A phenomena-based modeling laboratory for synthesis, modeling and analysis in chemical engineering

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What is MODEL.LA?

MODEL.LA is a computer-aided phenomena-based modeling laboratory that supports synthesis, modeling and analysis activities in chemical engineering:

• Build models by declaring relevant structure and elementary physical and chemical phenomena (e.g., system boundaries, heat and mass transport, reactions, phase equilibria, etc.) - not predefined unit operations.

• MODEL.LA automatically generates the model equations from first principles, guides the modeler through the selection of design variables to fully specify the problem, and numerically solves the steady-state or dynamic model equations.

• Choose from a library of thermodynamic property models, kinetic rate expressions, and heat and mass transfer mechanisms spanning the breadth of chemical engineering science - or enter your own correlations as user-defined equations.

• Tailor the model to your problem by toggling simulation options, e.g.: Dynamic or Steady State Balance Equations? Include Energy Balances? Include Entropy Relationships?

• Save models as library templates that can be integrated into larger models.

• MODEL.LA includes thermodynamic and physical property software (EOS++ and Activity++) provided by Virtual Materials Group:
  • Select chemical species from a database of 1700+ compounds (100+ properties per compound)
  • Select from 15+ equations of state and activity coefficient models for industrial strength calculation of mixture properties.
  • Database includes 100,000+ binary interaction parameters.

To get a better feel for the features and capabilities of MODEL.LA, please view our animated demo.

Why integrate MODEL.LA into the undergraduate chemical engineering curriculum?

The development of MODEL.LA was motivated by an educational initiative to expand the range and complexity of problems that undergraduate chemical engineering students could tackle. As a result, MODEL.LA has been designed so that it

• Allows students at any level to move beyond canned analytical exercises and extend textbook knowledge to the more challenging engineering tasks of synthesis and modeling.

• Is easy-to-use, yet flexible and powerful enough to model most chemical processes.

• Can be used throughout the entire undergraduate chemical engineering curriculum to exhibit how fundamental principles of chemical engineeering science are applied to practical engineering problems.

Who is behind MODEL.LA?

The development of MODEL.LA was initiated through a collaborative effort between research groups at the Massachusetts Institute of Technology and the University of California at Berkeley. Current and past participants in the development of MODEL.LA and supporting materials include:

Team Members at MIT:

Prof. George Stephanopoulos

Jerry Bieszczad

Alexandros Koulouris

Manuel Rodriguez

Team Members at UC-Berkeley:

Prof. Alan Foss

Kevin Dahm

Kevin Geurts

Pete Goodeve

The developers gratefully acknowledge the National Science Foundation for support of this project.