Representatives from over 15 companies spent the day reviewing technical progress and discussing ways to facilitate more direct industry collaboration with the CCSI Technical Team to begin early adoption of the CCSI Toolset. During the second day of the meeting, the IAB began preparing a detailed report of their observations. Preliminary feedback indicates a favorable impression of the overall program progress and strong support for the overall approach.
The meeting showcased CCSI technical accomplishments in 5 broad areas: (1) Reactive Kinetics and Particle and Device Scale Models; (2) Process Synthesis & Design; (3) Uncertainty Quantification; (4) Risk Analysis & Decision Making; and (5) Integration Framework and Software Development Support.
The meeting featured computer demonstrations, presentations and posters highlighting the accomplishments, as summarized below.
- Reactive Kinetics and Particle and Device Scale Models. CCSI described a lumped parameter kinetic model for amine-based solid sorbents which accurately captures the competing uptake/release of CO2 and water. This model has been used in both Aspen simulations and CFD simulations. We showed results from CFD simulations for a 1kW solid sorbent adsorber system which has been validated those models against industry data. These are the first CFD models of a solid sorbent adsorber which have been validated against industry data and demonstrate the capability of simulation to accurately predict the performance of such systems. Finally, we showed preliminary simulations of a full scale bubbling bed CO2 adsorption reactor based on a process concept developed under CCSI.
- Process Synthesis & Design. We described new Aspen Custom Models of solid sorbent carbon capture reactors (bubbling fluidized bed and moving bed) we developed, and we demonstrated a new approach for using these models for superstructure-based process synthesis to determine optimal process configurations and conditions.
- Uncertainty Quantification. We demonstrated an interface to enable uncertainty quantification (UQ) tools to interact directly with process simulation tools through a web-based gateway. This capability is an essential first step for quantifying and propagating model and parameter uncertainty across simulation scales.
- Risk Analysis & Decision Making. We demonstrated a framework for the propagation of financial uncertainty, which illustrates information flow from qualitative risk factors and illustrates concepts of probabilistic decision making. We also described a framework for quantification of risk contributors based on a modified technology readiness level concept under development.
- Integration Framework and Software Development Support. We demonstrated a computational prototype for creating a reduced order model from MFIX CFD simulations, and we demonstrated a content management system for sharing models and information among the CCSI team as well as industry collaborators.
Additional discussions during the meeting included the topics of intellectual property management and non-disclosure agreements for facilitating industry collaboration and a panel discussion on specific collaboration opportunities identified by members of the IAB.
CCSI is a partnership among national laboratories (NETL, LANL, LBNL, LLNL, PNNL), industry and academic institutions that is developing state-of-the-art computational modeling and simulation tools to accelerate the commercial development of carbon capture technologies. The meeting highlighted accomplishments achieved with funding from the broader ARRA Carbon Capture and Sequestration Simulation Initiative (C2S2I).