Abstract
A comparative study of NH +4 formation on aluminosilicate surface and in an aqueous solution of hydrochloric acid has been carried out in the framework of the nonempirical method with a STO-3G basis. It is suggested that the compensation mechanisms of energy consumptions to form protonated species in both cases are similar.
Abstract
В рамках неэмпирического метода в базисе СТО-3Г про-ведено сравнительное исследование реакций образования NH +4 на поверхности алюмосиликата и в водном ра-створе соляной кислоты. Делается вывод о сходстве механизмов компенсации энергетических эатрат на об-разование протонированной формы на поверхности и в кислой среде.
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Pelmenshchikov, A.G., Paukshtis, E.A., Zhanpeisov, N.U. et al. Comparative discussion of NH +4 formation mechanisms on oxide surfaces and in acidic media. React Kinet Catal Lett 33, 423–428 (1987). https://doi.org/10.1007/BF02128100
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DOI: https://doi.org/10.1007/BF02128100