Post by Industrial Catalysis and Adsorption Technology (INCAT)

📢 Dual publication alert 📢 We are pleased to announce that two papers by our researcher Ilah J. were recently published: “Importance of Conformer Diversity over Quantity in COSMO-RS-Based LLE Predictions: A Case Study” in ACS Division of Industrial & Engineering Chemistry (I&EC) Research 🔍 In this study, we found that for the cases we looked at, with COSMO-RS, better LLE predictions can be obtained when using the lowest energy conformer of every polarity cluster of conformers instead of using the full conformer set. “Accuracy and limitations of PC-SAFT and NRTL in modelling VLE and LLE of furfural-derived mixtures” in Fluid Phase Equilibria 🔍 Here, we compared PC-SAFT and NRTL simulations for both VLEs and LLEs for furfural derivatives. We found that PC-SAFT accurately describes VLEs for non-associating systems, where NRTL-HOC provided a good description for all systems. 🙏 Thanks to all co-authors: Ilah J., Maarten Sabbe, Jeriffa De Clercq and Jeroen Lauwaert Special thanks for the collaborations to the co-authors from the Institute for Thermal Separation Processes: Simon Müller and Irina Smirnova, and from Università Campus Bio-Medico di Roma: Elisabetta d'Harmant François, Leone Mazzeo, and Vincenzo Peimonte 📄 Full papers available here: https://lnkd.in/eKvJXAk2 https://lnkd.in/e_nWyHBv