Internal Degrees of Freedom as a Basis for Isotopic Effects in Thermodiffusion.
J Phys Chem B
; 125(41): 11512-11519, 2021 10 21.
Article
em En
| MEDLINE
| ID: mdl-34637620
ABSTRACT
We present a model that relates isotope effects in thermodiffusion to changes in internal degrees of freedom associated with rotational and vibrational motion. The model uses general material transport equations for binary non-isothermal liquid systems, derived using non-equilibrium thermodynamics in our previous work. The equilibrium chemical potentials of the components at constant pressure are derived using statistical mechanics. In evaluating the model, we use experimental data on changes in the Soret coefficient of various hydrocarbons in perprotonated and perdeuterated cyclohexane. We also compare predictions of the model with experimental data on the Soret coefficient in isotopic mixtures. In all cases, the model is consistent with experimental data and computations.
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Difusão Térmica
/
Hidrocarbonetos
Tipo de estudo:
Prognostic_studies
Idioma:
En
Revista:
J Phys Chem B
Assunto da revista:
QUIMICA
Ano de publicação:
2021
Tipo de documento:
Article
País de afiliação:
Federação Russa
País de publicação:
EEUU
/
ESTADOS UNIDOS
/
ESTADOS UNIDOS DA AMERICA
/
EUA
/
UNITED STATES
/
UNITED STATES OF AMERICA
/
US
/
USA