Performance equations for reactors

output = f(input, kinetics, contacting pattern) e.g. Fig.4.1.1 (Rich) Mixed reactor with first order reaction kinetics
We have now seen other reaction rate expressions. These were obtained in batch reactors, so we are already familiar with them. There are other reactor types as well.

Rich, Fig. 4.1.1

Review of figures from Levenspiel

Fig. 4.1 Reactor types Fig. 4.2 and Eqn.1 Material balance on a reactor volume element Fig. 4.3 and Eqn.2 Energy balance on a reactor volume element Fig. 4.4 Review of notation for batch reactors Fig 5.3 Notation for a mixed reactor Fig. 5.5 Notation for a plug flow reactor Fig. 5.1 The three ideal reactors Fig. 11.1 nonidealities in flow patterns

Notation Summary
C : concentration, mol/L X : conversion V : volume, L v : volumetric flowrate, L/h F : molar flowrate, mol/h Subscripts: A : reactant A 0 : initial or inlet f : final or outlet

Performance equation for a batch reactor reaction = accumulation (no input or output)

dNA dCA rAV ; rA dt dt which can also be written : N A 0 dX A dX A rA ; rA C A 0 V dt dt integrating these:

dt N
A0 0 0

XA

1 dX A ; rAV

dt C
A0 0 0

XA

1 dX A rA

Figure5.2 gives graphical interpretation

Observations on Figure 5.2

The reaction rate rA has been left as an algebraic symbol in the previous expressions. In each specific case there will be an algebraic relation in terms of concentrations and the rate constant, e.g. -rA = kCA For batch systems constant density means constant volume We can use either CA or XA as the variable for monitoring the progress of reaction

Two important concepts for flow reactors

V (volume of reactor) v 0 (volumetri c flow rate)

Performance equation for mixed flow reactor steady state case: (no accumulation)

INPUT : FA 0 v 0C A 0 OUTPUT : FA FA 0 (1 X A ) REACTION : rAV FA 0 FA 0 (1 X A ) rAV V XA FA 0 rA using the definition s of space time and space velocity : V 1 CA0 X A v0 s rA

Steady state mixed flow reactor

V 1 CA0 X A v0 s rA
Again, there will be an algebraic relation in terms of concentrations and the rate constant for each specific case, e.g. -rA = kCA CA does not change with time For a well mixed reactor CA is the same at all points in the reactor and is equal to the outlet concentration CAf

Steady state mixed flow reactor

V 1 CA0 X A v0 s rA

CA0

1 XA rA

area of rectangle on y vs x coordinates = (y)(x)

Thus Fig 5.4 gives the graphical interpretation of the performance equation for a mixed flow reactor, comparable to the one for the batch reactor (Fig. 5.2)

Performance equations
Batch Reactor Mixed Reactor

CA0

XA

1 dX A rA

CA0 X A rA

dt
0

These can be found in Table 5.1.

Table 5.1 Performance Equations

Table 5 lists the general forms of the performance equations derived above for Batch and Mixed flow reactors.
It also lists the specific forms for oth, 1st, 2nd, nth order reactions and first order reversible reactions. It lists the performance equations in terms of both C and X

You will have access to Table 5.1 in exams. You need to know what use you can make of it.

Performance equation for plug flow reactor steady state case: (no accumulation)

Mass balance on cylindrical element of small thickness:

INPUT OUTPUT CONSUMPTIO N FA FA dFA rAdV

From the definition of XA, FA=FA0(1-XA) dFA=-FA0dXA Substituting, we get: FA0dXA = (-rA) dV

Performance equation for plug flow reactor:

1 dV FA 0 0 V FA 0

X Af

1 dX A rA

CA0

CA0

X Af

1 dX A rA

But this is exactly what we had for a batch reactor! Consecutive elements in a plug flow reactor can be analyzed as individual batch reactors

Systems with varying density

Fractional change in volume of the system between no conversion and complete conversion of reactant A: (Equation 64, Chp 3)

VX A 1 VX A 0 VX A 0

Typically negligible for liquid systems. Can be determined from stoichiometry for gaseous systems

Systems with varying density

V V0 (1 A X A ) N A N A0 (1 X A ) N A N A0 (1 X A ) 1 X A CA C A0 V V0 (1 A X A ) 1 A X A re - arranging : XA 1 CA 1 A C A0 C A0

CA

 Table 5.1 gave performance equations for the case of constant density, A=0 Table 5.2 gives performance equations for the case of varying density, A 0

 Example 5.1 demonstrates that we can observe the reaction rate in a mixed flow reactor by observing the steady state concentrations going in and out of the reactor We do not even have to use stoichiometry for observing this but the stoichiometry can also be deduced Observing the reaction rate does not mean we obtain a reaction rate expression, or a reaction mechanism

 Example 5.2 demonstrates that we will need multiple runs in a mixed flow reactor to arrive at a reaction rate expression

 Example 5.3 demonstrates the design of a mixed flow reactor (i.e. the determination of the size) and the operating conditions (flowrates) required to achieve a given objective when the reaction stoichiometry and reaction rate expressions are known (probably determined in a batch reactor beforehand, using the methods of Chapter 3)

 Example 5.4 demonstrates the design of a plug flow reactor (the determination of space time, hence the size for a given flowrate) required to achieve a given objective when the reaction stoichiometry and reaction rate expressions are known (probably determined in a batch reactor beforehand, using the methods of Chapter 3) It also demonstrates that the integral involved in the performance equation of a PFR can be evaluated graphically or numerically, as well as analytically when that is possible.