solid sorbent – TechConnect Briefs

Theoretical Study of Solid Materials for CO2 Capture Technology

Duan Y., National Energy Technology Laboratory, US

In this presentation, we will update our progress on Computational designing and screening of solid materials for CO2 capture. By combining thermodynamic database searching with ab initio thermodynamics calculations, we present a simulation scheme to [...]

Theoretical Synthesis of Mixed Materials for CO2 Capture Applications

Duan Y., DOE-National Energy Technology Laboratory, US

Since the current technologies for capturing CO2 are still too energy intensive, to develop new materials that can capture CO2 reversibly with acceptable energy costs are needed. By combining thermodynamic database mining with first principles [...]