Chemical Process Synthesis (ChE 391)

Simulation Heuristics

The following are some important heuristics used in the simulation of chemical plants.
Following these heuristics will help the student to properly simulate a plant from simple
process description:

1. In simulators, reactors have two exit stream as a default shape. Usually one
stream is the reactor output and the other stream has zero flow. It is important to
make sure that the downstream units are connected to the correct stream that
contains the reactor output.
2. The given reactor conditions should be simulated/checked for the reactor outlet
stream.
3. Isothermal reactors have inlet temperature equals to outlet temperature while
adiabatic reactors have zero heat supply.
4. For the outlet streams from units, we usually specify temperature and pressure
then the flow, composition and vapor fraction are calculated by the simulator.
5. Only pumps and compressors increase the pressure of streams; other units
decrease the pressure (pressure drop). Pressure drop heuristics are listed in chapter
6 but if no values are found, the worst assumption is zero pressure drop. For
pumps and compressor, you have to specify the outlet pressure only.
6. If the feed to distillation columns contains non-condensable gases (e.g. N2, CO2,
…) then total condensers should be avoided due to very low temperature for
operation.
7. To simulate recycles in plants, it is important to estimate the recycle flow and
composition and include this estimated stream from the beginning of the
simulated plant. At the end, the produced recycle stream should be very similar to
the estimated one and then the recycle block is connected.
8. Usually, the reaction section is operated at high pressure and the separation
section at low pressure.
9. Distillation columns needs time and knowledge to converge; therefore, use as
much as possible correct data in these units. The number of specifications used
equals to the number of outlet. If the column didn’t converge you can try the
following:
a. Change the number of trays.
b. Use less severe specification.
c. Change the fluid package.
d. Use the reflux ratio as one of the specifications and make it as low as
possible.

10. If a “Specification Error” appears during simulation, this means that a certain
value is calculated by the simulator and at the same time another value is set by
the user.