Non-random two-liquid modelling of switchable-hydrophilicity solvent systems: N,N -Dimethylcyclohexanamine, water, and toluene

Vanderveen, Jesse R.; Canales, Roberto I.; Quan, Yi; Chalifoux, Courtney B.; Stadtherr, Mark A.; Brennecke, Joan F.; Jessop, Philip G.

doi:10.1016/j.fluid.2015.09.032

Cited by 6 publications

(12 citation statements)

References 27 publications

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“…The liquid–liquid equilibria of systems containing diamine 3b, toluene, and carbonated water under CO 2 were also studied and compared to similar reported systems using DMCA. 29 In these systems, toluene acted as a representative hydrophobic liquid product that was to be isolated. To determine the extent to which the toluene is contaminated with SHS, the mass ratio of SHS/toluene in the organic phase was determined ( Table 2 ).…”

Section: Resultsmentioning

confidence: 99%

“… 28 A study of the liquid–liquid phase equilibria of one SHS-based system demonstrates that the extent of this contamination varies depending on the mass ratios of water, SHS, and product. 29 Incomplete removal of SHS from the product leads to a loss of solvent and contamination of the product.…”

Section: Introductionmentioning

confidence: 99%

“…The lines represent the log D curve estimated from the data (see ESI for details †). The data and estimated curve for DMCA (green) were taken from a previous study 29.…”

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confidence: 99%

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Diamines as switchable-hydrophilicity solvents with improved phase behaviour

et al. 2018

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Diamines as switchable-hydrophilicity solvents with improved phase behaviour

et al. 2018

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“…The formation of bicarbonate in the presence of tertiary amines, governed by the electron-donating strength of the nitrogen center in the nitrogenous base, enables reversible hydrophilicity switching upon addition/removal of CO 2 . 6 Despite substantial advancements in the performance and applications of SHSs, 16,17 two major issues hinder their development: (i) mass transfer-limited LLE, resulting in extraction times in the order of 1−10 h/experiment 6,18 and (ii) the massive chemical/process parameter space associated with SHSs, 6 with a limited available chemical database. Currently, both fundamental and applied studies of SHSs are conducted using batch reactors.…”

Section: Nr H O Co Nr H Hcomentioning

confidence: 99%

Accelerated Material-Efficient Investigation of Switchable Hydrophilicity Solvents for Energy-Efficient Solvent Recovery

Han

Raghuvanshi

Abolhasani

2020

ACS Sustainable Chem. Eng.

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In most chemical industries, solvent removal and recovery processes are heavily dependent on hazardous volatile solvents with energy-intensive distillation processes because of their ease of separation. An emerging promising alternative is implementing switchable solvents with on-demand and reversible switching of their physiochemical properties triggered by carbon dioxide (CO 2 ). Utilization and widespread implementation of switchable solvents can dramatically reduce environmental risks and energy requirements for solvent removal and recovery processes. Despite intriguing characteristics of switchable solvents, the time-and material-intensive nature of conventional batch strategies has hindered a comprehensive understanding of this exciting class of green solvents. Herein, we report an accelerated time-and material-efficient (green) flow chemistry strategy for in situ fundamental and applied studies of CO 2 -mediated switchable solvents. Utilizing a highly gas-permeable membrane microreactor increases the gas−liquid interfacial area for CO 2 injection, thereby enhancing the gas−liquid mass transfer (∼60 times faster equilibrium time than a batch reactor), while minimizing the chemical consumption (∼1000 times less than a batch reactor) and waste generation (∼1500 times less than a batch reactor) for each solventswitching experiment. Utilizing the developed green flow chemistry strategy, we comprehensively study the effects of continuous and discrete process parameters on the efficiency and kinetics of hydrophilicity switching of switchable solvents. The intensified CO 2triggered switchable hydrophilicity solvent extraction process allows accurate material-efficient studies of switchable solvents and therefore will accelerate the development and adoption of distillation-free, green, and sustainable solvent recovery strategies in chemical industries.

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“…In the present paper, we applied different thermodynamic models implemented in Aspen to simulate the partition of the Trimetozine and its corresponding impurities between the organic and the aqueous phase. We optimised the parameters of three different models: the Non-Random-Two Liquid model, 20 the UNIversal QUAsiChemical (UNIQUAC) 21 and the UNIQUAC Functional-group Activity Coefficients (UNIFAC) 22 models. These three models were exploited to drive a global optimisation in order to find the optimum process conditions to achieve the highest yield of Trimetozine extraction at the desired purity level using a simulated three-stages countercurrent liquid-liquid extraction.…”

Section: Introductionmentioning

confidence: 99%

Steady-State Simulation of the Counter Current Liquid-Liquid Ex-Traction: Trimetozine Synthesis as a Case Study

Hosni

Houson²,

Benyahia³

et al. 2019

Preprint

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The countercurrent liquid-liquid extraction is a crucial step in industrial process to purify and extract a compound of inter-ests for its impurities. This step requires generally challenging and time-consuming optimisation of numerous factors that affect the overall yield of extraction and the energy needed. The simulation of this process has been investigated in this pa-per using a Non-Random Two Liquid model implemented as a thermodynamic method in Aspen. The outcome of this model enables the evaluation of the partition coefficients of the different analytes of a mixtures at the different compart-ments of extraction platform. In addition, this steady-state model allows a more straightforward optimisation of the factors that drive the performance of extraction.

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Non-random two-liquid modelling of switchable-hydrophilicity solvent systems: N,N -Dimethylcyclohexanamine, water, and toluene

Cited by 6 publications

References 27 publications

Diamines as switchable-hydrophilicity solvents with improved phase behaviour

Diamines as switchable-hydrophilicity solvents with improved phase behaviour

Accelerated Material-Efficient Investigation of Switchable Hydrophilicity Solvents for Energy-Efficient Solvent Recovery

Steady-State Simulation of the Counter Current Liquid-Liquid Ex-Traction: Trimetozine Synthesis as a Case Study

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