Abstract Submitted to the NANOTUBE-99 Workshop:

Single-walled carbon nanotubes (SWNTs) have the potential to separate mixtures of light isotopes. We present theoretical calculations and computer simulations that demonstrate that heavier isotopes can be selectively adsorbed into SWNTs from an isotopic mixture. The separation is based on differences in quantum effects (zero point motion), by a process called quantum molecular sieving. Results are presented for mixtures of hydrogen and tritium adsorbing inside SWNTs, and in the interstices of nanotube arrays. Both theory and simulation indicate that the interstices of nanotube arrays are highly effective for separating mixtures of hydrogen and tritium. Calculations from the theory are compared with finite temperature computer simulations that utilize the Feynman path integral formalism to accurately account for the quantum nature of the molecules. Agreement between the theory and simulations is excellent.

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