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How to best simulate heating of reaction vessel

Question asked by Joshua Joshua Meehl on Sep 30, 2020

I have a reaction vessel for a chemical process.  The vessel has a poly base with a stamped recess and is covered by a poly adhesive film.  The vessel contains water with an air gap.  The vessel reaches temperatures of 95°C.  


Things I want to model:

  1. Pressure increase from the expansion of air (think ideal gas law) due to heating
  2. Increase of vapor pressure in air pocket due to the water due to heating.
  3. Deformation of both poly parts due to increasing internal pressure and constant ambient pressure
  4. Stress on adhesive "weld" around circumference of reaction vessel.


So items 1 & 2 appear to be CFD simulations and 3 & 4 to be FEA simulations. 


Details I want feedback on:

  1. Transient Thermal Simulation - I plan on having initial conditions of reaction vessel at 20°C with an ambient heat of 95°C
  2. Pressure Increase of Heated Air - does Flow Sim explicitly model ideal gas law, or do I need to define a pressure relationship relative to temperature?
  3. Vapor Pressure Increase of Heated Water - I'm planning modeling the water as a free surface.  Can Flow Sim explicitly model water evaporation, or again, do I just define the relationship of the pressure vs temperature?
  4. Interaction of Internal Pressure and Deformation - As the reaction vessel undergoes elastic deformation, the internal volume will increase.  This will decrease the internal pressure (ideal gas law) until an equilibrium is reached. 


I look forward to hearing your ideas!