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Quantum‐theoretical calculation of activation parameters for mass transfer and mass transport processes on ionic crystals (V)
Author(s) -
Winzer A.
Publication year - 1980
Publication title -
kristall und technik
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0023-4753
DOI - 10.1002/crat.19800150409
Subject(s) - ionic bonding , mass transfer , phonon , debye , oscillation (cell signaling) , quantum , effective mass (spring–mass system) , chemistry , atomic physics , basis (linear algebra) , ionic crystal , physics , condensed matter physics , thermodynamics , ion , quantum mechanics , mathematics , biochemistry , geometry
A report is given on the calculation of activation parameters for mass transfer and mass transport processes for ionic crystals on a quantum‐theoretical basis. Einstein's model for calculating the internal energy of ionic crystals and the specific heat was extended and applied to the problems of mass transfer and transport, the frequency of the optical phonons and the characteristic oscillation frequencies of the crystals (Einstein frequency, Debye‐frequency) being employed for the calculation. The experimentally determined activation energies of the mass transfer and transport processes were compared with the values calculated on a quantum theoretical basis which resulted in good agreement.