Carin Dietz - Academia.edu (original) (raw)

Papers by Carin Dietz

\u3cp\u3eThe PC-SAFT 'pseudo-pure' approach was used for the modeling of CO\u3csub\u3e2\u... more \u3cp\u3eThe PC-SAFT 'pseudo-pure' approach was used for the modeling of CO\u3csub\u3e2\u3c/sub\u3e solubilities in various hydrophobic deep eutectic solvents (DESs) for the first time. Only liquid density data were used to obtain the segment number, the temperature-independent segment diameter and the dispersion-energy parameter, as water activities cannot be obtained for hydrophobic substances. VLE data were successfully predicted without the need for any adjustable binary interaction k \u3csub\u3eij\u3c/sub\u3e. Thus, solubilities of CO\u3csub\u3e2\u3c/sub\u3e in hydrophobic DESs could be approximated with the PC-SAFT model using parameters fitted to liquid densities only.\u3c/p\u3

The Journal of Physical Chemistry B, 2020

Since their discovery, deep eutectic solvents (DES) have been explored in multiple applications. ... more Since their discovery, deep eutectic solvents (DES) have been explored in multiple applications. However, the complete physicochemical characterization is still nonexistent for many of the proposed and used DES. In particular, vapor pressure, which is a crucial property for the application of DES as solvents, is very rarely available. In this work, the measurement of the total and partial pressures of two sulfolane-based DES, tetrabutylammonium bromide:sulfolane and tetrabutylphosphonium bromide:sulfolane, in several proportions, from 40 to 100°C and atmospheric pressure, was performed using headspace gas chromatography mass spectrometry, HS-GC-MS. A large decrease on the total pressure was recorded which, together with the finding that total pressures showed negative deviations from Raoult's law, is indicative of the favorable, strong interactions between the two components within the DES. Additionally, the study of vapor pressure change with DES molar composition was carried out, and surprisingly, the existence of inflection points in the pressure curve was observed. Experimental results were modeled using the PC-SAFT equation of state, and in addition, MD simulations were performed to provide a molecular understanding of the pressure data. Considering the different results and insights obtained from the used strategies, it can be concluded that both DES systems have especially strong interactions between salt and sulfolane, at high sulfolane content, due to the different structural rearrangement of the liquid state.

ACS Sustainable Chemistry & Engineering, 2020

Hydrophobic deep eutectic solvents (DESs) are a new generation of water immiscible solvents that ... more Hydrophobic deep eutectic solvents (DESs) are a new generation of water immiscible solvents that have been presented in the literature for the first time in 2015. These solvents have been used for many applications. Here, an overview is given regarding hydrophobic DESs with their physicochemical properties, applications and the challenges and limitations that the field currently is experiencing. First, a general introduction and an introduction to hydrophobic DESs is presented to explain more about DESs, their origin and hydrophobic ones. Here also an overview of all the hydrophobic DESs presented in the literature is given. After the introduction physicochemical properties such as density, viscosity, melting point, degradation temperature, volatilities and solvatochromic properties is discussed. It is continued with the discussion of 21 different applications of hydrophobic DESs. In general, applications related to liquid-liquid extractions, liquid-liquid microextractions, the formation of two and three phase systems, the removal of components from leaves, gas-liquid extractions, the formation of hydrogels, membrane formation, centrifugal partition chromatography, the formation of a ferrofluid, coating, photo luminescence and dye sensitized solar cells and catalysis has been investigated. Finally, challenges and limitation of hydrophobic DESs are discussed.

Industrial & Engineering Chemistry Research, 2019

Furfural is a platform chemical that can be obtained from renewable resources. It can be produced... more Furfural is a platform chemical that can be obtained from renewable resources. It can be produced by acid-catalyzed dehydration of xylose. Currently, the furfural yield is relatively low due to side reactions (degradation of furfural). The furfural yield can be improved by rapid and continuous removal of the furfural from the reaction mixture (in situ extraction), preventing further furfural degradation. In this work, the (in situ) extraction of furfural from the reaction mixture using different organic solvents and hydrophobic deep eutectic solvents is investigated. First, the distribution coefficients of furfural in various organic solvents were determined. It was found that extracting agents containing phenol groups showed the highest distribution ratios. Thereafter, the acid-catalyzed degradation of furfural in the presence of the different solvents was assessed. Addition of organic solvents or hydrophobic deep eutectic solvents resulted in a significant decrease in furfural degradation compared to the blank and the benchmark. Finally, in situ extraction with the different extracting agents was performed. The xylose conversion was not influenced by solvent addition, whereas the furfural yields were significantly higher compared to the blank experiment, even when low amounts of extracting agents were applied. This was explained by the limited co-extraction of the acid to the organic phase, preventing further contact/reaction between the furfural and the acid. Hence, organic solvents and hydrophobic deep eutectic solvents can be promising in situ extracting agents for the removal of furfural from biorefinery processes.

Industrial & Engineering Chemistry Research, 2019

DOI to the publisher's website. • The final author version and the galley proof are versions of t... more DOI to the publisher's website. • The final author version and the galley proof are versions of the publication after peer review. • The final published version features the final layout of the paper including the volume, issue and page numbers. Link to publication General rights Copyright and moral rights for the publications made accessible in the public portal are retained by the authors and/or other copyright owners and it is a condition of accessing publications that users recognise and abide by the legal requirements associated with these rights. • Users may download and print one copy of any publication from the public portal for the purpose of private study or research. • You may not further distribute the material or use it for any profit-making activity or commercial gain • You may freely distribute the URL identifying the publication in the public portal. If the publication is distributed under the terms of Article 25fa of the Dutch Copyright Act, indicated by the "Taverne" license above, please follow below link for the End User Agreement:

Fluid Phase Equilibria, 2019

DOI to the publisher's website. • The final author version and the galley proof are versions of t... more DOI to the publisher's website. • The final author version and the galley proof are versions of the publication after peer review. • The final published version features the final layout of the paper including the volume, issue and page numbers. Link to publication General rights Copyright and moral rights for the publications made accessible in the public portal are retained by the authors and/or other copyright owners and it is a condition of accessing publications that users recognise and abide by the legal requirements associated with these rights. • Users may download and print one copy of any publication from the public portal for the purpose of private study or research. • You may not further distribute the material or use it for any profit-making activity or commercial gain • You may freely distribute the URL identifying the publication in the public portal. If the publication is distributed under the terms of Article 25fa of the Dutch Copyright Act, indicated by the "Taverne" license above, please follow below link for the End User Agreement:

Journal of Chemical & Engineering Data, 2017

DOI to the publisher's website. • The final author version and the galley proof are versions of t... more DOI to the publisher's website. • The final author version and the galley proof are versions of the publication after peer review. • The final published version features the final layout of the paper including the volume, issue and page numbers. Link to publication General rights Copyright and moral rights for the publications made accessible in the public portal are retained by the authors and/or other copyright owners and it is a condition of accessing publications that users recognise and abide by the legal requirements associated with these rights. • Users may download and print one copy of any publication from the public portal for the purpose of private study or research. • You may not further distribute the material or use it for any profit-making activity or commercial gain • You may freely distribute the URL identifying the publication in the public portal. If the publication is distributed under the terms of Article 25fa of the Dutch Copyright Act, indicated by the "Taverne" license above, please follow below link for the End User Agreement:

Chemical Communications, 2016

Hydrophobic deep eutectic solvents composed of decanoic acid and lidocaine were used for the remo... more Hydrophobic deep eutectic solvents composed of decanoic acid and lidocaine were used for the removal of metal ions from an aquatic environment.

ACS Sustainable Chemistry & Engineering, 2019

DOI to the publisher's website. • The final author version and the galley proof are versions of t... more DOI to the publisher's website. • The final author version and the galley proof are versions of the publication after peer review. • The final published version features the final layout of the paper including the volume, issue and page numbers. Link to publication General rights Copyright and moral rights for the publications made accessible in the public portal are retained by the authors and/or other copyright owners and it is a condition of accessing publications that users recognise and abide by the legal requirements associated with these rights. • Users may download and print one copy of any publication from the public portal for the purpose of private study or research. • You may not further distribute the material or use it for any profit-making activity or commercial gain • You may freely distribute the URL identifying the publication in the public portal. If the publication is distributed under the terms of Article 25fa of the Dutch Copyright Act, indicated by the "Taverne" license above, please follow below link for the End User Agreement:

ACS Sustainable Chemistry & Engineering, 2019

Head-space gas chromatography mass spectrometry (HS-GC-MS) was used for the first time to measure... more Head-space gas chromatography mass spectrometry (HS-GC-MS) was used for the first time to measure the total vapor pressure of hydrophobic deep eutectic solvents (DESs). The new method was developed as a valid alternative for thermogravimetric analysis (TGA), as TGA did not allow obtaining reliable total vapor pressure data for the hydrophobic DESs studied in this work. The main advantage of HS-GC-MS is that the partial pressure of each DES constituent and the contribution of each DES constituent to the total vapor pressure of the mixture can be measured. The results give a clear indication of the interactions occurring between the DES constituents. Also, activity coefficients, enthalpies of evaporation and activation energies for fluid displacement were obtained and correlated to the measured vapor pressure data. It was confirmed that the total vapor pressures of the hydrophobic DESs are very low in comparison to vapor pressures of commonly used volatile organic solvents like toluene. The total vapor pressures of the hydrophobic DESs were successfully predicted with Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) when using PC-SAFT parameters for the individual DES constituents.

Faraday Discussions, 2017

For the first time, 12 different supported deep eutectic solvent (DES) liquid membranes were prep... more For the first time, 12 different supported deep eutectic solvent (DES) liquid membranes were prepared and characterized.

Fluid Phase Equilibria

Abstract The PC-SAFT ‘pseudo-pure’ approach was used for the modeling of CO2 solubilities in vari... more Abstract The PC-SAFT ‘pseudo-pure’ approach was used for the modeling of CO2 solubilities in various hydrophobic deep eutectic solvents (DESs) for the first time. Only liquid density data were used to obtain the segment number, the temperature-independent segment diameter and the dispersion-energy parameter, as water activities cannot be obtained for hydrophobic substances. VLE data were successfully predicted without the need for any adjustable binary interaction kij. Thus, solubilities of CO2 in hydrophobic DESs could be approximated with the PC-SAFT model using parameters fitted to liquid densities only.

\u3cp\u3eThe PC-SAFT 'pseudo-pure' approach was used for the modeling of CO\u3csub\u3e2\u... more \u3cp\u3eThe PC-SAFT 'pseudo-pure' approach was used for the modeling of CO\u3csub\u3e2\u3c/sub\u3e solubilities in various hydrophobic deep eutectic solvents (DESs) for the first time. Only liquid density data were used to obtain the segment number, the temperature-independent segment diameter and the dispersion-energy parameter, as water activities cannot be obtained for hydrophobic substances. VLE data were successfully predicted without the need for any adjustable binary interaction k \u3csub\u3eij\u3c/sub\u3e. Thus, solubilities of CO\u3csub\u3e2\u3c/sub\u3e in hydrophobic DESs could be approximated with the PC-SAFT model using parameters fitted to liquid densities only.\u3c/p\u3

The Journal of Physical Chemistry B, 2020

Since their discovery, deep eutectic solvents (DES) have been explored in multiple applications. ... more Since their discovery, deep eutectic solvents (DES) have been explored in multiple applications. However, the complete physicochemical characterization is still nonexistent for many of the proposed and used DES. In particular, vapor pressure, which is a crucial property for the application of DES as solvents, is very rarely available. In this work, the measurement of the total and partial pressures of two sulfolane-based DES, tetrabutylammonium bromide:sulfolane and tetrabutylphosphonium bromide:sulfolane, in several proportions, from 40 to 100°C and atmospheric pressure, was performed using headspace gas chromatography mass spectrometry, HS-GC-MS. A large decrease on the total pressure was recorded which, together with the finding that total pressures showed negative deviations from Raoult's law, is indicative of the favorable, strong interactions between the two components within the DES. Additionally, the study of vapor pressure change with DES molar composition was carried out, and surprisingly, the existence of inflection points in the pressure curve was observed. Experimental results were modeled using the PC-SAFT equation of state, and in addition, MD simulations were performed to provide a molecular understanding of the pressure data. Considering the different results and insights obtained from the used strategies, it can be concluded that both DES systems have especially strong interactions between salt and sulfolane, at high sulfolane content, due to the different structural rearrangement of the liquid state.

ACS Sustainable Chemistry & Engineering, 2020

Hydrophobic deep eutectic solvents (DESs) are a new generation of water immiscible solvents that ... more Hydrophobic deep eutectic solvents (DESs) are a new generation of water immiscible solvents that have been presented in the literature for the first time in 2015. These solvents have been used for many applications. Here, an overview is given regarding hydrophobic DESs with their physicochemical properties, applications and the challenges and limitations that the field currently is experiencing. First, a general introduction and an introduction to hydrophobic DESs is presented to explain more about DESs, their origin and hydrophobic ones. Here also an overview of all the hydrophobic DESs presented in the literature is given. After the introduction physicochemical properties such as density, viscosity, melting point, degradation temperature, volatilities and solvatochromic properties is discussed. It is continued with the discussion of 21 different applications of hydrophobic DESs. In general, applications related to liquid-liquid extractions, liquid-liquid microextractions, the formation of two and three phase systems, the removal of components from leaves, gas-liquid extractions, the formation of hydrogels, membrane formation, centrifugal partition chromatography, the formation of a ferrofluid, coating, photo luminescence and dye sensitized solar cells and catalysis has been investigated. Finally, challenges and limitation of hydrophobic DESs are discussed.

Industrial & Engineering Chemistry Research, 2019

Furfural is a platform chemical that can be obtained from renewable resources. It can be produced... more Furfural is a platform chemical that can be obtained from renewable resources. It can be produced by acid-catalyzed dehydration of xylose. Currently, the furfural yield is relatively low due to side reactions (degradation of furfural). The furfural yield can be improved by rapid and continuous removal of the furfural from the reaction mixture (in situ extraction), preventing further furfural degradation. In this work, the (in situ) extraction of furfural from the reaction mixture using different organic solvents and hydrophobic deep eutectic solvents is investigated. First, the distribution coefficients of furfural in various organic solvents were determined. It was found that extracting agents containing phenol groups showed the highest distribution ratios. Thereafter, the acid-catalyzed degradation of furfural in the presence of the different solvents was assessed. Addition of organic solvents or hydrophobic deep eutectic solvents resulted in a significant decrease in furfural degradation compared to the blank and the benchmark. Finally, in situ extraction with the different extracting agents was performed. The xylose conversion was not influenced by solvent addition, whereas the furfural yields were significantly higher compared to the blank experiment, even when low amounts of extracting agents were applied. This was explained by the limited co-extraction of the acid to the organic phase, preventing further contact/reaction between the furfural and the acid. Hence, organic solvents and hydrophobic deep eutectic solvents can be promising in situ extracting agents for the removal of furfural from biorefinery processes.

Industrial & Engineering Chemistry Research, 2019

DOI to the publisher's website. • The final author version and the galley proof are versions of t... more DOI to the publisher's website. • The final author version and the galley proof are versions of the publication after peer review. • The final published version features the final layout of the paper including the volume, issue and page numbers. Link to publication General rights Copyright and moral rights for the publications made accessible in the public portal are retained by the authors and/or other copyright owners and it is a condition of accessing publications that users recognise and abide by the legal requirements associated with these rights. • Users may download and print one copy of any publication from the public portal for the purpose of private study or research. • You may not further distribute the material or use it for any profit-making activity or commercial gain • You may freely distribute the URL identifying the publication in the public portal. If the publication is distributed under the terms of Article 25fa of the Dutch Copyright Act, indicated by the "Taverne" license above, please follow below link for the End User Agreement:

Fluid Phase Equilibria, 2019

DOI to the publisher's website. • The final author version and the galley proof are versions of t... more DOI to the publisher's website. • The final author version and the galley proof are versions of the publication after peer review. • The final published version features the final layout of the paper including the volume, issue and page numbers. Link to publication General rights Copyright and moral rights for the publications made accessible in the public portal are retained by the authors and/or other copyright owners and it is a condition of accessing publications that users recognise and abide by the legal requirements associated with these rights. • Users may download and print one copy of any publication from the public portal for the purpose of private study or research. • You may not further distribute the material or use it for any profit-making activity or commercial gain • You may freely distribute the URL identifying the publication in the public portal. If the publication is distributed under the terms of Article 25fa of the Dutch Copyright Act, indicated by the "Taverne" license above, please follow below link for the End User Agreement:

Journal of Chemical & Engineering Data, 2017

DOI to the publisher's website. • The final author version and the galley proof are versions of t... more DOI to the publisher's website. • The final author version and the galley proof are versions of the publication after peer review. • The final published version features the final layout of the paper including the volume, issue and page numbers. Link to publication General rights Copyright and moral rights for the publications made accessible in the public portal are retained by the authors and/or other copyright owners and it is a condition of accessing publications that users recognise and abide by the legal requirements associated with these rights. • Users may download and print one copy of any publication from the public portal for the purpose of private study or research. • You may not further distribute the material or use it for any profit-making activity or commercial gain • You may freely distribute the URL identifying the publication in the public portal. If the publication is distributed under the terms of Article 25fa of the Dutch Copyright Act, indicated by the "Taverne" license above, please follow below link for the End User Agreement:

Chemical Communications, 2016

Hydrophobic deep eutectic solvents composed of decanoic acid and lidocaine were used for the remo... more Hydrophobic deep eutectic solvents composed of decanoic acid and lidocaine were used for the removal of metal ions from an aquatic environment.

ACS Sustainable Chemistry & Engineering, 2019

DOI to the publisher's website. • The final author version and the galley proof are versions of t... more DOI to the publisher's website. • The final author version and the galley proof are versions of the publication after peer review. • The final published version features the final layout of the paper including the volume, issue and page numbers. Link to publication General rights Copyright and moral rights for the publications made accessible in the public portal are retained by the authors and/or other copyright owners and it is a condition of accessing publications that users recognise and abide by the legal requirements associated with these rights. • Users may download and print one copy of any publication from the public portal for the purpose of private study or research. • You may not further distribute the material or use it for any profit-making activity or commercial gain • You may freely distribute the URL identifying the publication in the public portal. If the publication is distributed under the terms of Article 25fa of the Dutch Copyright Act, indicated by the "Taverne" license above, please follow below link for the End User Agreement:

ACS Sustainable Chemistry & Engineering, 2019

Head-space gas chromatography mass spectrometry (HS-GC-MS) was used for the first time to measure... more Head-space gas chromatography mass spectrometry (HS-GC-MS) was used for the first time to measure the total vapor pressure of hydrophobic deep eutectic solvents (DESs). The new method was developed as a valid alternative for thermogravimetric analysis (TGA), as TGA did not allow obtaining reliable total vapor pressure data for the hydrophobic DESs studied in this work. The main advantage of HS-GC-MS is that the partial pressure of each DES constituent and the contribution of each DES constituent to the total vapor pressure of the mixture can be measured. The results give a clear indication of the interactions occurring between the DES constituents. Also, activity coefficients, enthalpies of evaporation and activation energies for fluid displacement were obtained and correlated to the measured vapor pressure data. It was confirmed that the total vapor pressures of the hydrophobic DESs are very low in comparison to vapor pressures of commonly used volatile organic solvents like toluene. The total vapor pressures of the hydrophobic DESs were successfully predicted with Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) when using PC-SAFT parameters for the individual DES constituents.

Faraday Discussions, 2017

For the first time, 12 different supported deep eutectic solvent (DES) liquid membranes were prep... more For the first time, 12 different supported deep eutectic solvent (DES) liquid membranes were prepared and characterized.

Fluid Phase Equilibria

Abstract The PC-SAFT ‘pseudo-pure’ approach was used for the modeling of CO2 solubilities in vari... more Abstract The PC-SAFT ‘pseudo-pure’ approach was used for the modeling of CO2 solubilities in various hydrophobic deep eutectic solvents (DESs) for the first time. Only liquid density data were used to obtain the segment number, the temperature-independent segment diameter and the dispersion-energy parameter, as water activities cannot be obtained for hydrophobic substances. VLE data were successfully predicted without the need for any adjustable binary interaction kij. Thus, solubilities of CO2 in hydrophobic DESs could be approximated with the PC-SAFT model using parameters fitted to liquid densities only.