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pTM January 2023 Thermo calc Vapor-Solid Distribution

System

Sys AB_:

PC 1760 / :

Constants

Ro 8.314 :

T0K 273.15 :

HSC 2 :

Temperature

T 800 T0K + :

P 50 :

Torr

Energy

T ΔGA 4001000 * T 190 * - :

A-B Ωi

Ωi 2500 :

T ΔGB 3801000 * T 210 * - :

Flows

ϕpt 50 :

ϕtl 12500 :

ϕB ϕpt 0.01 * :

ϕH2 ϕtl ϕpt - :

pzpt ϕpt ϕtl / P PC / * :

pzH2 ϕH2 ϕtl / P PC / * :

pzB ϕB ϕtl / P PC / * :

Partial Pressuresatm

pzB pzA pzpt pzB - :

xv pzB pzpt / :

Mole fraction vapor

pzB pA pB x pzB pB - pzB pzA pA - pzB + pB - / :

Mole fraction solid

pzB pA pB aA 1 pzB pA pB x - (e Ωi Ro T * / pzB pA pB x (2^*^* :

Activities

pzB pA pB aB pzB pA pB x e Ωi Ro T * / 1 pzB pA pB x - (2^*^* :

K0A e T ΔGA Ro T * / -^:

K0B e T ΔGB Ro T * / -^:

EquilibriumConstants

pzB pA pB KA pzB pA pB aA 2 pzB pzA pA - (* (2^* pA / :

pzB pA pB KB pzB pA pB aB 2 pzB pB - (* (2^* pB / :

pzB 1.52

recast the system x y KA pzB x y aA 2 pzB pzA x - (* (2^* x / : x y KB pzB x y aB 2 pzB y - (* (2^* y / : 21 sys

x 0 KA x 0.001 KB 2 1 sys

recast system for solving convenience ... pzB 1.52 = x y KA pzB x y aA 2 pzB pzA x - (* (2^* x / : x y KB pzB x y aB 2 pzB y - (* (2^* y / : 31 sys

From there, you can solve KA(x,y)and/or KB(x,y) either one solving for ranged 'x' fixed 'y' or vice versa ... else composite invention.