1973
DOI: 10.1021/j100629a013
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Theoretical free energy of activation for dehydration of hydrated ions in solution

Abstract: Dehydration of Hydrated Ions in Solution 1245 C112O is 23 kcal/mol while for CuO is 25 kcal/mol. This latter oxide is partly reduced to CU2O at least on the surface, due to the pretreatment adopted in catalysis (480°, 4 hr, 10-5 Torr). Consequently, its activity and its Ea are attributed to Cu+ .14 On the other hand, the Ea values obtained for the MCu specimens clearly resemble that found on CU2O. In these specimens the Cu+ content, formed during the outgassing treatment, can be evaluated by the esr methods on… Show more

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Cited by 8 publications
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“…69 The nonbonded interaction parameters for Na+-participating pairs have been calculated 60 ' 61 and are reported in Table II. Table I contains the atomic charge 62 and are listed in Table III. The electrostatic potential function used to describe ion-involved interactions is of prime concern.…”
Section: Methodsmentioning
confidence: 99%
“…69 The nonbonded interaction parameters for Na+-participating pairs have been calculated 60 ' 61 and are reported in Table II. Table I contains the atomic charge 62 and are listed in Table III. The electrostatic potential function used to describe ion-involved interactions is of prime concern.…”
Section: Methodsmentioning
confidence: 99%
“…25 One possibility is that the hydrated Hg 2+ adsorbed onto the zeolite surface and dehydration of the ions occurred there. 26 Once dehydrated, the Hg 2+ could diffuse into the zeolite channel and react with the silver nanoparticles.…”
mentioning
confidence: 99%