(724a) Developing a Simulation Framework for Optimizing CO2-Capture Processes

DEVELOPING
A SIMULATION FRAMEWORK

FOR
OPTIMIZING CO₂-CAPTURE PROCESSES

Stuart Higgins and Y. A. Liu

PetroChina-AspenTech Center of
Excellence in Process System Engineering,

Department of Chemical Engineering,
Virginia Polytechnic Institute and State University,

Blacksburg, VA 24061

We have reported¹ a highly efficient, amine-based
CO₂-capture unit design, achieving a thermal regeneration energy of merely
1.67 GJ/(tonne CO₂ captured). 
While our results look promising, the optimization of our process
superstructure required a significant amount of effort, largely due to the
number of optimization parameters and our use of computationally expensive
rigorous models.

This experience motivated us to develop a more practical simulation
framework.  We focus on a modular design
that allows us to use commercial modeling tools, and develop an overall
simulation structure to take advantage of multi-threading, distribution, custom
convergence methods, error recovery, and other features for increasing
productivity.

Our new software framework enables faster, more reliable, more
productive process optimization, while still using the same rigorous modeling
tools validated by respected vendors. 
Multi-threading allows us to take advantage of the increasing core
counts on modern CPUs, while distribution is similarly important as
computational devices become more numerous.

In this talk, we will discuss the simulation framework and its
application to optimize generalized process designs.  We expect these improvements to enable
optimizations that would otherwise require far too much time and effort to
complete.  We are particularly interested
in superstructure process designs that generalize base-case process designs
with potential improvements, because we can optimize these superstructures to
find new process designs.

¹ Stuart J. Higgins and Y. A. Liu, “CO₂
Capture Modeling, Energy Savings, and Heat Pump Integration”, Industrial and Engineering Chemistry
Research, 54, 2526-2553 (2015).