Development of a Tritium Recovery System from Candu Tritium Removal Facility

Draghia, Mirela; Pasca, Gheorghe; Porcariu, Florina

doi:10.13182/fst14-t22

Cited by 2 publications

(1 citation statement)

References 5 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Traditionally, hydrogen isotope separation has been achieved through electrolysis of heavy water extracted through the Girdler-sulfide process or by cryogenic distillation at 24 K . These processes are energy intensive and are currently driven primarily via precious metal (Pd and Pt)-based adsorption systems. − …”

Section: Introductionmentioning

confidence: 99%

Design Elements for Enhanced Hydrogen Isotope Separations in Barely Porous Organic Cages

2022

View full text Add to dashboard Cite

Barely porous organic cages (POCs) successfully separate hydrogen isotopes (H2/D2) at temperatures below 100 K. Identifying the mechanisms that control the separation process is key to the design of next-generation hydrogen separation materials. Here, ab initio molecular dynamics (AIMD) simulations are used to elucidate the mechanisms that control D2 and H2 separation in barely POCs with varying functionalization. The temperature and pore size dependence were identified, including the selective capture of D2 in three different CC3 structures (RCC3, CC3-S, and 6ET-RCC3). The temperature versus capture trend was reversed for the 6ET-RCC3 structure, identifying that the D2 and H2 escape mechanisms are unique in highly functionalized systems. Analysis of calculated isotope velocities identified effective pore sizes that extend beyond the pore opening distances, resulting in increased capture in minimally functionalized CC3-S and RCC3. In a highly functionalized POC, 6ET-RCC3, higher velocities of the H isotopes were calculated moving through the restricted pore compared to the rest of the system, identifying a unique molecular behavior in the barely nanoporous pore openings. By using AIMD, mechanisms of H2 and D2 separation were identified, allowing for the targeted design of future novel materials for hydrogen isotope separation.

show abstract