Application of Fourier Transform Infrared (FTIR) Spectroscopy in Sample Preparation: Material Characterization and Mechanism Investigation

For separating the special phenolic compound 2,6-xylenol from the model coal tar, the liquid–liquid equilibrium data regarding the four mixtures (toluene + 2,6-xylenol + glycerol/ethylene glycol/1,...

Measurement and Thermodynamic Modeling of Ternary Liquid–Liquid Equilibrium for Extraction of 2,6-Xylenol from Aromatic Hydrocarbon Mixtures with Different Solvents

The adequate correlation of experimental phase equilibrium data by using any thermodynamic model represents a key point for the rigorous design of the chemical processes. However, this data correlation process remains a challenging problem, due to the high nonlinearity of the models used and the consequent problems of convergence. The present work analyzes the nonrandom two-liquids mode (NRTL) model to check the relation between the values of the binary interaction parameters and the corresponding phase equilibria that the NRTL model can or cannot reproduce. Additionally, in the case of the LLE, empirical equations have been established as a function of the nonrandomness parameter, to model the trajectory of the different miscibility boundaries observed. These functions can be used as constraints in the experimental data correlation procedure to reduce the search space and guarantee the consistency of the obtained binary interaction parameters with the experimental behavior of the system under study. 

https://onlinelibrary.wiley.com/doi/pdfdirect/10.1002/aic.17805

What does the
 NRTL
 model look like? Determination of boundaries for different fluid phase equilibrium regions

Influence of solvent structure on the extraction of aromatics from FCC diesel and computational thermodynamics study

Ionic liquids (ILs) are promising alternative compounds that enable the development of technologies based on their unique properties as solvents or catalysts. These technologies require integrated product and process designs to select ILs with optimal process performances at an industrial scale to promote cost-effective and sustainable technologies. The digital era and multiscale research methodologies have changed the paradigm from experiment-oriented to hybrid experimental-computational developments guided by process engineering. This Review summarizes the relevant contributions (>300 research papers) of process simulations to advance IL-based technology developments by guiding experimental research efforts and enhancing industrial transferability. Robust simulation methodologies, mostly based on predictive COSMO-SAC/RS and UNIFAC models in Aspen Plus software, were applied to analyze key IL applications: physical and chemical CO2 capture, CO2 conversion, gas separation, liquid-liquid extraction, extractive distillation, refrigeration cycles, and biorefinery. The contributions concern the IL selection criteria, operational unit design, equipment sizing, technoeconomic and environmental analyses, and process optimization to promote the competitiveness of the proposed IL-based technologies. Process simulation revealed that multiscale research strategies enable advancement in the technological development of IL applications by focusing research efforts to overcome the limitations and exploit the excellent properties of ILs.

Process Simulation and Optimization on Ionic Liquids.

Liquid-liquid equilibrium measurements and interaction explorations for separation of azeotrope n-butyl acetate and n-butanol using three ionic liquids

m-Cresol is an important chemical material, which is mainly derived from low-temperature coal tar. In this work, for separating m-cresol from coal tar model oil, two propylamine-based ionic liquids...

Separation of m-Cresol from Coal Tar Model Oil Using Propylamine-Based Ionic Liquids: Extraction and Interaction Mechanism Exploration

Process design, evaluation and control for separation of 2,2,3,3-tetrafluoro-1-propanol and water by extractive distillation using ionic liquid 1-ethyl-3-methylimidazolium acetate

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Papers

Liquid-liquid equilibrium measurements and interaction explorations for separation of azeotrope n-butyl acetate and n-butanol using three ionic liquids

Separation of m-Cresol from Coal Tar Model Oil Using Propylamine-Based Ionic Liquids: Extraction and Interaction Mechanism Exploration

Process design, evaluation and control for separation of 2,2,3,3-tetrafluoro-1-propanol and water by extractive distillation using ionic liquid 1-ethyl-3-methylimidazolium acetate