Grantee Research Project Results
Publications Details for Grant Number R824731
Phase Equilibria of CO2-Based Reaction Systems
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| Reference Type | Reference Title | Journal | Author | Citation | Progress Report Year | Document Sources |
|---|---|---|---|---|---|---|
| Book Chapter | Phase behavior and its effects on reactions in liquid and supercritical CO2. | None | Blanchard LA, Stradi-Granados BA, Stadtherr MA, Brennecke JF | Blanchard LA, Stradi-Granados BA, Stadtherr MA, Brennecke JF. Phase behavior and its effects on reactions in liquid and supercritical CO2. In: DeSimone JM, Tumas W, eds. Green Chemistry Using Liquid and Supercritical Carbon Dioxide. New York, NY: Oxford University Press, 2003, Chapter 1, pp. 3-16. |
R824731 (Final) |
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| Journal Article | Green processing using ionic liquids and CO2. | NATURE | Blanchard LA, Hancu D, Beckman EJ, Brennecke JF | Blanchard LA, Hancu D, Beckman EJ, Brennecke JF. Green processing using ionic liquids and CO2. Nature 1999;399(6731):28-29. |
R824731 (Final) |
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| Journal Article | Reliable nonlinear parameter estimation in VLE modeling. | FLUID PHASE EQUILIBRIA | Gau C-Y, Brennecke JF, Stadtherr MA | Gau C-Y, Brennecke JF, Stadtherr MA. Reliable nonlinear parameter estimation in VLE modeling. Fluid Phase Equilibria 2000;168(1):1-18. |
R824731 (Final) |
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| Journal Article | Reliable prediction of phase stability using an interval Newton method. | FLUID PHASE EQUILIBRIA | Hua JZ, Brennecke JF, Stadtherr MA | Hua JZ, Brennecke JF, Stadtherr MA. Reliable prediction of phase stability using an interval Newton method. Fluid Phase Equilibria 1996;116(1-2):52-59. |
R824731 (Final) |
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| Journal Article | Reliable phase stability analysis for cubic equation of state models. | COMPUTERS & CHEMICAL ENGINEERING | Hua JZ, Brennecke JF, Stadtherr MA | Hua JZ, Brennecke JF, Stadtherr MA. Reliable phase stability analysis for cubic equation of state models. Computers & Chemical Engineering 1996;20(Suppl 1):S395-S400. |
R824731 (Final) |
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| Journal Article | Enhanced interval analysis for phase stability: cubic equation of state models. | INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH | Hua JZ, Brennecke JF, Stadtherr MA | Hua JZ, Brennecke JF, Stadtherr MA. Enhanced interval analysis for phase stability: cubic equation of state models. Industrial & Engineering Chemistry Research 1998;37(4):1519-1527. |
R824731 (Final) |
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| Journal Article | Reliable computation of phase stability using interval analysis: cubic equation of state models. | COMPUTERS & CHEMICAL ENGINEERING | Hua JZ, Brennecke JF, Stadtherr MA | Hua JZ, Brennecke JF, Stadtherr MA. Reliable computation of phase stability using interval analysis: cubic equation of state models. Computers & Chemical Engineering 1998;22(9):1207-1214. |
R824731 (Final) |
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| Journal Article | Interval analysis for thermodynamic calculations in process design: a novel and completely reliable approach. | FLUID PHASE EQUILIBRIA | Hua JZ, Maier RW, Tessier SR, Brennecke JF, Stadtherr MA | Hua JZ, Maier RW, Tessier SR, Brennecke JF, Stadtherr MA. Interval analysis for thermodynamic calculations in process design: a novel and completely reliable approach. Fluid Phase Equilibria 1999;158-160:607-615. |
R824731 (Final) |
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| Journal Article | Reliable computation of homogeneous azeotropes. | AICHE JOURNAL | Maier RW, Brennecke JF, Stadtherr MA | Maier RW, Brennecke JF, Stadtherr MA. Reliable computation of homogeneous azeotropes. AIChE Journal 1998;44(8):1745-1755. |
R824731 (Final) |
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| Journal Article | Multicomponent phase equilibrium measurements and modeling for the allylic epoxidation of trans-2-hexen-1-ol to (2R,3R)-(+)-3-propyloxiranemethanol in high-pressure carbon dioxide. | JOURNAL OF HAZARDOUS MATERIALS | Stradi BA, Stadtherr MA, Brennecke JF | Stradi BA, Stadtherr MA, Brennecke JF. Multicomponent phase equilibrium measurements and modeling for the allylic epoxidation of trans-2-hexen-1-ol to (2R,3R)-(+)-3-propyloxiranemethanol in high-pressure carbon dioxide. Journal of Supercritical Fluids 2001;20(1):1-13. |
R824731 (Final) |
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| Journal Article | Phase behavior of the reactants, products and catalysts involved in the allylic epoxidation of trans-2-Hexen-1-ol to (2R,3R)-(+)-3-Propyloxiranemethanol in high pressure carbon dioxide. | JOURNAL OF SUPERCRITICAL FLUIDS 1998 | Stradi BA, Kohn JP, Stadtherr MA, Brennecke JF | Stradi BA, Kohn JP, Stadtherr MA, Brennecke JF. Phase behavior of the reactants, products and catalysts involved in the allylic epoxidation of trans-2-Hexen-1-ol to (2R,3R)-(+)-3-Propyloxiranemethanol in high pressure carbon dioxide. Journal of Supercritical Fluids 1998;12(2):109-122. |
R824731 (Final) |
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| Journal Article | Reliable phase stability analysis for excess Gibbs energy models. | CHEMICAL ENGINEERING SCIENCE | Tessier SR, Brennecke JF, Stadtherr MA | Tessier SR, Brennecke JF, Stadtherr MA. Reliable phase stability analysis for excess Gibbs energy models. Chemical Engineering Science 2000;55(10):1785-1796. |
R824731 (Final) |
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| Presentation | Measurement, modeling and computation of phase behavior of CO2-based reaction systems. | None | Brennecke JF, Stadtherr MA | Brennecke JF, Stadtherr MA. Measurement, modeling and computation of phase behavior of CO2-based reaction systems. Presented at the DuPont Experimental Station, Wilmington, DE, February 16, 1996. |
R824731 (Final) |
not available |
| Presentation | Supercritical CO2 as a replacement solvent for reactions. | None | Brennecke JF | Brennecke JF. Supercritical CO2 as a replacement solvent for reactions. Presented to the Department of Chemical Engineering, West Virginia University, Morgantown, WV, February 25, 1997. |
R824731 (Final) |
not available |
| Presentation | Supercritical fluids for environmental applications: a chemical engineering perspective. | None | Brennecke JF | Brennecke JF. Supercritical fluids for environmental applications: a chemical engineering perspective. Presented to the Department of Chemistry, Western Michigan University, Kalamazoo, MI, November 6,1997. |
R824731 (Final) |
not available |
| Presentation | Dense phase fluids: phase behavior. | None | Brennecke JF | Brennecke JF. Dense phase fluids: phase behavior. Presented at the Department of Energy/Environmental Protection Agency Dense Phase Fluids and Alternative Reaction Media Workshop, Sante Fe, NM, April 13-16, 1998. |
R824731 (Final) |
not available |
| Presentation | Supercritical CO2 as an environmentally benign solvent for reactions. | None | Brennecke JF | Brennecke JF. Supercritical CO2 as an environmentally benign solvent for reactions. Presented at the Green Chemistry Gordon Conference, Kimball Union Academy, Meriden, NH, August 16-21, 1998. |
R824731 (Final) |
not available |
| Presentation | Catalytic hydrogenation of heterocyclic compounds in supercritical fluid solvents. | None | Connery KA, Hutchenson KW, Herkes FE, Brennecke JF | Connery KA, Hutchenson KW, Herkes FE, Brennecke JF. Catalytic hydrogenation of heterocyclic compounds in supercritical fluid solvents. Presented at the Annual AIChE Meeting, Los Angeles, CA, November 16-21, 1997. |
R824731 (Final) |
not available |
| Presentation | Computation and measurement of the phase behavior of high pressure systems containing carbon dioxide. | None | Hua JZ, Stradi-Granados BA, Blanchard LA, Stadtherr MA, Brennecke JF | Hua JZ, Stradi-Granados BA, Blanchard LA, Stadtherr MA, Brennecke JF. Computation and measurement of the phase behavior of high pressure systems containing carbon dioxide. Presented at the Midwest Thermodynamics and Statistical Mechanics Conference, Madison, WI, May 2-3, 1996. |
R824731 (Final) |
not available |
| Presentation | Reliable phase stability analysis for cubic equations of state models. | None | Hua JZ, Brennecke JF, Stadtherr MA | Hua JZ, Brennecke JF, Stadtherr MA. Reliable phase stability analysis for cubic equations of state models. Presented at ESCAPE-6, Rhodes, Greece, May 26-29, 1996. |
R824731 (Final) |
not available |
| Presentation | Enhanced interval techniques for reliable computation of phase equilibrium. | None | Hua JZ, Rooney WC, Brennecke JF, Stadtherr MA | Hua JZ, Rooney WC, Brennecke JF, Stadtherr MA. Enhanced interval techniques for reliable computation of phase equilibrium. Presented at the Annual AIChE Meeting, Chicago, IL, November 10-15, 1996. |
R824731 (Final) |
not available |
| Presentation | Combined local and global approach to reliable computation of phase equilibria. | None | Hua JZ, Brennecke JF, Stadtherr MA | Hua JZ, Brennecke JF, Stadtherr MA. Combined local and global approach to reliable computation of phase equilibria. Presented at the Annual AIChE Meeting, Los Angeles, CA, November 16-21, 1997. |
R824731 (Final) |
not available |
| Presentation | Interval analysis for thermodynamic calculations in process design: a novel and completely reliable approach. | None | Hua JZ, Maier RW, Tessier SR, Brennecke JF, Stadtherr MA | Hua JZ, Maier RW, Tessier SR, Brennecke JF, Stadtherr MA. Interval analysis for thermodynamic calculations in process design: a novel and completely reliable approach. Poster presented at the Eighth International Conference on Properties and Phase Equilibria for Product and Process Design, Noordwijkerhout, The Netherlands, April 26-May 1, 1998. |
R824731 (Final) |
not available |
| Presentation | A new approach for reliable computation of homogeneous azeotropes in multicomponent mixtures. | None | Maier RW, Brennecke JF, Stadtherr MA | Maier RW, Brennecke JF, Stadtherr MA. A new approach for reliable computation of homogeneous azeotropes in multicomponent mixtures. Presented at the Annual AIChE Meeting, Los Angeles, CA, November 16-21, 1997. |
R824731 (Final) |
not available |
| Presentation | Reliable computation of homogeneous azeotropes. | None | Maier RW, Stadtherr MA, Brennecke JF | Maier RW, Stadtherr MA, Brennecke JF. Reliable computation of homogeneous azeotropes. Presented at the Midwest Thermodynamics and Statistical Mechanics Conference, Notre Dame, IN, May 18-19, 1998. |
R824731 (Final) |
not available |
| Presentation | Computation of reactive azeotropes using interval analysis. | None | Maier RW, Brennecke JF, Stadtherr MA | Maier RW, Brennecke JF, Stadtherr MA. Computation of reactive azeotropes using interval analysis. Presented at the Annual AIChE Meeting, Miami, FL, November 15-20, 1998. |
R824731 (Final) |
not available |
| Presentation | Phase stability analysis for equation of state models. | None | Stadtherr MA, Hua JZ, Brennecke JF | Stadtherr MA, Hua JZ, Brennecke JF. Phase stability analysis for equation of state models. Presented at the Institute for Operations Research and the Management Sciences, National Meeting, Dallas, TX, October 26-29, 1997. |
R824731 (Final) |
not available |
| Presentation | Reliable process modeling using interval analysis. | None | Stadtherr MA | Stadtherr MA. Reliable process modeling using interval analysis. Presented to the Department of Chemical Engineering, Carnegie-Mellon University, Pittsburgh, PA, February 24, 1998. |
R824731 (Final) |
not available |
| Presentation | Reliable computation of high pressure phase behavior. | None | Stadtherr MA, Maier RW, Stradi-Granados BA, Xu G, Brennecke JF | Stadtherr MA, Maier RW, Stradi-Granados BA, Xu G, Brennecke JF. Reliable computation of high pressure phase behavior. Presented at the Annual AIChE Meeting, Miami, FL, November 15-20, 1998. |
R824731 (Final) |
not available |
| Presentation | Measurement, modeling and computation of the phase behavior of CO2-based reaction systems. | None | Stradi-Granados BA, Stadtherr MA, Kohn JP, Brennecke JF | Stradi-Granados BA, Stadtherr MA, Kohn JP, Brennecke JF. Measurement, modeling and computation of the phase behavior of CO2-based reaction systems. Presented at the Green Chemistry and Engineering Conference, Washington, DC, June 23-25, 1997. |
R824731 (Final) |
not available |
| Presentation | Measurement and modeling of phase equilibrium in a reaction system using an environmentally benign solvent. | None | Stradi-Granados BA, Kohn JP, Stadtherr MA, Brennecke JF | Stradi-Granados BA, Kohn JP, Stadtherr MA, Brennecke JF. Measurement and modeling of phase equilibrium in a reaction system using an environmentally benign solvent. Presented at the Spring AIChE Meeting, Houston, TX, March 9-14, 1997. |
R824731 (Final) |
not available |
| Presentation | Measurement and modeling of phase equilibrium in a reaction system using environmentally benign CO2. | None | Stradi-Granados BA, Stadtherr MA, Kohn JP, Brennecke JF | Stradi-Granados BA, Stadtherr MA, Kohn JP, Brennecke JF. Measurement and modeling of phase equilibrium in a reaction system using environmentally benign CO2. Poster presented at the 4th International Symposium on Supercritical Fluids, Sendai, Japan, May 11-14, 1997. |
R824731 (Final) |
not available |
The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Conclusions drawn by the principal investigators have not been reviewed by the Agency.