Gj. Tjatjopoulos et Ia. Vasalos, EQUILIBRIUM-ANALYSIS OF SYNTHESIS GAS WITH COMPOSITION-DEPENDENT DEGREES OF FREEDOM, Chemical engineering communications, 168, 1998, pp. 171-185
An analysis is presented of the equilibrium composition of syngas mixt
ures parametrized in terms of the syngas ratio and the hydrogen mole f
raction, for fixed values of pressure and temperature. Conditions for
the existence of single or multiple carbon-free solutions are determin
ed by analysis of the carbon affinity equation, formulated by the meth
od of atomic potentials. The system is characterized by two curves des
cribing the maximum possible mole fraction of hydrogen, and the mole f
raction of hydrogen at unit carbon affinity. These curves are tangent
to each other at a single contact point. The unit carbon affinity curv
e consists of two branches, corresponding either to the higher or to t
he lower carbon affinity root becoming equal to one. These branches jo
in together at the contact point of the maximum bounding and unit carb
on affinity curves. The syngas ratio at the contact point is pressure-
independent and is expressed as a function of temperature. A single ca
rbon-free solution is obtained in the region below both branches of th
e unit carbon affinity curve. It is shown, however, that two distinct
carbon-free solutions can be constructed in the region enclosed betwee
n the maximum bounding curve and the right branch of the unit carbon a
ffinity curve.