chemicals Hazard Management Program,” Comments provided to the United States Chemical Safety and Hazard Investigation Board, Reactive Chemicals Public Hearing, Houston, Texas, Mary Kay O’Connor Process Safety Center, College Station, Texas, September 17, 2002.

Papers Accepted

Saraf, S.R., W.J. Rogers, and M.S. Mannan, “Challenges in Classification of Reactive Chemicals,” Chemical Engineering Progress, accepted 4/2003.

Cisneros, L.O., W.J. Rogers, M.S. Mannan, X. Li, and H. Koseki, “Effect of Iron Ion in the Thermal Decomposition of 50 mass% Hydroxylamine/Water Solutions,” Journal of Chemical and Engineering Data, accepted 4/2003.

Mannan, M.S., W.J. Rogers, J.T. Baldwin, J.P. Gupta, Y. Wang, S.R. Saraf, and K. Krishna, “Hydroxylamine Production: Will a QRA Help You Decide,” Reliability Engineering and System Safety, accepted 4/2003.

Krishna, K., W.J. Rogers, and M.S. Mannan, “Integrating Aerosol Formation, Flammability, and Explosion Information into Selection of Heat Transfer Fluids,” Chemical Engineering Progress,accepted 5/2003.

Vidal, M., W.J. Rogers, J.C. Holste, and M.S. Mannan, “A Review of Estimation Methods for Flash Points and Flammability Limits,” Process Safety Progress, accepted 5/2003.

Papers Submitted

Cisneros, L.O., W.J. Rogers, M.S. Mannan, “Adiabatic calorimetric decomposition studies of 35 mass% hydroxylamine hydrochloride/water,” The Canadian Journal of Chemical Engineering.

Cisneros, L.O., W.J. Rogers, M.S. Mannan, “Comparison of the thermal decomposition behavior for members of the hydroxylamine/water family,” Thermochimica Acta

Gentile, M., W.J. Rogers, and M.S. Mannan, “Development of a Fuzzy Logic-based Inherent Safety Index,” Process Safety and Environmental Protection, Transactions of the Institute of Chemical Engineers: Part B.

Krishna, K., W.J. Rogers, and M.S. Mannan, “The Use of Aerosol Formation, Flammablity, and Explosion Information for Heat Transfer Fluid Selection,” Journal of Hazardous Materials.

Roberts, M., W.J. Roger, M.S.Mannan, and S.W. Ostrowski, “Prevention and Suppression of Metal Packing Fires,” Journal of Hazardous Materials.

Gentile, M., W.J. Rogers, and M.S. Mannan, “Inherent Safety Index for Transportation of Chemicals,” Journal of Hazardous Materials.

Keren, N., H.H. West, W.J. Rogers, J.P. Gupta, and M.S. Mannan, “Use of Failure Rate Databases and Process Safety Performance Measurements to Improve Process Safety,” Journal of Hazardous Materials.

Aldeeb, A.A., W.J. Rogers, and M.S. Mannan, “Evaluation of Styrene-Acrylonitrile Copolymerization Thermal Stability and Runaway Behavior,” Journal of Hazardous Materials.

Saraf, S.R., W.J. Rogers, and M.S. Mannan, “Using Screening Test Data to Classify Reactive Chemical Hazards,” Journal of Hazardous Materials.

Wang, Y., W.J. Rogers, H.H., West and M.S. Mannan, “Algorithmic Fault Tree Synthesis for Control Loops,” Journal of Loss Prevention in the Process Industries.

Mannan, M.S., A.A. Aldeeb, S.R. Saraf, and W.J. Rogers, “Validating the Polanyi relationship for homolytic bond scission reactions,” AIChE Journal.

Sposato, C., F. Tamanini, W.J. Rogers, and M.S. Mannan, “Effects of Plate Impingement on the Flammable Volumes of Fuel Jet Releases,” Process Safety Progress.

Aldeeb, A.A, S.R.Saraf, W.J. Rogers, and M.S. Mannan, “Estimations of Decomposition Energy,” Journal of Hazardous Materials.

Cisneros, L.O., W.J. Rogers, and M.S. Mannan, “Comparison of the Thermal Decomposition Behavior for Members of the Hydroxylamine Family,” Thermochimca Acta.

Saraf, S.R., W.J. Rogers, D.M. Ford, and M.S. Mannan, “Integrating Molecular Modeling and Process Safety Research”, Fluid Phase Equilibria

Technical Meeting Presentations

“Microwave Apparatus to Determine Phase Behavior of Sour Gases,” Mobil Research and Development, Westhollow, Houston, March 20, 1983.

“Hydrogen Cyanide Incident Information Database and Website,” 2000 Hydrogen Cyanide Safety Seminar, March 30, 2000, Baltimore, MD (presented by M.S. Mannan)

“Development of an Inherent Safety Index Based on Fuzzy Logic,” 2001 AIChE Annual Meeting, November 5-9, 2001, Reno, Nevada (presented by M. Gentile, graduate student).

“Thermal Decomposition Studies of Hydoxylamine Compounds,” AIChE Annual Meeting, November 5-9, 2001, Reno, Nevada (presented by L.O. Cisneros, graduate student).

“Density Functional Investigation of Hydroxylamine Decomposition,” 2001 AIChE Annual Meeting, November 5-9, 2001, Reno, Nevada (presented by S. Saraf, graduate student).

“Computational Chemistry and Molecular Simulation for Engineers: A Cooperative Effort across College Boundaries,” 2001 AIChE Annual Meeting, November 5-9, 2001, Reno, Nevada (presented by D.M. Ford).

“Computational Methods for Determining the Heat of Formation of Hydroxylamine,” Fundamental Research Group, National Institute of Fire and Disaster, Tokyo, Japan, January 30, 2002.

“Aerosol Flammability Research,” Fundamental Research Group, National Institute of Fire and Disaster, Tokyo, Japan, January 30, 2002.

“Experimental Research and Modeling at the Mary Kay O’Connor Process Safety Center,” Chemical Safety Research Group, National Institute of Industrial Safety, Tokyo, Japan, February 6, 2002.

“Understanding the Role of Process Chemistry in Fires and Explosions,” 36th Annual Loss Prevention Symposium, AIChE Meeting, March 10-14, 2002, New Orleans, Louisiana (presented by A.A. Aldeeb, graduate student).

“Calorimetric Studies of Hydroxylamine and Related Compounds,” 1st International Congress on the Process Industries, AchemAmerica 2002, March 18-20, 2002, Mexico City, Mexico (presented by L.O. Cisneros, graduate student).

“CISP Thermal Safety Software Development Program for Chemical Reactivity Assessment,” DIERS users Group Meeting, October 1, 2002, Houston, Texas (presented by S.G. Coats (DuPont) and W.J. Rogers)

“Calorimetric Data Correlations Using Molecular Descriptors,” paper presented at the 2002 AIChE Annual Meeting, November 4-8, 2002, Indianapolis, Indiana (presented by S.R. Saraf).

“Analyzing Reaction Pathways for Evaluation of Reactive Hazards,” paper presented at the 2002 AIChE Annual Meeting, November 4-8, 2002, Indianapolis, Indiana (presented by A.A. Aldeeb, graduate student).

“Predicting Reaction Pathways: Reactivity Evaluation Approach,” Fundamental Research Group, National Research Institute of Fire and Disaster, Tokyo, Japan, January 17, 2003, (presented by A.A. Aldeeb, graduate student).

“Measurement and Modeling of Liquid Flammability Limits,” AIChE Spring 2003 Meeting, New Orleans, LA, March 31-April 3, 2003 (presented by W. Wong, graduate student).

“Challenges in Classification of Reactive Chemicals,” AIChE Spring 2003 Meeting, New Orleans, LA, March 31-April 3, 2003.

“Challenges of Regulating or Implementing a Reactive Chemicals Hazard Management Program,” AIChE Spring 2003 Meeting, New Orleans, LA, March 31-April 3, 2003.

“Integrating Molecular Modeling and Process Safety,” NIST Fifteenth Symposium on Thermophysical Properties, Boulder, CO, June 22-27, 2003. (presented by Professor James C. Holste)

University Service

Mary Kay O’Connor Process Safety Center Steering Committee
Mary Kay O’Connor Process Safety Center Technical Advisory Committee

Professional Service

Prepared and helped to develop protocols for a hydrogen cyanide website and database of property and industrial information in collaboration with the hydrogen cyanide industrial community.

Co-developed and co-taught a two-day continuing education course for industrial personnel, “Reactive Chemical Hazards”, sponsored by the Mary Kay O’Connor Process Safety Center, Houston, Texas, July 11-12, 2001, and November 21-22, 2002.

Co-developed and co-taught a one-day continuing education course for industrial personnel, “Identification of Reactive Chemical Hazards”, sponsored by the Mary Kay O’Connor Process Safety Center, Galveston, Texas, June 3, 2003.

Biographical Information

William Rogers has extensive experience in designing apparatus and methods for precision measurements of fluid properties over wide ranges of conditions. He also has co-designed or helped to develop various types of novel apparatus for corrosive and hazardous fluids. A microwave apparatus to detect phase regions of corrosive fluids at extreme conditions of pressure and temperature was successful for measurements of natural gas fluids at deep well conditions. Other apparatus include development of a FITR measurement method for gas treating research and a laser cell for natural gas conversion research.

He has been co-guiding graduate student research in thermodynamics, reactive chemicals, and chemical process safety. As Laboratory Director of the Mary Kay O’Connor Process Safety Center, he is responsible for experimental measurements, modeling, and computations to extend the use of experimental data. As a co-PI or senior investigator on numerous proposals, he helps to acquire support for the research programs. Also, he has been a principal or senior investigator in various proprietary research projects that were not reported in the open literature or at symposia.

With Sam Mannan, he developed and co-taught a continuing education course on reactive chemicals. Also, he is co-teaching an introductory process safety course in the Chemical Engineering Department for seniors and graduate engineering students. Together with David Ford and M. Sam Mannan, he has directed an initiative, supported by a 2001 grant from the Dreyfus Foundation, to develop and integrate a molecular approach in the chemical engineering curriculum. As part of this program in 2001 and 2003, he co-taught a course on molecular modeling and computational chemistry.

Recent Major Projects

Texas Higher Education Coordinating Board, Behavior of Heat Exchange Fluid Aerosols Leaking from Manufacturing Processes, 01/01/99 - 12/31/02
Laboratory Director: The primary goal of this research is to study the formation and dispersion of aerosols that form because of escape of heat transfer fluids through leak structures in industry. This research involves a variety of heat exchange fluids and a non-intrusive laser method based on the Malvern Instrument Diffraction Particle Analyzer to measure droplet sizes, spatial distributions, and concentrations forming from nozzles of various shapes to simulate leaks in pipes and vessels. The goal is to improve industrial process safety and economic practices through an understanding of how aerosols can form and strategies for safe handling of leaking fluids.

Ashland, Inc. and Pharmacia, Inc, Reactive Chemicals Analysis of Hydroxylamine Compounds, 01/01/01 - 12/31/01
Co-Principal Investigator: This project involved the measurement of thermal stability and decomposition behavior of hydroxylamine and hydroxylamine compounds including hydroxylamine hydrochloride. Studied were the effects of inhibitors on the thermal stability and the effects of metal surfaces and added contaminants. Tests were performed in closed glass cells in the Automatic Pressure Tracking Adiabatic Calorimeter APTAC calorimeter. The thermal behavior information was required for safe storage, transport, handling, and use of hydroxylamine and hydroxylamine hydrochloride/water solutions at industrial sites.

Process Safety Consortium, Computations and Modeling for Reactivity Predictions, 01/01/00 - 12/31/03
Co-Principal Investigator: This research employs computational models, both quantum and classical, to estimate property values and to predict chemical reactivity. The work is currently focused on investigating homogeneous catalysis pathways for hydroxylamine decomposition using density functional theory. The heat of formation of hydroxylamine was calculated using a variety of models, including quantum together with isodesmic reactions. To test the theoretical calculations, thermal decomposition of systems are measured using an Automated Pressure Tracking Adiabatic Calorimeter (APTAC) and Reactive System Screening Tool (RSST) calorimeters.

Process Safety Consortium, Systematic Approach for Assessment of Chemical Reactive Hazards, 01/01/00 - 12/31/03
Co-Principal Investigator: This research is developing a systematic approach for evaluating reactive chemicals to determine potential hazards. This approach employs a combination of theoretical and experimental methods that include both screening and advanced levels of analysis. Understanding the reaction stoichiometry, thermodynamics, and kinetics is of critical importance for reactivity assessment and safer process design. Various reactive systems of industrial interest will be analyzed to develop and test this approach to chemical reactivity metrics.

Dreyfus Foundation, Molecular Modeling and Computational Chemistry, 06/01/01 - 06/01/03
Co-Principal Investigator: The purpose of this initiative is to help integrate a microscopic approach with the traditional macroscopic approach in the chemical engineering curriculum to increase the knowledge and competency of engineering students in the use of molecular-level computational tools. The main focus is a new graduate course wherein computational chemistry and molecular modeling tools are applied to solve engineering problems related to material properties, chemical reactivity, and chemical process safety. To help achieve this integration, the ideas and tools presented in the new course will be employed also in other engineering classes.

Hydrogen Cyanide Consortium and Dupont, Hydrogen Cyanide Incident Database and Website, 07/03/01 (established)
Co-Principal Investigator: This project involves assembling, transferring, archiving the combined incident knowledge of participating hydrogen cyanide companies. The information is continually evaluated, updated, and made available at three levels of access on the hydrogen cyanide website and provides a forum for exchange of safety information for operations involving hydrogen cyanide chemicals and equipment.

Dow Chemical Co. and Eastman Kodak Co., Structure based Predictions of Chemical Reactivity, 09/24/01 - 09/24/07
Co-Principal Investigator: In collaboration with Dow Chemical and Eastman Kodak, a Quantitative Structure Property Relationships (QSPR) model is used to correlate onset temperatures and heats of decomposition, experimentally measured in differential scanning calorimeters, using molecular properties for a variety of important industrial chemicals. Also, activation energies will be predicted using correlations of heats of reaction and molecular properties. These correlations will help to extend available experimental data to predict potential reactivity hazards.

Texas Higher Education Coordinating Board, Flammability of Liquid Mixtures, 01/01/02 - 12/31/04
Co-Principal Investigator: This research is a combined theoretical and experimental study that will develop calculation and software tools for predicting flash points and flammability limits for liquid mixtures and test those tools using experimental data. Systems will be tested both on a standard flash point tester used in industry and with a flammability apparatus that will be designed and constructed for this research. The established standard methods for determining flash points are known to be inaccurate and they generally apply only to pressures and oxygen concentrations near atmospheric. Therefore, test methods will be developed for the wide ranges of pressures, temperatures, and oxygen levels encountered in industrial manufacturing processes.

Solutia, Inc., Flammability Studies on Heat Transfer Fluid Aerosol Sprays, 03/01/02 - 02/28/03
Co-Principal Investigator: Continued research on aerosols formed by leaking heat transfer fluids involves the study of flame speeds and flammable limits of aerosols with mono-disperse drop sizes. A predictive model to relate characteristic flammability limits to aerosol drop size, volume concentration and ignition energy will be developed to estimate and reduce explosion hazards of heat transfer fluid aerosols and guide their selection and use in industry.

Frank Lees Loss Prevention in the Process Industries, 3rd Edition, 04/01/02 - 03/31/03
Co-author of a new chapter on reactive chemicals and editor of an appendix on laboratories: The Mary Kay O’Connor Process Safety Center is editing the entire 3rd edition of this classic, three-volume reference on chemical process safety.

International Science and Technology Center, Methods for Evaluating Hazardous Chemical Reactivity, 05/01/02 - 04/30/04
Co-Principal Investigator: This project involves collaboration in chemical reactivity research and process hazard evaluation with Cheminform St Petersburg, Russia (CISP), with support from the International Science and Technology Center (ISTC). This collaboration will combine the Mary Kay O’Connor Process Safety research initiatives in reactivity hazard assessment and thermal reactivity measurements with the experience in thermal research and reactive modeling software of CISP. A goal of the proposed collaboration is to incorporate the CISP methods with the Center Reactive Chemical Hazards Assessment method, which reduces the complexity of the overall system to the most probable reactions and mechanisms and reduces the amount of required experimental analyses. A second goal of this collaboration is to analyze reactive systems and processes involved with industrial fires and explosions to test the effectiveness of this systematic approach and its applicability by scientists and industrial personnel. Information from the experimental testing and analyses will be used by CISP to refine the models and to develop software tools for use by industrial personnel for reactivity hazard assessments and to design inherently safer processes.

National Institute of Fire and Disaster (NIFD), Japan
Co-Principal Investigator: This project involves collaborations with NIFD for chemical reactivity measurements and hazard assessments of energetic chemicals, such as organic peroxides, under wide ranges of conditions and sample sizes. This project includes exchange of students and researches and sharing of reactivity and application information.

National Institute of Industrial Safety (NIIS), Chemical Safety Research Group, Japan
Co-Principal Investigator: This project involves collaborations with NIIS to develop models for prediction of hazards to property, personnel, and environment from accidental releases or explosions followed by releases. This research includes two-phase releases, computational studies and modeling of reactive chemicals, analysis of aerosol explosion hazards, database analysis, and failure rate metrics.