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Binary Diffusion Coefficients for Short Chain Alcohols in Supercritical Carbon Dioxide-Experimental and Predictive
Cecília I A V Santos1, Ana C F Ribeiro1, Valentina Shevtsova2,3
1CQC-IMS, Department of Chemistry, University of Coimbra, 3004-535 Coimbra, Portugal.
Experimental binary diffusion coefficients for short-chain alcohols in supercritical carbon dioxide were measured. Results show diffusion coefficients depend on temperature, density, and molecular size, with models performing best at high densities.
Area of Science:
- Thermodynamics
- Chemical Engineering
- Physical Chemistry
Background:
- Supercritical fluids, particularly carbon dioxide, are crucial in various industrial processes.
- Understanding diffusion in these systems is vital for process optimization.
- Short-chain alcohols are common components in chemical reactions and separations.
Purpose of the Study:
- To experimentally determine binary diffusion coefficients.
- To investigate the impact of temperature, density, and molecular size on diffusion.
- To evaluate the accuracy of existing correlation models.
Main Methods:
- Taylor dispersion technique was employed for measurements.
- Experiments were conducted at temperatures from 306.15 K to 331.15 K.
- Measurements were performed along the 10.5 MPa isobar of supercritical carbon dioxide.
Main Results:
- Binary diffusion coefficients were found to be in the order of 10-8 m2 s-1.
- Diffusion coefficients showed clear dependence on temperature, solvent density, and solute molecular size.
- Classic correlation models generally overestimated experimental values.
Conclusions:
- Existing models are limited in accurately predicting diffusion coefficients in supercritical carbon dioxide.
- Model accuracy is restricted, particularly in lower-density regions.
- Further refinement of models is needed for reliable predictions in supercritical systems.
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