In a recent publication Yunhan Chu et al. have presented an automated computational framework for the prediction of cellulose solubilities in ionic liquids based on COSMO-RS. The logarithmic activity coefficients and excess enthalpies were calculated for four different cellulose models and four sets of ILs. The results were used for a screening of ILs for the purpose of dissolving cellulose. The whole approach is useful for large-scale screening of ionic liquids for dissolving cellulose as well as the evaluation of thermodynamic properties of cellulose-IL or other systems.
You have already subscribed to our newsletter. Thank you! If you don't receive our newsletters, email us.
Yunhan Chu, Xiangping Zhang, Magne Hillestad, Xuezhong He, Computational prediction of cellulose solubilities in ionic liquids based on COSMO-RS, Fluid Phase Equilibria 2018.Key conceptsCOSMO-RS oil & gas pharma