Reaction Engineering Validated by Experimental Study

LOCATION: Canada

Complex Slurry Reaction Mechanistic Modeling

Client Objective

A startup developing a novel process for battery material production was observing significant product profile differences when scaling their process from the lab to a large industrial sized reactor. The reaction involved complex chemistry with multiple reagents and several intermediates formed and consumed during the course of the reaction before reaching a final product. They reached out to the AGEIAS team for help.

The AGEIAS Approach

Scaling the process is more complicated than just “scaling the experiment”. Transport phenomena, equipment geometry, kinetics, and thermodynamics all play a role in influencing results. Simply scaling the volume of a reactor without consideration for these parameters often lead to undesirable results. AGEIAS proposed revisiting the reaction at lab scale to build a better fundamental understanding of chemistry and intrinsic reaction properties through experimental study. As part of the study, the AGEIAS team:

Conducted literature reviews to gain insight into possible mechanistic interactions between reagents and intermediates
Developed robust analytical methods to measure key component concentrations during the reaction
Designed experiments to isolate variables and deconvolute intrinsic and extrinsic properties
Built a predictive mechanistic reaction model

Customer Value

AGEIAS’ approach — taking a step back to develop a stronger fundamental understanding of the overall process — provided the client with an invaluable predictive tool to troubleshoot process challenges and enable effective, predictable reactor scale-up.

Capabilities Demonstrated

Process troubleshooting
Reaction characterization
Analytical method development
Mechanistic reaction modelling
Design of experiments
Targeted literature review

How We Help You

Whether scaling a novel process or troubleshooting a mature process, a foundational understanding of the reaction chemistry is the strongest tool in your arsenal.