! Glaude, P. A., Melius, C., Pitz, W. J., and Westbrook, C. K., ! “Detailed Chemical Kinetic Reaction Mechanisms for Incineration of Organophosphorus and ! Fluoro-Organophosphorus Compounds”, Proceedings of the Combustion Institute, Volume 29, pp. 2469-2476, 2002, UCRL-JC-146563. ! UCRL-WEB-204236 ! Review and release date: May 19, 2004. ! orgphos_v1.dat: 10/01: from the thermdat file left by PA Glaude when he departed LLNL. orgphos_v2.dat: 10/31/01: corrected pof[oh]2 and pof[oh]o These species got corrupted. Got new info. from P.A.Glaudes mac files. orgphos_v3.dat: 10/31/01: corrected pof[oh]2 and pof[oh]o I smoothed the value of Cp at 600K. I added rotors to the list file. I had to use a wilhoit fit for pof[oh]o to get a good fit. (otherwise the values above 1700K were way off. orgphos_v4.dat: 11/9/01: corrected p[oh]3 and p[oh]2[ome] lst file from P. Glaude in 11/8/01 email. CBS-q calculations with isodesmic corrections, S and Cp estimated with vibrations analysis and rotors contributions (vibir calculation from Bozzelli) orgphos_v5.dat: 11/23/01: changed species name hco2h to hocho as in nc7_38 Added c3 species from nc7_38c.therm ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~