Objective and hypothesis
The objective of CapSim is to develop accurate, robust software tools to be used in and with process simulators for standard and novel carbon capture processes. The project also explores how inaccuracies in process design can impact subsequent steps in carbon capture and storage.

Approach
The project aims to improve CO2 capture simulation technology by focusing on two key areas:
• Improving the core multiphase reactive algorithm to enable us to handle complex reactions and multiphase equilibrium efficiently and robustly.
• Better integrate thermodynamics, kinetics, and transport phenomena into the simulation, emphasising their impact on simulation results.

CapSim tackles algorithmic and thermodynamic challenges associated with CO2 capture simulation, using tools like Aspen Plus, Pro/II, CO2SIM, and CAPCO2. It seeks to overcome
challenges related to acidic gases, speciation, reactions, and thermodynamics. CapSim is structured into four work packages: addressing algorithmic challenges, thermodynamic models, process uncertainties, and optimisation. The project utilises advanced algorithms like RAND and focuses on robustness, efficiency, and accuracy.

Expected impact/output
Capture simulation is the vehicle to bring various novel ideas to industrial scale implementation. Advancement of the key capture simulation technologies will enable quicker adoption of new solvents and a more reliable optimisation towards capture with lower energy consumption. Capture is the costliest step in CCS and the bottleneck for the whole chain.