Project Scope
Addressing global climate change requires practical CO2 capture strategies using sustainable, cost-effective adsorbents. This study utilizes Kraft softwood lignin (KSL), a plentiful byproduct from pulp and paper mills, to create recyclable adsorbents, enhanced with lignin-derived carbon quantum dots (CQDs) to boost CO2 selectivity and capacity. CQDs exploit CO2’s unique quadrupole moment through electrostatic interactions, with charge distribution modifiable via nitrogen/oxygen doping or functional group incorporation (amine, carboxyl, hydroxyl). Grand Canonical Monte Carlo (GCMC) and molecular dynamics simulations are being used to analyze CO2 binding strength and selectivity against N2, O2, and H2O in dry/wet flue gas scenarios, revealing tunable adsorption by adjusting CQD type and density on lignin-based carbon substrates. Current research focuses on optimizing the adsorbent’s pore architecture and capillary condensation phenomenon employing GCMC simulations to scale this bio-based solution for industrial CO2 capture. Furthermore, processing a Lignin-Based Carbon Composite (LBCC) material as an adsorbent for capturing CO2 from the air is underway experimentally using Thermogravimetric Analyzers.