Mathematical analysis and simulation of a discontinuous rectification column was performed using an operational strategy during the start-up before reaching pseudo-stable state in operation. The mathematical model formulated focusing on equilibrium (ES) implementing MESH equations (M: Mass balance, E: Equilibrium thermodynamics, S: Stoichiometry relations, H: Enthalpy or heat balance) to provid...

Introduction Conclusions References Tables Figures Back Close Abstract Introduction Conclusions References Tables Figures Back Close Full Screen / Esc Print Version Interactive Discussion EGU Abstract A prediction method based on group contribution principles is proposed for estimating the vapour pressure of α-pinene oxidation products. Temperature dependent contributions are provided for the f...

The accurate prediction of physicochemical properties chemical compounds in mixtures (such as the activity coefficient at infinite dilution $\gamma_{ij}^\infty$) is essential for developing novel and more sustainable processes. In this work, we analyze performance previously-proposed GNN-based models $\gamma_{ij}^\infty$, compare them with several mechanistic a series 9 isothermal studies. More...

The achievement of a homogeneous dispersion nanoparticles is paramount importance in supporting their technological application. In wet processing, stable dispersions were largely obtained via surfactant or surface functionalization: although effective, the use dispersant can alter, even impair, functional properties resulting nanostructured systems. Herein, we report novel integrated modeling ...