modeling vessel reactors in CHEMCAD

Do you have an existing vessel reactor in your process? Often, we hear from customers that they have an existing operating procedure, but they aren't sure exactly how much time the reaction actually requires.

Maybe you have a basic reaction analysis from an R&D group that requires scale-up from the lab to a full-scale vessel reactor. We've worked with organizations that would like to use the same software tool for R&D, process development, and operations.

CHEMCAD has you covered.

It's helpful to think of reaction systems in four parts: (1) the reactants/products/by-products, (2) the reaction, (3) the vessel, and (4) the operation step(s).

For the chemicals, CHEMCAD's database of physical properties includes all the DIPPR(TM) data for pure compounds, as well as a wide variety of methods for calculating mixture properties and the phase equilibria.

For the reaction, you can specify Arrhenius constants (or extended Langmuir-Hinshelwood constants), or you can define your own reaction equation for ultimate flexibility. If you don't yet have the kinetics worked out, CHEMCAD also includes regression facilities that you can use with laboratory or operating data.

For the vessel, you can simulate everything from a laboratory flask to a full-scale, continuously stirred tank reactor (CSTR) with jackets and coils. You can define ancillary equipment like pumps, control valves, and PID controllers for feed streams, product streams, and utilities. Add a vent condenser or even a distillation column to the top of the reactor. You can even model safety scenarios by adding relief devices to the vessel.

For the operation step(s), CHEMCAD's dynamic simulation system allows you to set run times, control schemes, dosing rates, ramp controls, and more. CHEMCAD will rigorously calculate properties, reaction rates, phase equilibria, pressure (if desired), and heat transfer for heating/cooling systems. You'll see volume, composition, temperature, pressure, and more versus time so you can optimize your design or your existing operations. And, of course, you can model batch, semi-batch, or continuous operation.

Want to join the ranks of customers who've successfully designed and optimized their vessel reactors? Contact your CHEMCAD sales or support representative today!