A DETAILED MODEL EQUATION FOR THE GAS PHASE SPECIES BALANCE FOR A DYNAMIC 2-D HETEROGENEOUS MODEL FOR

WATER GAS SHIFT REACTORS Victor Nnamdi Emenike

Adapted from Thomas A. Adams II and Paul I. Bartons work

Model Equation Gas Phase Species Balances: The dynamic species balance for the bulk gas phase outside of the catalyst is given as follows: ..(*)

.. (i.) (ii.) Where V = Volumetric flow rate. Differential volume element is given as:

Where

Where u = linear gas velocity. Differentiating equation (iv) with respect to z:

The

term in equation (*) can be rewritten as:

Applying product rule of differentiation, we have:

From equation(iv), we have:

From equation (v.), we have :

Substituting for equations (vii.) and (viii.) for the V and

terms respectively in equation (vi), we have:

Simplifying further, we have:

With ideal gas approximation, the linear velocity is given as follows:

Where, V is the volume element, P is the pressure, no = initial number of moles, R = Universal gas constant, T = temperature Dividing equation (xi.) by time, t, we have:

Where Fo and V are the total inlet molar flow rate and Volumetric flow rates respectively. From equation (xii.), we have:

Substituting equation (xiii.) for V in equation (iv.), we have:

Where = GR and Differentiating equation (xiv.) with respect to z:

Factorizing:

Substituting equations(xiv.) and (xv.) into equation (x):

Substituting equation (i.) and (xvi.) into equation (*):

Hence, the final species balance in terms of independent variables T, P, and Ci is given below:

Major Reference T.A. Adams, P.I. Barton. A dynamic two-dimensional heterogeneous model for water gas shift reactor. Int J Hydrogen Energy 2009; 34:8880.