Project Synopsis

Perform dynamic process simulations for new products being transitioned from laboratory development to full scale batch chemical production.

Project Summary


The client, a producer of chemical additives, was in the process of developing a new product to be introduced and produced at one of their existing facilities.  Site engineering had completed initial assessments and made preliminary equipment selections for the batch process; however, better definition of certain operating parameters was desired for the transition from lab to production scale.  Process Engineering Associates, LLC (PROCESS) was contracted by the client to assist by developing dynamic batch simulations for the process and report estimates for certain operating conditions.

Three (3) batch recipes were evaluated, each with a varied solvent content.  The intent of the model was to provide a complete heat and material balance (HMB), identify limitations of existing or proposed assets, and determine a base set of expected operating parameters.

For each case, the model was carried from an initial inerted condition through final reaction conversion.  Client lab data were used to develop a generalized expression for reaction rate with the primary intent of providing reasonable representations of overall cycle times.  Being an endothermic reaction with no gas generation, the focus was on providing a basis for evaluating bulk heating and cooling requirements.  These reaction rate estimates, coupled with the integration of reactor jacket heat transfer characteristics, allowed for dynamic modeling of the process.

From the model, the client was provided a complete HMB for each discrete time interval including temperature; pressure; reactor composition; reactor jacket and overhead condenser duties; and vent stream rates and composition.  In addition, cycle time estimates and recommendations for certain operating parameters were provided based on observations made during the simulated runs.

Industry Type

  • Specialty Chemicals Manufacturing

Utilized Skills

  • Dynamic batch process simulation
  • Cycle time estimation

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