Simulation of Conversion Reactors
Simulation of Conversion Reactors
Conversion reaction: This reaction type does not require any thermodynamic knowledge. You
must input the stoichiometry and the conversion of the basis reactant. The specified conversion
can not exceed 100%. The reaction will proceed until either the specified conversion is
achieved or a limiting reactant is consumed completely.
Conversion reactions may not be grouped with any other form of reaction in a reaction set.
However, they may be grouped with other conversion reactions and ranked to operate either
sequentially or simultaneously. Lowest ranked reaction occurs first (may start with either 0 or
1). Just as with single reaction, simultaneous reactions can not total over 100% conversion of
the same basis.
Conversion reactions can not be used with plug flow reactors (PFRs) or continuous stirred tank
reactors (CSTRs). In general, they should be only be used in conversion reactor.
The interest in production of hydrogen from hydrocarbons has grown significantly in the last
decade. Efficient production of hydrogen is an enabling technology, directly related to the fuel
cell energy conversion device. The conversion of fuels to hydrogen can be carried out by the
partial oxidation. The partial oxidation method relies on the reaction of the fuel, for example,
methane (100 kgmol/h, 25 C, 2 bar) with air (260 kgmol/h, 25 C, 2 bar,) in order to produce
Develop a model that represents partial oxidation of methane to produce Hydrogen, and find
the molar flowrate of the following component in the product vapor stream.
Components Flowrate
Methane
Oxygen
CO2
Nitrogen
CO
Hydrogen
Example 2: Process involving reaction and separation
The toluene production process is started by heating n-heptane from 65 to 800F in a heater. It
is fed to a catalytic reactor, which operates isothermally and converts 15 mol% of n-heptane to
toluene. Its effluent is cooled to 65F and fed to a separator (flash). Assuming that all of the
units operated at atmospheric pressure, determine the species flow rates in every stream.
Ethyl chloride will be produced by the gas-phase reaction of HCl with ethylene isothermally,
over a copper chloride catalyst supported on silica as:
The feed stream is composed of 50 mol% HCl, 48 mol% C2H4, and 2 mol% N2 at 100 kmol/hr,
25 C, and 1 atm. Since the reaction achieves only 90 mol% conversion, the ethyl chloride
product is separated from the unreacted reagents, and the latter is recycled. It is assumed that a
perfect separation is achieved at 25 C where the product (i.e., ethyl chloride) is recovered as
bottom product with 100 % purity. The process is operated at atmospheric pressure, and
pressure drops are ignored. To prevent the accumulation of inerts in the system, 10 kmol/hr is
withdrawn in a purge stream, W. Show the effect of the flowrate of the purge stream W on the
recycle R and on the composition of the reactor feed.