Prediction of minimum flash point behaviour for binary mixtures

Process Safety and Environmental Protection

Volumn 84, Issue 1 B, 2006, Pages 1-9

  Vidal, M ^a   Rogers, W J ^a   Mannan, M S ^a  

^a Texas AandM University   (United States)

Author keywords

Binary mixtures; COSMO RS; Flammability; Flash point; Minimum flash point behavior; UNIFAC

Indexed keywords

ETHANOL; EXPLOSIONS; FIRE HAZARDS; FLAMMABILITY; METHANOL; WATER;

COSMO-RS; MINIMUM FLASH POINT BEHAVIOUR; MIXTURE FLASH POINT; UNIFAC;

BINARY MIXTURES;

EID: 33644629528     PISSN: 09575820     EISSN: None     Source Type: Journal    
DOI: 10.1205/psep.05041     Document Type: Article

References (48)

1. Affens, W.A. and McLaren, G.W., 1972, Flammability properties of hydrocarbon solutions in air, J Chem Eng Data, 17(4): 482-488.
2. Arce, A., Blanco, A., Soto, A. and Vidal, I., 1997a, Phase equilibria of water + methanol + hexyl acetate mixtures, Fluid Phase Equilibr, 128(1-2): 261-270.
3. Arce, A., Martinez-Ageitos, J., Mendoza, J. and Soto, A., 1997b, Water + ethanol + 2-methoxy-2-methylbutane: properties of mixing at 298.15 K and isobaric vapour-liquid equilibria at 101.32kPa, Fluid Phase Equilibr, 141(1-2): 207-220.
4. American Society for Testing and Materials (ASTM) D 56, 2002a, Standard test method for flash point by tag closed cup tester. ASTM International.
5. American Society for Testing and Materials (ASTM) D 92, 2002b. Standard test method for flash and fire points by Cleveland open cup tester. ASTM International.
6. American Society for Testing and Materials (ASTM) D 93, 2002c, Standard test methods for flash point by Pensky-Martens closed cup tester. ASTM International.
7. American Society for Testing and Materials (ASTM) D 1310, 2001 a. Standard test method for flash point and fire point of liquids by tag open-cup apparatus. ASTM International.
8. American Society for Testing and Materials (ASTM) D 3278, 2004, Standard test methods for flash point of liquids by small scale closed-cup apparatus. ASTM International.
9. American Society for Testing and Materials (ASTM) D 3828, 2002d, Standard test methods for flash point by small scale closed cup tester. ASTM International.
10. American Society for Testing and Materials (ASTM) D 3934, 2001c, Standard test method for flash/no flash test-equilibrium method by a closed-cup apparatus. ASTM International.
11. American Society for Testing and Materials (ASTM) D 3941, 2001b, 1996, Standard test method for flash point by the equilibrium method with a closed-cup apparatus. ASTM International.
12. American Society for Testing and Materials (ASTM) E 502-84, 2000, Selection and use of ASTM standards for the determination of flash point of chemicals by closed cup methods. ASTM International.
13. American Society for Testing and Materials (ASTM) E 1232-02, 2002, Standard test method for temperature limit of flammability of chemicals. ASTM International.
14. Boublík, T., Fried, V.e. and Hála, E., 1984, The Vapour Pressure of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and low Pressure Region, 2nd rev. (Elsevier Science Pub. Co.).
15. Choe, M.H. and Schecker, H.G., 1988, Flash points of multicomponent liquid-mixtures - comparison of experimental and calculated values, Chem-Ing-Tech, 60(2): 124-125.
16. Crowl, D.A. and Louvar, J.F., 2002, Chemical Process Safety: Fundamentals with Applications, 2nd edition (Prentice Hall PTR).
17. Ellis, W.H., 1976, Solvent flash points - expected and unexpected, J Coating Technol, 48(614): 44-57.
18. Frisch, M.J. et al., 2004 Gaussian 03 (Gaussian, Inc., Wallingford, CT, USA).
19. Gmehling, J. and Rasmussen, P., 1982, Flash points of flammable liquid-mixtures using unifac, Ind Eng Chem Fund, 21(2): 186-188.
20. Hanley, B., 1998, A model for the calculation and the verification of closed cup flash points for multicomponent mixtures, Process Saf Prog, 17(2): 86-97.
21. Hiaki, T., Taniguchi, A., Tsuji, T., Hongo, M. and Kojima, K., 1996, Isobaric vapour-liquid equilibria of octane + 1-butanol, +2-butanol, and +2-methyl-2-propanol at 101.3 kPa, J Chem Eng Data, 41(5): 1087-1090.
22. ILPI (Interactive Learning Paradigms Incorporated), 2004, The MSDS HyperGlossary: Flash Point. Available at: http://www.ilpi.com/msds/ref/ flashpoint.html.
23. Karelson, M., 2000, Molecular Descriptors QSAR/QSPR (John Wiley & Sons, Inc., New York, USA).
24. Katritzky, A.R., Petrukhin, R., Jain, R. and Karelson, M., 2001, QSPR analysis of flash points, J Chem Inf Comp Sci, 41(6): 1521-1530.
25. Khalfaoui, B., Meniai, A.H. and Borja, R., 1997, Thermodynamic properties of water + normal alcohols and vapour-liquid equilibria for binary systems of methanol or 2-propanol with water. Fluid Phase Equilibr, 127(1-2): 181-190.
26. Klamt, A., 1995, Conductor-like screening model for real solvents - a new approach to the quantitative calculation of solvation phenomena, J Phys Chem, 99(7): 2224-2235.
27. Klamt, A., 2003, COSMO-RS: a novel bridge from quantum chemistry to fluid phase thermodynamics, Abstr Pap Am Chem S, 226: U432-U433.
28. Klamt, A. and Eckert, F., 2000, COSMO-RS: a novel and efficient method for the a priori prediction of thermophysical data of liquids. Fluid Phase Equilibr, 172(1): 43-72.
29. Lenoir, J.M., 1975, Predict flash points accurately, Hydrocarb Process, 54(1):95-99.
30. Liaw, H.-J. and Chiu, Y.-Y., 2003, The prediction of the flash point for binary aqueous-organic solutions, J Hazard Mater, A101: 83-106.
31. Liaw, H.-J., Lee, T.-P., Tsai, J.-S., Hsiao, W.-H., Chen, M.-H. and Hsu, T.-T., 2003, Binary liquid solutions exhibiting minimum flash-point behavior, J Loss Prevent Proc, 16(3): 173-186.
32. Liaw, H.-J., Lee, Y.-H., Tang, C.-L., Hsu, H.-H. and Liu, J.-H., 2002, A mathematical model for predicting the flash point of binary solutions, J Loss Prevent Proc, 15(6): 429-438.
33. Lin, S.-T. and Sandler, S.I., 1999, Infinite dilution activity coefficients from ab initio solvation calculations, AIChE J, 45(12): 2606-2618.
34. Mashuga, C.V. and Crowl, D.A., 2000, Derivation of le Chatelier's mixing rule for flammable limits, Process Safe Prog, 19(2): 112-117.
35. McGovern, J.L., 1992a, 4 methods for predicting the flash-point of alkyd paints containing Vm- and P-naphtha and mineral spirits 1, J Coating Technol, 64(810): 33-38.
36. McGovern, J.L., 1992b, A method for estimating the flash points of coatings containing mixtures of oxygenated and hydrocarbon solvents and petroleum distillates 2, J Coating Technol, 64(810): 39-44.
37. Nanu, D.E. and Loos, T.W.D., 2004, Limiting activity coefficients of aqueous flavour systems at 298 K by the group contribution (GCS) model, Mol Phys, 10(3): 235-241.
38. Neiman, M., Cheng, H., Parekh, V., Peterson, B. and Klier, K., 2004, A critical assessment on two predictive models of binary vapour-liquid equilibrium, Phys Chem Chem Phys, 6(13): 3474-3483.
39. NFPA 325, 1994, Fire hazard properties of flammable liquids, gases, and volatile solids (NFPA, Quincy, MA, USA).
40. Orbey, H. and Sandler, S.I., 1998, Modeling Vapour-Liquid Equilibria: Cubic Equations of State and Their Mixing Rules (Cambridge University Press, New York, USA).
41. Poling, B.E., Prausnitz, J.M. and O'Connell, J.P., 2001, The Properties of Gases and Liquids, 5th edition (McGraw-Hill, New York, USA).
42. Rybicky, J. and Stevens, J.R., 1981, Deceptive closed cup flash points of solvent mixtures containing chlorinated solvents, J Coating Technol, 53(676): 40-42.
43. Satyanarayana, K. and Rao, P.G., 1992, Improved equation to estimate flash points of organic-compounds, J Hazard Mater, 32(1): 81-85.
44. Sum, A.K. and Sandler, S.I., 1999, A novel approach to phase equilibria predictions using ab initio methods, Ind Eng Chem Res, 38: 2849-2855.
45. University of Illinois at Chicago, Thermodynamics Research Laboratory. Nano, Quantum & Statistical Mechanics & Thermodynamics.
46. Ural, E.A., Fruirip, D., Britton, L., Fenlon, W., Going, J., Harrison, K. and Niemeier, J., 2004, The role of ASTM E27 methods in hazard assessment, 38th Loss Prevention Symposium, AIChE Spring National Meeting, New Orleans, USA.
47. Wang, N.S., 2002, University of Maryland - Antoine coefficients data. Available at: http://www.glue.umd.edu/~nsw/ench250/antoine.dat.
48. Wu, D.T. and Finkelman, R., 1978, A mathematical model for the prediction of closed cup flash points, Organic Coatings and Plastics Chemistry, 38: 61-67.