Solubility of carbon monoxide and hydrogen in propylene carbonate and thermomorphic multicomponent hydroformylation solvent

Mixtures that contain a known target component but are otherwise poorly specified are important in many fields. Previously, the activity of the target component, which is needed, e.g., to design separation processes, could not be predicted in such mixtures. A method was developed to solve this problem. It combines a thermodynamic group contribution method for the activity coefficient with NMR spectroscopy, which is used for estimating the nature and amount of the different chemical groups in the mixture. The knowledge of the component speciation of the mixture is not required. Test cases that are inspired by bioprocess engineering applications show that the new method gives surprisingly good results.

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Method for Estimating Activity Coefficients of Target Components in Poorly Specified Mixtures

On a estime la solubilite de l'hydrogene dans differentes tractions de petrole brut au moyen d'une methode UNIFAC modifiee de contribution de groupe. Les concentrations de groupe fonctionnelles ont ete estimees a partir de structures de modele de groupe suggerees. Une technique d'optimisation a ete appliquee sur les proprietes critiques pour tester la structure du modele de groupe. La validite de cette methode a ete verifiee en comparant les solubilites predites et experimentales de l'hydrogene. Les solubilites de l'hydrogene experimentales furent mesurees par des techniques de reponse a des pulses

Prediction of solubility of hydrogen in petroleum cuts using modified UNIFAC

Mixtures of which the composition is not fully known are important in many fields of engineering and science, for example, in biotechnology. Owing to the lack of information on the composition, suc...

/pdf/neat-nmr-spectroscopy-for-the-estimation-of-activity-5g70vg61jw.pdf

Hartoun Hartounian

Papers

Group contribution methods for coal-derived liquids: hydrogen solubilities using a UNIFAC approach

Group contribution methods for coal liquids: vapour pressures