Catalysis as an effective tool of green chemistry: Novel electrodynamic and quantum chemical computational approaches to catalytic processes modelling

Глушков, А. В.; Khetselius, O. Yu.; Sofronkov, Alexander N.; Свинаренко, А. А.

doi:10.1016/b978-0-12-819879-7.00044-1

Cited by 1 publication

(3 citation statements)

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“…The intensive theoretical and experimental investigations are carried out in a field of studying and constructiong the optimal laser photoionization schemes of separation of different atomic elements (isotopes) in the vapour state in the gas separator devices (e.g. [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18][19]). The problem of developing, improving, and finding new optimal implementations of methods of nonlinear selective photoionization of atoms and molecules by laser radiation is one of the most urgent, complex, and far from definitive solutions.…”

Section: Introductionmentioning

confidence: 99%

“…Laser methods are characterized by much lower energy consumption than traditional methods, in addition, they have exceptional selectivity and provide the possibility of non-contact control and manipulation atoms using electromagnetic fields (e.g. [1][2][3][4][5]). This is what determines their extremely promising use in solving the problems of distribution of isotopes, isomers, processing of radioactive waste of nuclear energy and nuclear technologies.…”

Section: Introductionmentioning

confidence: 99%

“…Although the first successful experiments on the laboratory implementation of the laser method (classical two-stage schemes of selective photoionization of atoms, photodissociation of molecules) of isotope separation (V. Letokhov et al, B. Moore et al) were carried out relatively long ago (e.g. [1][2][3][4]10]), and, moreover, their basic feasibility and prospects for further industrial implementation were successfully demonstrated on a laboratory scale, but the sought selective photoionization schemes do not have sufficient efficiency and optimality. In this light, schemes of selective photoionization of atoms by a laser field with ionization by a pulsed electric field (including through Rydberg states), autoionization (through narrow autoionization resonances), ionization due to collisions (associative ionization, etc.)…”

Section: Introductionmentioning

confidence: 99%

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Optimized laser photoionization scheme of separation of complex isotopes in the separator devices

Glushkov,

Sofronkov,

Dubrovskaya

et al. 2023

ФАС

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An effective approach to determining parameters of optimal schemes of the method of laser selective photoionization of heavy isotopes, in particular, lanthanides (Gd atoms as the example) with ionization at the final stage by a pulsed electric field, autoionization through the narrow autoionization resonances and due to collisions is developed for separation of heavy isotopes in the separator devices. On the basis of the theory of optimal control and previously developed theoretical quantum approaches (the energy formalism and the relativistic many-body perturbation theory with the Dirac-Kohn-Sham-Sturm zeroth approximation for computing the parameters of elementary atomic processes such as excitation, ionization amplitudes, cross-sections, energies, widths of autoionization resonances etc.) an optimized scheme for the separation of Gd isotopes by the method of 3-stage laser photoionization with ionization at the final stage by a pulsed electric field, ionization through narrow autoionization resonances is presented. For the first time, there are theoretically calculated parameters of the narrow autoionization resonances for Gd in a sufficiently weak electric field, which are in physically reasonable agreement with data of the known experiment by Letokhov et al. Narrow-width autoionization resonances in Gd (in general in spectra of any lanthanide & actinide atom) have a relatively long lifetime, correspondingly, their excitation, ionization cross sections have the same order as the excitation one at the initial stage of separation scheme. Therefore, the use of these long-lived states can ensure the optimal implementation of a laser scheme for the separation of heavy isotopes. The obtained results for Gd with using models of optimal governing confirm the perspective of construction of the optimized schemes of the laser photoionization method with ionization at the final stage by a pulsed electric field, autoionization and allow determining the optimal parameters of the separation scheme, including diagram of atomic transitions, shape of laser pulses, etc. It is hoped that this work will also provide new opportunities for further development of laser chemistry of lanthanides, as well as actinides, taking into account new physics of autoionization resonances in their spectra.

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