OCR Text |
Show For _ mi)Cture of n apRcie,., the Glbb5 ~ree Rl'ler,y per kile,;yof., e.f Mi)Cture is given by " II • ~JJ.JnJ (2) J.' where g is the Gibbs free el"tergy,.!'J i& the chernical pe,tey.tial per kilogram-mole of species J, and nJ is thE number of kilosram-mo l Es of specles J per kilogram of mi~ture. At equilibriuM this function i& minimi%ed. The miniMiz~tion 1S s ubject to mass balance constraints. ~ase~ on the equation of state (equatlon 1) t ~e chern i CC\ 1 pe.t el"lt i a 1 rnay be wr 1 t t. er. fJ.J • • + RT In J n J - + RT In Patin n (J • 1, .•••• ) .(3 ) (J. "", .... n) where J for gases (J C 1 to m) and for condensec ph~se& (J)m) is tne cheMic~l potential in the stan~ard state. A series of equ~tions is generated which must be solved simultaneously. A Newton-Raphson method is used to solve for corrections to in1tial estimates of compositions, n, .nd other key parameters. T~e program is capable of accounting for con~ensed species, phase transitions, triple points where solid, liquid and vapor phases co-e)Cist, 5ingularitles, ions and trace species. The program m~k.5 use of specific heat, enth~lpy .nd entropy as functions of temperature. The functional forms used are: 7 |