An Experimental Investigation for Hydrogen and Deuterium Separation by Thermal Cycling Absorption Process

The present work is to construct the potential energy function of isotopic molecules. The so-called molecular potential energy function is the electronic energy function under Born-Oppenheimer approximation, in which the nuclear motions (translational, rotational and vibration motions) are not included, therefore, its nuclear vibration motion and isotopic effect need to be considered. Based on group theory and atomic and molecular reactive statics (AMRS), the reasonable dissociation limits of D 2 O (X A ) 1 1 are determined, its equilibrium geometry and dissociation energy are calculated by density-functional theory (DFT) B3lyp, and then, using the many-body expansion method the potential en- ergy function of D 2 O (X A )1 1 is obtained for the first time. The potential contours are drawn, in which it is found that the reactive channel D + OD→D 2 O has no threshold energy, so it is a free radical reaction. But the reactive channel O + DD→D 2 O has a saddle point. The study of collision for D 2 O (X A )1 1 is under way. D 2 O 1 1 (X A ), isotopic effect, many-body expansion theory, analytical potential energy function

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Analytical potential energy function for the ground state % MathType!MTEF!2!1!+- % feaagaart1ev2aaatCvAUfKttLearuqr1ngBPrgarmWu51MyVXguY9 % gCGievaerbd9wDYLwzYbWexLMBbXgBcf2CPn2qVrwzqf2zLnharyav % P1wzZbItLDhis9wBH5garqqtubsr4rNCHbGeaGqiVu0Je9sqqrpepC % 0xbbL8F4rqqrFfpeea0xe9Lq-Jc9vqaqpepm0xbba9pwe9Q8fs0-yq % aqpepae9pg0FirpepeKkFr0xfr-xfr-xb9adbaqaaeGaciGaaiaabe % qaamaaeaqbaaGcbaGaeiikaGsegeKCPfgBaGGbaiqa-Hfagaacamaa % CaaaleqabaGaa8xmaaaakiaa-feadaWgaaWcbaGaa8xmaaqabaGccq % GGPaqkaaa!4312! $$ (\tilde X^

Ruan

Luo

Zhang

et al. 2009

Sci. China Ser. G-Phys. Mech. Astron.

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Hydrogen isotopes separation using frontal displacement chromatography with Pd–Al2O3 packed column

Deng

Luo

Cheng

et al. 2012

International Journal of Hydrogen Energy

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The oil bath thermal cycling absorption process design and separation process research

Deng

Chen

Huang

et al. 2023

International Journal of Hydrogen Energy

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An Experimental Investigation for Hydrogen and Deuterium Separation by Thermal Cycling Absorption Process

Cited by 8 publications

References 1 publication

Hydrogen isotopes separation using frontal displacement chromatography with Pd–Al2O3 packed column

The oil bath thermal cycling absorption process design and separation process research

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