A summary of my modeling and analytics research before I entered the battery/electrochemistry domain
I'm a chemical engineering by undergrad and (partially) masters' training, but landed into the emissions and air quality domain more out of fate, less out of passion. Eventually I felt like a fish out of water and thirsted to return back to my parent domain, and found the clean/electrochemical technology sector the best segway. The presentation included describes my adventures prior to this career shift. These include:
- Stochastic reactor modeling: simulation of gas-phase titanium dioxide nanoparticle formation, coagulation and finite rate sintering in an externally heated plug flow reactor with a bell-shaped temperature distribution
- Modeling tracer oxidation for gasoline particulate exhaust and its impact on receptor modeling
- Developing an emissions inventory (mass source term in a continuity equation for beginners) related to criteria pollutant emissions from well development, gas production and processing activities in the Marcellus Shale, and evaluating these emissions in a chemical transport model (transport-phenomena based air quality modeling)
- Effect of temperature and driving conditions on gasoline exhaust VOC emissions
- Real-world emissions from diesel-powered construction equipment using PEMS and OBD data.
My experiences in the battery domain include:
- Single particle modeling to compare surface layer concentrations in pseudocapacitive and bulk LMO cathodes
- Usage of IVT data from dataloggers to identify degradation mechanisms in lead-acid batteries
- COMSOL modeling to identify the optimum negative current collector geometry in molten calcium batteries
- Equivalent circuit optimization for molten calcium cells
The raw data is unfortunately the property of the organizations where I did these pieces of work, hence unfortunately it's not possible to share the scripts or raw data publicly, but if you want access to these and the associated papers, I'm happy to share privately.