Liquid-liquid equilibrium of 2-methyltetrahydrofuran/water over wide temperature range: Measurements and rigorous regression

Glass, Moll Helene; Aigner, Maximilian; Viell, Jörn; Jupke, Andreas; Mitsos, Alexander

doi:10.1016/j.fluid.2016.11.004

Cited by 29 publications

(43 citation statements)

References 18 publications

Supporting

Mentioning

Contrasting

Unclassified

Order By: Relevance

“…20 To account for the salting-out effect of SO 2− 4 anions introduced by the presence of H 2 SO 4 in the reactive system, we add Na 2 SO 4 to the ternary system 2-MTHF/water/5-HMF. In a detailed study on anion and cation effects on 5-HMF partitioning in the solvent system methyl isobutyl ketone (MIBK)/ water, Mohammad et al 37 13 find that mutual solubility also increases with temperature. We therefore assume this behavior of the solvent system 2-MTHF/water to be the reason for the temperature sensitivity of the 5-HMF partition coefficient.…”

Section: Partition Coefficients and Mass Transfermentioning

confidence: 99%

“…The disperse phase consists of 2-MTHF and water according to the equilibrium condition at reaction temperature. 13 From the bottom to the top of the reactor, 5-HMF concentration in the disperse phase is increasing due to the mass transfer from the aqueous phase. Close to the top of the reactor, 5-HMF concentration is slightly decreasing.…”

Section: Biphasic Countercurrent Reactormentioning

confidence: 99%

“…In our study we use 2-methyltetrahydrofuran (2-MTHF) as solvent because it has advantageous attributes such as acidic stability, low boiling point and low ecotoxicity. 12 Furthermore, the solvent system 2-MTHF/water features a stable miscibility gap in the temperature range of T = (293 to 423) K. 13 The mass transfer model is developed by conducting extraction experiments at the relevant reaction temperatures.…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Model‐based equipment design for the biphasic production of 5‐hydroxymethylfurfural in a tubular reactor

et al. 2019

Self Cite

View full text Add to dashboard Cite

Herein, a novel concept for the acid catalyzed dehydration of fructose (FRC) to 5-hydroxymethylfurfural (5-HMF) in a biphasic tubular reactor is presented. Reaction kinetic models were developed based on experiments performed in a newly developed lab-scale autoclave that enables a decoupled investigation of singlephase reaction and 5-HMF mass transfer. Our reaction kinetic models allow an accurate description of the biphasic reaction. Subsequently, we integrate the reaction kinetic models in the model-based design of a tailored reactor unit. This reactor unit employs the concept of in-situ extraction in a countercurrent flow of a monodisperse droplet swarm within a continuous aqueous phase. From reactor calculations, we obtain a maximum 5-HMF yield of 76% at full FRC conversion.Countercurrent in-situ extraction enables over 99% 5-HMF recovery in the organic phase.

show abstract

Section: Partition Coefficients and Mass Transfermentioning

confidence: 99%

Section: Biphasic Countercurrent Reactormentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Model‐based equipment design for the biphasic production of 5‐hydroxymethylfurfural in a tubular reactor

et al. 2019

Self Cite

View full text Add to dashboard Cite

show abstract

“…The dynamic model of the repetitive-batch OrganoCat process that was formulated in this study is based on the conceptual process design of Viell et al (2013) and the process variation proposed by Grande et al (2015). Thermodynamic parameters were equal to the ones used in steady-state simulation (Viell et al, 2013) except for the LLE between water and 2-MTHF that was described by the NRTL model using up-to-date parameter values from literature (Glass, Aigner, Viell, Jupke, & Mitsos, 2017). By applying ideal dynamic unit operations and some additional assumptions (instantaneous flash units, residence time reactors for enzymatic hydrolysis and oxalic acid crystallization) a start-up process was implemented ( Figure 2).…”

Section: Dynamic Model Of Organocat Processmentioning

confidence: 99%

Multiscale dynamic modeling and simulation of a biorefinery

Ploch

Zhao

Hüser

et al. 2019

Biotech & Bioengineering

Self Cite

View full text Add to dashboard Cite

A biorefinery comprises a variety of process steps to synthesize products from sustainable natural resources. Dynamic plant‐wide simulation enhances the process understanding, leads to improved cost efficiency and enables model‐based operation and control. It is thereby important for an increased competitiveness to conventional processes. To this end, we developed a Modelica library with replaceable building blocks that allow dynamic modeling of an entire biorefinery. For the microbial conversion step, we built on the dynamic flux balance analysis (DFBA) approach to formulate process models for the simulation of cellular metabolism under changing environmental conditions. The resulting system of differential‐algebraic equations with embedded optimization criteria (DAEO) is solved by a tailor‐made toolbox. In summary, our modeling framework comprises three major pillars: A Modelica library of dynamic unit operations, an easy‐to‐use interface to formulate DFBA process models and a DAEO toolbox that allows simulation with standard environments based on the Modelica modeling language. A biorefinery model for dynamic simulation of the OrganoCat pretreatment process and microbial conversion of the resulting feedstock by Corynebacterium glutamicum serves as case study to demonstrate its practical relevance.

show abstract

“…All of the above‐mentioned models require the determination of model parameters. Parameters for G E models are typically fitted to binary liquid‐liquid equilibrium data . Pure component parameters for equations of state can be obtained with a small amount of pure component vapor pressure and liquid density data points .…”

Section: Reaction and Phase Equilibriummentioning

confidence: 99%

Design of Extractive Reaction Systems

Rathgeb

Palmtag

Kamiński

et al. 2019

Chemie Ingenieur Technik

Self Cite

View full text Add to dashboard Cite

Product selectivity and yield in chemical reactions can be limited by side product formation or low conversions due to equilibrium limitations. Extractive reaction systems (ERS) employ an in situ liquid‐liquid extraction that separates the product from the reaction phase to overcome these difficulties. The design of ERS requires a broad knowledge of the discipline of process intensification and extraction and reaction engineering. Furthermore, specific knowledge about the interplay of reaction and extraction phenomena is unique to ERS. This review gives an overview of the design of ERS and enables their application to any suitable reaction.

show abstract

Liquid-liquid equilibrium of 2-methyltetrahydrofuran/water over wide temperature range: Measurements and rigorous regression

Cited by 29 publications

References 18 publications

Model‐based equipment design for the biphasic production of 5‐hydroxymethylfurfural in a tubular reactor

Model‐based equipment design for the biphasic production of 5‐hydroxymethylfurfural in a tubular reactor

Multiscale dynamic modeling and simulation of a biorefinery

Design of Extractive Reaction Systems

Contact Info

Product

Resources

About