5demayo: A solution for representing a wide range of thermodynamic and rate data for concentrated solutions of piperazine loaded with CO2

Computing & Wireless : Utility Software

Available for non-exclusive licensing

Inventors

  • Gary Rochelle, Ph.D. , Chemical Engineering
  • Jorge Plaza, Ph.D. , Chemical Engineering
  • Peter Frailie II, Ph.D. , Chemical Engineering
  • David Van Wagener, Ph.D. , Chemical Engineering
  • Stephanie Freeman, Ph.D. , Chemical Engineering
  • Qing Xu, Ph.D. , Chemical Engineering
  • Bich-Thu Nguyen, Ph.D. , Chemical Engineering

Background/unmet need

This software solves the difficult problem of representing a wide range of thermodynamic and rate data for concentrated solutions of piperazine loaded with CO2. It represents protonated piperazine carbamate as a Henry’s constant. The software also represents the performance of reactive absorbers and strippers.

Invention Description

5demayo is a data insert/input file for AspenPlus that provides process modeling for the design and simulation of a process for CO2 capture from gases by aqueous piperazine. It will be used by designers of this process and by others who may wish to evaluate the process.  

Benefits/Advantages

    Accurate, robust model for estimating the performance of C02 capture by aqueous piperazine from coal or gas-fired flue gas or from other gases.

Features

  • All of the thermodynamic data for aqueous piperazine/CO2 have been regressed to provide parameters for the electrolyte/NRTL model.
  • An absorber model has been developed which includes the thermodynamic model and represents mass transfer with diffusion and reaction in the boundary layer.
  • A model of the stripper that uses equilibrium reactions with rate-based mass transfer.

Development Stage

Beta product/commercial prototype