AI-enabled lithium carbonate production with integrated CO2 capture, boosting and optimizing sustainable Li-ion battery production.
A comprehensive framework of AIMD simulations and Rietveld refinement data explaining the 3.2-fold enhancement of CO2 adsorption in humid Cs-RHO zeolites.
Data Analysis for my Bachelor Thesis "Dynamical changes of polyethylene imine in porous silica upon CO_2 sorption"
MATLAB model for continuous TSA-based CO₂ capture from biomass flue gas using Toth isotherms and energy optimization.
CO₂ACT (CO₂ Amine Calorimetry and Thermodynamics) is a mechanistic modeling framework for simulating aqueous CO₂–amine systems. It predicts pH, solution speciation, and reaction thermodynamics by coupling carbonate chemistry, acid–base equilibria, carbamate formation, and titration or ITC experiments for parameter estimation and analysis.
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