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Richards, Danielle

Publications and source records attributed to Richards, Danielle.

6 records
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DOE OSTI2024

Enzymes Under Confinement: Materials Interactions and Functionality for CO2 Capture and Conversion

CO2 capture membranes are of interest in industries where large amounts of CO2 waste is produced. Captured CO2 can be electrochemically reduced to CO and recycled for other uses. These capture membranes consist of an alumina substrate with a silicon layer. Enzymes have been used to lower reaction energies on nanoporous silica enabling better CO2 capture, however eliminating the silicon layer would improve manufacturability. We have proposed the use of nanoporous alumina alone, as an alternative.

Peretti, Amanda Sheree↗
DOE OSTI2024

Nanoconfinement of Carbon Dioxide within Interfacial Aqueous/Ionic Liquid Systems

Nanoporous, gas-selective membranes have shown encouraging results for the removal of CO 2 from flue gas, yet the optimal design for such membranes is often unknown. Therefore, we used molecular dynamics simulations to elucidate the behavior of CO 2 within aqueous and ionic liquid (IL) systems ([EMIM][TFSI] and [OMIM][TFSI]), both confined individually and as an interfacial aqueous/IL system. We found that within aqueous systems the mobility of CO 2 is reduced due to interactions between the CO 2 oxygens and hydroxyl groups on the pore surface. Within the IL systems, we found that confinement has a greater effect on the [EMIM][TFSI] system as opposed to the [OMIM][TFSI] system. Paradoxically, the larger and more asymmetrical [OMIM]+ molecule undergoes less efficient packing, resulting in fewer confinement effects. Finally, free energy surfaces of the nanoconfined aqueous/IL interface demonstrate that CO 2 will transfer spontaneously from the aqueous to the IL phase.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗