Prediction of Ionic Liquids Performance for Hydrogen Sulfide Absorption from Natural Gas using COSMO-RS

Evaluation of COSMO-RS for the prediction of LLE and VLE of alcohols + ionic liquids

The huge number of possible combinations of binary mixtures of alcohols and ionic liquids (ILs) make the exhaustive measurement of all these ystems impracticable requiring the use of a predictive model for their study. In this work, the predictive capability of COSMO-RS, a model based n unimolecular quantum chemistry calculations, was evaluated for the description of the liquid–liquid equilibri...

Preparation of Graphene-amine Nanofluid for Absorption of Carbon Dioxide (CO2) and Hydrogen Sulfide (H2S) from a Natural Gas Stream in a Wetted Wall Column

    In this study, it was shown that how CO2 and H2S were removed from a natural gas stream, using a nanofluid containing nanoporous graphene in Diehanolamine (DEA). Before running the experiments, the appropriate values were chosen for the nanosheet dosage and the liquid and gas flow rates in the absorption experiments, which were performed in a laboratory scale wetted wall column. In the expe...

Nonequilibrium Dynamic Modeling of Hydrogen Sulfide Absorption Using Diglycolamine Solution

Predicting pKa for proteins using COSMO-RS

We have used the COSMO-RS implicit solvation method to calculate the equilibrium constants, pKa, for deprotonation of the acidic residues of the ovomucoid inhibitor protein, OMTKY3. The root mean square error for comparison with experimental data is only 0.5 pH units and the maximum error 0.8 pH units. The results show that the accuracy of pKa prediction using COSMO-RS is as good for large biom...

Hydrogen sulfide removal from biogas using chemical absorption technique in packed column reactors

The toxicity and corrosion potential of hydrogen sulfide in raw biogas underlines the need for biogas purification. Several techniques available for removal of hydrogen sulfide from biogas are out of the reach for common end users due to lack of knowledge, higher running costs, and insufficient operational skills. The present experimental study aims to propagate hydrogen sulfide removal techniq...