Application of NEAT for the Simulation of Liquid-liquid Extraction Processes with Poorly Specified Feeds

The conceptual design of fluid separation processes is particularly challenging if the considered mixtures are poorly specified, since classical thermodynamic models cannot be applied when the composition is unknown. We have recently developed a method (NEAT) to predict activity coefficients in such mixtures. It combines the thermodynamic group contribution concept with the ability of NMR spectroscopy to quantify chemical groups. In the present work, we describe how NEAT can be applied to equilibrium stage simulations of liquid–liquid extraction processes with poorly specified feeds. Only a single 13C NMR spectrum of the feed is needed for predicting the distribution of a target component for different process parameters, such as temperature or extracting agent. The predictions from several test cases are compared to results that are obtained using the full knowledge on the composition of the feed and surprisingly good agreement is found.

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Method for Estimating Activity Coefficients of Target Components in Poorly Specified Mixtures

10.31219/osf.io/6mpfd ◽

2021 ◽

Author(s):

Fabian Jirasek ◽

Jakob Burger ◽

Hans Hasse

Keyword(s):

Nmr Spectroscopy ◽

Activity Coefficient ◽

Activity Coefficients ◽

New Method ◽

Target Component ◽

Test Cases ◽

Group Contribution Method ◽

Bioprocess Engineering ◽

Separation Processes ◽

Chemical Groups

Mixtures that contain a known target component but are otherwise poorly specified 15 are important in many fields. Previously, the activity of the target component, which is needed e.g. to design separation processes, could not be predicted in such mixtures. A method was developed to solve this problem. It combines a thermodynamic group contribution method for the activity coefficient with NMR spectroscopy, which is used for estimating the nature and amount of the different chemical groups in the mixture. The knowledge of the component 20 speciation of the mixture is not required. Test cases that are inspired by bioprocess engineering applications show that the new method gives surprisingly good results.

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Application of the Dehydration Homogeneous Liquid–Liquid Extraction (DHLLE) Sample Preparation Method for Fingerprinting of Honey Volatiles

Molecules ◽

10.3390/molecules26082277 ◽

2021 ◽

Vol 26 (8) ◽

pp. 2277

Author(s):

Piotr M. Kuś ◽

Igor Jerković

Keyword(s):

Carboxylic Acid ◽

Sample Preparation ◽

Preparation Method ◽

Liquid Extraction ◽

Sample Preparation Method ◽

Phenyllactic Acid ◽

Homogeneous Liquid ◽

Liquid Liquid Extraction ◽

Wide Range ◽

Chemical Groups

Recently, we proposed a new sample preparation method involving reduced solvent and sample usage, based on dehydration homogeneous liquid–liquid extraction (DHLLE) for the screening of volatiles and semi-volatiles from honey. In the present research, the method was applied to a wide range of honeys (21 different representative unifloral samples) to determine its suitability for detecting characteristic honey compounds from different chemical classes. GC-FID/MS disclosed 130 compounds from different structural and chemical groups. The DHLLE method allowed the extraction and identification of a wide range of previously reported specific and nonspecific marker compounds belonging to different chemical groups (including monoterpenes, norisoprenoids, benzene derivatives, or nitrogen compounds). For example, DHLLE allowed the detection of cornflower honey chemical markers: 3-oxo-retro-α-ionols, 3,4-dihydro-3-oxoedulan, phenyllactic acid; coffee honey markers: theobromine and caffeine; linden honey markers: 4-isopropenylcyclohexa-1,3-diene-1-carboxylic acid and 4-(2-hydroxy-2-propanyl)cyclohexa-1,3-diene-1-carboxylic acid, as well as furan derivatives from buckwheat honey. The obtained results were comparable with the previously reported data on markers of various honey varieties. Considering the application of much lower volumes of very common reagents, DHLLE may provide economical and ecological advantages as an alternative sample preparation method for routine purposes.

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Experimental and numerical investigation of electrostatic spray liquid-liquid extraction with ionic liquids

Chemical and Process Engineering ◽

10.2478/v10176-012-0015-0 ◽

2012 ◽

Vol 33 (1) ◽

pp. 167-183 ◽

Cited By ~ 4

Author(s):

Marek Krawczyk ◽

Kamil Kamiński ◽

Jerzy Petera

Keyword(s):

Ionic Liquids ◽

Numerical Investigation ◽

High Viscosity ◽

Liquid Extraction ◽

Separation Processes ◽

Organic Mixture ◽

Liquid Liquid Extraction ◽

Key Factor ◽

A New Technique ◽

Electrostatic Spray

Experimental and numerical investigation of electrostatic spray liquid-liquid extraction with ionic liquids A new concept of an electrostatic spray column for liquid-liquid extraction was investigated. An important problem for separation processes is the presence of azeotropic or close-boiling mixtures in their production, for example heptane with ethanol, since the separation is impossible by ordinary distillation. The use of ionic liquids (IL) as a dispersed solvent specially engineered for any specific organic mixture in terms of selectivity is a key factor to successful separation. As IL present particularly attractive combination of favorable characteristics for the separation of heptane and ethanol, in this work we use 1-butyl-3-methylimidazolium methyl sulfate [BMIM][MeSO4]. Because of high viscosity and relatively high cost of IL a new technique was introduced, consisting in the electrostatically spray generation to enhance the mass transport between the phases. In order to optimally design the geometry of the contactor a series of numerical simulation was performed. Especially multi-nozzle variants for better exploitation of contactor volume were investigated. Experiments showed excellent possibility of control of the dispersion characteristics by applied voltage and thus control of the rate of extraction. The preliminary simulations based on our mathematical model for a three nozzle variant exhibited visual agreement with the theory of electrostatics.

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Separation and Purification of Lipases by Liquid-Liquid Extraction Processes

Engineering of/with Lipases ◽

10.1007/978-94-009-1671-5_35 ◽

1996 ◽

pp. 551-576 ◽

Cited By ~ 2

Author(s):

M. G. Carneiro-Da-Cunha ◽

E. P. Melo ◽

M. J. Sebastião ◽

M. R. Aires-Barros ◽

J. M. S. Cabral

Keyword(s):

Liquid Extraction ◽

Separation And Purification ◽

Liquid Liquid Extraction ◽

Extraction Processes

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