yaeos__models_ge_group_contribution_unifac_parameters Module

UNIFAC parameters

UNIFAC parameters module

Description

Instances of the yaeos GeGCModelParameters with the classic liquid-vapor UNIFAC parameters.

Examples

 use yaeos__models_ge_group_contribution_unifac_parameters, only: UNIFACParameters
 use yaeos__models_ge_group_contribution_model_parameters, only: GeGCModelParameters

 type(GeGCModelParameters) :: parameters

 parameters = UNIFACParameters()

 ! Get the maingroups i:1, j:7 interaction parameter aij (CH2-H2O)
 print *, parameters%get_maingroups_aij(1, 7) ! prints: 1318.0000

References

  1. Dortmund Data Bank Software & Separation Technology
  2. Fredenslund, A., Jones, R. L., & Prausnitz, J. M. (1975). Group‐contribution estimation of activity coefficients in nonideal liquid mixtures. AIChE Journal, 21(6), 1086–1099. https://doi.org/10.1002/aic.690210607
  3. Skjold-Jorgensen, S., Kolbe, B., Gmehling, J., & Rasmussen, P. (1979). Vapor-Liquid Equilibria by UNIFAC Group Contribution. Revision and Extension. Industrial & Engineering Chemistry Process Design and Development, 18(4), 714–722. https://doi.org/10.1021/i260072a024
  4. Gmehling, J., Rasmussen, P., & Fredenslund, A. (1982). Vapor-liquid equilibriums by UNIFAC group contribution. Revision and extension. 2. Industrial & Engineering Chemistry Process Design and Development, 21(1), 118–127. https://doi.org/10.1021/i200016a021
  5. Macedo, E. A., Weidlich, U., Gmehling, J., & Rasmussen, P. (1983). Vapor-liquid equilibriums by UNIFAC group contribution. Revision and extension. 3. Industrial & Engineering Chemistry Process Design and Development, 22(4), 676–678. https://doi.org/10.1021/i200023a023
  6. Tiegs, D., Rasmussen, P., Gmehling, J., & Fredenslund, A. (1987). Vapor-liquid equilibria by UNIFAC group contribution. 4. Revision and extension. Industrial & Engineering Chemistry Research, 26(1), 159–161. https://doi.org/10.1021/ie00061a030
  7. Hansen, H. K., Rasmussen, P., Fredenslund, A., Schiller, M., & Gmehling, J. (1991). Vapor-liquid equilibria by UNIFAC group contribution. 5. Revision and extension. Industrial & Engineering Chemistry Research, 30 (10), 2352–2355. https://doi.org/10.1021/ie00058a017
  8. Wittig, R., Lohmann, J., & Gmehling, J. (2003). Vapor−Liquid Equilibria by UNIFAC Group Contribution. 6. Revision and Extension. Industrial & Engineering Chemistry Research, 42(1), 183–188. https://doi.org/10.1021/ie020506l

Uses

  • module~~yaeos__models_ge_group_contribution_unifac_parameters~~UsesGraph module~yaeos__models_ge_group_contribution_unifac_parameters yaeos__models_ge_group_contribution_unifac_parameters module~yaeos__constants yaeos__constants module~yaeos__models_ge_group_contribution_unifac_parameters->module~yaeos__constants module~yaeos__models_ge_group_contribution_model_parameters yaeos__models_ge_group_contribution_model_parameters module~yaeos__models_ge_group_contribution_unifac_parameters->module~yaeos__models_ge_group_contribution_model_parameters iso_fortran_env iso_fortran_env module~yaeos__constants->iso_fortran_env module~yaeos__models_ge_group_contribution_model_parameters->module~yaeos__constants

Used by

  • module~~yaeos__models_ge_group_contribution_unifac_parameters~~UsedByGraph module~yaeos__models_ge_group_contribution_unifac_parameters yaeos__models_ge_group_contribution_unifac_parameters module~yaeos__models_ge_group_contribution_unifac yaeos__models_ge_group_contribution_unifac module~yaeos__models_ge_group_contribution_unifac->module~yaeos__models_ge_group_contribution_unifac_parameters proc~setup_dortmund setup_dortmund proc~setup_dortmund->module~yaeos__models_ge_group_contribution_unifac_parameters proc~setup_psrk setup_psrk proc~setup_psrk->module~yaeos__models_ge_group_contribution_unifac_parameters module~yaeos__models_ge_group_contribution_dortmund yaeos__models_ge_group_contribution_dortmund module~yaeos__models_ge_group_contribution_dortmund->module~yaeos__models_ge_group_contribution_unifac module~yaeos__models_ge_group_contribution_psrk yaeos__models_ge_group_contribution_psrk module~yaeos__models_ge_group_contribution_psrk->module~yaeos__models_ge_group_contribution_unifac module~yaeos__models_ge_implementations yaeos__models_ge_implementations module~yaeos__models_ge_implementations->module~yaeos__models_ge_group_contribution_unifac module~yaeos__models_ge_implementations->module~yaeos__models_ge_group_contribution_dortmund module~yaeos__models_ge_implementations->module~yaeos__models_ge_group_contribution_psrk module~yaeos__models yaeos__models module~yaeos__models->module~yaeos__models_ge_implementations proc~psrk PSRK proc~psrk->module~yaeos__models_ge_implementations module~yaeos yaeos module~yaeos->module~yaeos__models

Functions

public function UNIFACParameters()

UNIFAC parameters

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Arguments

None

Return Value type(GeGCModelParameters)