Ning Sun - Academia.edu (original) (raw)
Papers by Ning Sun
Industrial & Engineering Chemistry Research, 2022
Lignin fractionation helps its valorization process and yields high-quality and-value products. I... more Lignin fractionation helps its valorization process and yields high-quality and-value products. In this study, cascading tangential flow filtration (TFF) was employed for the fractionation of lignin molecules. The lignin-rich stream was obtained from the pretreatment process of corn stover using alkali (NaOH) and cholinium lysinate ([Ch][Lys]) as the catalyst. The effect of TFF (microfiltration, ultrafiltration, and nanofiltration) on lignin molecular weight, sugar distribution, viscosity, and lignin functional groups was investigated. In general, the study concluded that the average molecular weight (MW) and polydispersity of the permeate stream decreased with the reduction of the membrane pore size. TFF was effective in separating the low-MW lignin (200−350 Da) from the aqueous stream. Approximately 2% of monomeric lignin and 10−20% of low-molecular-weight lignin were recovered from NaOH-and [Ch][Lys]-extracted streams. Techno-economic analysis (TEA) results show that a high percentage of the low-MW lignin extraction can be achieved via a cascade TFF membrane operating at high transmembrane pressures (TMPs) and cross membrane velocities. Additionally, a high initial concentration of lignin in the liquid stream plays a critical role in the lignin product yield and recovery cost.
Bioresource Technology, 2015
Municipal solid waste (MSW) represents an attractive cellulosic resource for sustainable fuel 21 ... more Municipal solid waste (MSW) represents an attractive cellulosic resource for sustainable fuel 21 production. However, its heterogeneity is the major barrier to efficient conversion to biofuels. 22 MSW paper mix was generated and blended with corn stover (CS). It has been shown that both 23 of them can be efficiently pretreated in certain ionic liquids (ILs) with high yields of 24 fermentable sugars. After pretreatment in 1-ethyl-3-methylimidazolium acetate 25 ([C 2 C 1 Im][OAc]), over 80% glucose has been released with enzymatic saccharification. We 26 have also applied an enzyme-free process by adding mineral acid and water directly into the 27 IL/biomass slurry to induce hydrolysis. With the acidolysis process in 28 1-ethyl-3-methylimidazolium chloride ([C 2 C 1 Im]Cl), up to 80% glucose and 90% xylose are 29 released. There is a correlation between the viscosity profile and hydrolysis efficiency; low 30 viscosity of the hydrolysate generally corresponds to high sugar yields. Overall, the results 31 indicate the feasibility of incorporating MSW as a robust blending agent for biorefineries.
Green Chemistry, 2015
The cost of ionic liquids (ILs) is a barrier to utilization in cellulosic biorefinery pretreatmen... more The cost of ionic liquids (ILs) is a barrier to utilization in cellulosic biorefinery pretreatment. Our low-cost [HSO4]− ILs are nearly as efficient as standard [OAc] options.
![Research paper thumbnail of New Experimental Density Data and Soft-SAFT Models of Alkylimidazolium ([CnC1im]+) Chloride (Cl–), Methylsulfate ([MeSO4]−), and Dimethylphosphate ([Me2PO4]−) Based Ionic Liquids](https://attachments.academia-assets.com/93400412/thumbnails/1.jpg)
](The Journal of Physical Chemistry B, 2014
Ionic liquids have been shown to have application in several areas of importance in the context o... more Ionic liquids have been shown to have application in several areas of importance in the context of sustainable industrial activity. One application of particular interest is the ability of certain ionic liquids to dissolve biomass. This clearly marks them as useful materials with application within biorefineries. In this contribution, we present new coarse-grained soft-SAFT models and experimental density data of chloride (Cl −), methylsulfate ([MeSO 4 ] −), and dimethylphosphate ([Me 2 PO 4 ] −) based ionic liquids which are relevant for biomass deconstruction processes. Model parameters were obtained by fitting to pure component temperature density data, and the models were subsequently tested by assessing their ability to accurately calculate viscosity and interfacial surface tension. We also developed models of mixtures of the ionic liquids with water and shortchain linear alcohols. We decomposed the contributions to the excess Gibbs energy of mixing to chemical and structural contributions, and used this to provide some insight into the driving forces for solubility of molecular species in these ionic liquids.
Physical Chemistry Chemical Physics, 2009
Green Chemistry, 2013
Acid enhanced ionic liquid pretreatment is a promising method for boosting the yield of sugars pr... more Acid enhanced ionic liquid pretreatment is a promising method for boosting the yield of sugars produced from purified cellulose. Acid enhancement significantly increases the yields of sugars from the lignocellulosic feedstock switchgrass. The addition of Amberlyst 15, a protic acid resin, to the ionic liquid pretreatment of switchgrass boosted the yield of sugar up to ten times, decreased the amount of cellulase required for saccharification and increased the biocatalytic conversion of switchgrass into free fatty acids 10-fold to 22% of the theoretical yield.
Green Chemistry, 2011
Materials The wood samples were received from Seaman Timber Co. (Montevallo, AL) as shavings. Bag... more Materials The wood samples were received from Seaman Timber Co. (Montevallo, AL) as shavings. Bagasse was donated by the Sugar Cane Growers Cooperative of Florida (Belle Glade, Florida). The biomass samples were ground into powder using a lab mill and sieved to particles less than 0.125 mm (wood) or 0.25 mm (bagasse), then dried overnight in an oven at 90 C. The IL, 1ethyl-3-methylimidazolium acetate ([C 2 mim]OAc, ≥95%) was obtained from Iolitec (Ionic Liquids Technologies GmbH, Heilbronn, Germany). Microcrystalline cellulose (MCC) was purchased from Sigma-Aldrich Inc. (Milwaukee, WI), and Indulin AT (lignin from the kraft pulping process) from MeadWestvaco Corporation (Glen Allen, VA). All the other reagents were obtained from Sigma-Aldrich (St. Louis, MO) and used as received.
Green Chemistry, 2011
NMR analysis for IL decomposition. To determine whether IL decomposed under the processing condit... more NMR analysis for IL decomposition. To determine whether IL decomposed under the processing conditions, [C 2 mim]OAc was heated at 185 o C for 10 min or 110 o C for 16 h and analyzed by NMR using a Bruker Avance 500 MHz NMR spectrometer. 1 H NMR spectra were collected with 128 scans at 500.13 MHz. The results are shown in Figure S1 and indicate some decomposition of the IL after heating. FTIR analysis for regenerated MCC. To determine whether cellulose was acetylated in [C 2 mim]OAc after heating, 0.5 g MCC was dissolved in [C 2 mim]OAc under different heating conditions: 90 o C for 10 min, 110 o C for 16 h, and 185 o C for 10 min. After dissolution, the solution was regenerated in 100 mL DI water at room
Biotechnology for Biofuels, 2013
Background The use of Ionic liquids (ILs) as biomass solvents is considered to be an attractive a... more Background The use of Ionic liquids (ILs) as biomass solvents is considered to be an attractive alternative for the pretreatment of lignocellulosic biomass. Acid catalysts have been used previously to hydrolyze polysaccharides into fermentable sugars during IL pretreatment. This could potentially provide a means of liberating fermentable sugars from biomass without the use of costly enzymes. However, the separation of the sugars from the aqueous IL and recovery of IL is challenging and imperative to make this process viable. Results Aqueous alkaline solutions are used to induce the formation of a biphasic system to recover sugars produced from the acid catalyzed hydrolysis of switchgrass in imidazolium-based ILs. The amount of sugar produced from this process was proportional to the extent of biomass solubilized. Pretreatment at high temperatures (e.g., 160°C, 1.5 h) was more effective in producing glucose. Sugar extraction into the alkali phase was dependent on both the amount of s...
Journal of Physical and Chemical Reference Data, 2006
A comprehensive database on physical properties of ionic liquids ͑ILs͒, which was collected from ... more A comprehensive database on physical properties of ionic liquids ͑ILs͒, which was collected from 109 kinds of literature sources in the period from 1984 through 2004, has been presented. There are 1680 pieces of data on the physical properties for 588 available ILs, from which 276 kinds of cations and 55 kinds of anions were extracted. In terms of the collected database, the structure-property relationship was evaluated. The correlation of melting points of two most common systems, disubstituted imidazolium tetrafluoroborate and disubstituted imidazolium hexafluorophosphate, was carried out using a quantitative structure-property relationship method.
BioEnergy Research, 2015
Alcohols of increasing alkyl chain length were investigated as precipitants in an ionic liquid (I... more Alcohols of increasing alkyl chain length were investigated as precipitants in an ionic liquid (IL) pretreatment system. S w i t c h g r a s s s a m p l e s p r e t r e a t e d b y 1-e t h y l-3methylimidazolium acetate were characterized after the use of different alkyl chain lengths of alcohols as antisolvents. The resulting IL-pretreated switchgrass (PSG) samples were characterized by enzymatic hydrolysis, cross polarization/magic angle spinning (CP/MAS) 13 C nuclear magnetic resonance (NMR), Fourier transform infrared spectroscopy (FTIR), and 2D NMR spectroscopy. Glucan digestibilities of PSG samples were ∼80 % after 72 h at 5 mg protein g −1 glucan regardless of the antisolvent used. The use of 1-octanol as an antisolvent, with 10 % water to allow for use of wet biomass, enabled a partial lignin fractionation and multiphase separation for the IL recycle without compromising the chemical structure of the carbohydrates and lignin from the PSG. Lignin fragments were observed in the IL after pretreatment by gel permeation chromatography (GPC). After separation, both the IL and the octanol antisolvent were reused for switchgrass pretreatment and precipitation for an additional 3 cycles. The PSG samples derived from recycled IL were rapidly hydrolyzed, and a high glucan digestibility of 80 % was obtained even at a low enzyme loading of 5 mg protein g −1 glucan. 2D NMR analysis of residual solids of PSG postenzymatic hydrolysis revealed that lignin in these residual solids was depolymerized. This strategy enables an ease in separation of pretreated lignocellulosic solids, reduced water use, and recycle of both IL and the antisolvent.
The adoption of lignocellulosic feedstocks in an industrial process used to commercially produce ... more The adoption of lignocellulosic feedstocks in an industrial process used to commercially produce biofuels is contingent upon cost-effectively and efficiently disrupting the lignin present, as it inhibits downstream enzymatic-hydrolysis efficiency. There are numerous reports in the scientific literature on the capability of ionic liquids (ILs) to disrupt cellulose structure and dissolve lignin effectively. Ionic liquids offer exciting prospects due to properties such as their low volatility and “tunability”. In this study a new class of ionic liquids were designed and tested for their capacity to improve the enzymatic hydrolysis efficiency of switchgrass. The ionic liquids tested were based upon a sulphate anion, whilst varying the cation. The number of alkyl chains on ammonium based cations were investigated. The ionic liquids were designed so that they can effectivly remove lignin and leave the cellulose intact, thereby enabling easier fractionation post pretreatment. Another benef...
The Journal of Physical Chemistry B, 2014
Ionic liquids have been shown to have application in several areas of importance in the context o... more Ionic liquids have been shown to have application in several areas of importance in the context of sustainable industrial activity. One application of particular interest is the ability of certain ionic liquids to dissolve biomass. This clearly marks them as useful materials with application within biorefineries. In this contribution, we present new coarse-grained soft-SAFT models and experimental density data of chloride (Cl(-)), methylsulfate ([MeSO4](-)), and dimethylphosphate ([Me2PO4](-)) based ionic liquids which are relevant for biomass deconstruction processes. Model parameters were obtained by fitting to pure component temperature density data, and the models were subsequently tested by assessing their ability to accurately calculate viscosity and interfacial surface tension. We also developed models of mixtures of the ionic liquids with water and short-chain linear alcohols. We decomposed the contributions to the excess Gibbs energy of mixing to chemical and structural contributions, and used this to provide some insight into the driving forces for solubility of molecular species in these ionic liquids.
![Research paper thumbnail of New Experimental Density Data and Soft-SAFT Models of Alkylimidazolium ([C<sub>n</sub>C<sub>1</sub>im]<sup>+</sup>) Chloride (Cl<sup>-</sup>), Methylsulphate ([MeSO<sub>4</sub>]<sup>-</sup>) and Dimethylphosphate ([Me<sub>2</sub>PO<sub>4</sub>]<sup>-</sup>) Based Ionic Liquids](https://attachments.academia-assets.com/39902939/thumbnails/1.jpg)
](The Journal of Physical Chemistry B, 2014
Ionic liquids have been shown to have application in several areas of importance in the context o... more Ionic liquids have been shown to have application in several areas of importance in the context of sustainable industrial activity. One application of particular interest is the ability of certain ionic liquids to dissolve biomass. This clearly marks them as useful materials with application within biorefineries. In this contribution, we present new coarse-grained soft-SAFT models and experimental density data of chloride (Cl − ), methylsulfate ([MeSO 4 ] − ), and dimethylphosphate ([Me 2 PO 4 ] − ) based ionic liquids which are relevant for biomass deconstruction processes. Model parameters were obtained by fitting to pure component temperature density data, and the models were subsequently tested by assessing their ability to accurately calculate viscosity and interfacial surface tension. We also developed models of mixtures of the ionic liquids with water and shortchain linear alcohols. We decomposed the contributions to the excess Gibbs energy of mixing to chemical and structural contributions, and used this to provide some insight into the driving forces for solubility of molecular species in these ionic liquids.
Industrial & Engineering Chemistry Research, 2022
Lignin fractionation helps its valorization process and yields high-quality and-value products. I... more Lignin fractionation helps its valorization process and yields high-quality and-value products. In this study, cascading tangential flow filtration (TFF) was employed for the fractionation of lignin molecules. The lignin-rich stream was obtained from the pretreatment process of corn stover using alkali (NaOH) and cholinium lysinate ([Ch][Lys]) as the catalyst. The effect of TFF (microfiltration, ultrafiltration, and nanofiltration) on lignin molecular weight, sugar distribution, viscosity, and lignin functional groups was investigated. In general, the study concluded that the average molecular weight (MW) and polydispersity of the permeate stream decreased with the reduction of the membrane pore size. TFF was effective in separating the low-MW lignin (200−350 Da) from the aqueous stream. Approximately 2% of monomeric lignin and 10−20% of low-molecular-weight lignin were recovered from NaOH-and [Ch][Lys]-extracted streams. Techno-economic analysis (TEA) results show that a high percentage of the low-MW lignin extraction can be achieved via a cascade TFF membrane operating at high transmembrane pressures (TMPs) and cross membrane velocities. Additionally, a high initial concentration of lignin in the liquid stream plays a critical role in the lignin product yield and recovery cost.
Bioresource Technology, 2015
Municipal solid waste (MSW) represents an attractive cellulosic resource for sustainable fuel 21 ... more Municipal solid waste (MSW) represents an attractive cellulosic resource for sustainable fuel 21 production. However, its heterogeneity is the major barrier to efficient conversion to biofuels. 22 MSW paper mix was generated and blended with corn stover (CS). It has been shown that both 23 of them can be efficiently pretreated in certain ionic liquids (ILs) with high yields of 24 fermentable sugars. After pretreatment in 1-ethyl-3-methylimidazolium acetate 25 ([C 2 C 1 Im][OAc]), over 80% glucose has been released with enzymatic saccharification. We 26 have also applied an enzyme-free process by adding mineral acid and water directly into the 27 IL/biomass slurry to induce hydrolysis. With the acidolysis process in 28 1-ethyl-3-methylimidazolium chloride ([C 2 C 1 Im]Cl), up to 80% glucose and 90% xylose are 29 released. There is a correlation between the viscosity profile and hydrolysis efficiency; low 30 viscosity of the hydrolysate generally corresponds to high sugar yields. Overall, the results 31 indicate the feasibility of incorporating MSW as a robust blending agent for biorefineries.
Green Chemistry, 2015
The cost of ionic liquids (ILs) is a barrier to utilization in cellulosic biorefinery pretreatmen... more The cost of ionic liquids (ILs) is a barrier to utilization in cellulosic biorefinery pretreatment. Our low-cost [HSO4]− ILs are nearly as efficient as standard [OAc] options.
The Journal of Physical Chemistry B, 2014
Ionic liquids have been shown to have application in several areas of importance in the context o... more Ionic liquids have been shown to have application in several areas of importance in the context of sustainable industrial activity. One application of particular interest is the ability of certain ionic liquids to dissolve biomass. This clearly marks them as useful materials with application within biorefineries. In this contribution, we present new coarse-grained soft-SAFT models and experimental density data of chloride (Cl −), methylsulfate ([MeSO 4 ] −), and dimethylphosphate ([Me 2 PO 4 ] −) based ionic liquids which are relevant for biomass deconstruction processes. Model parameters were obtained by fitting to pure component temperature density data, and the models were subsequently tested by assessing their ability to accurately calculate viscosity and interfacial surface tension. We also developed models of mixtures of the ionic liquids with water and shortchain linear alcohols. We decomposed the contributions to the excess Gibbs energy of mixing to chemical and structural contributions, and used this to provide some insight into the driving forces for solubility of molecular species in these ionic liquids.
Physical Chemistry Chemical Physics, 2009
Green Chemistry, 2013
Acid enhanced ionic liquid pretreatment is a promising method for boosting the yield of sugars pr... more Acid enhanced ionic liquid pretreatment is a promising method for boosting the yield of sugars produced from purified cellulose. Acid enhancement significantly increases the yields of sugars from the lignocellulosic feedstock switchgrass. The addition of Amberlyst 15, a protic acid resin, to the ionic liquid pretreatment of switchgrass boosted the yield of sugar up to ten times, decreased the amount of cellulase required for saccharification and increased the biocatalytic conversion of switchgrass into free fatty acids 10-fold to 22% of the theoretical yield.
Green Chemistry, 2011
Materials The wood samples were received from Seaman Timber Co. (Montevallo, AL) as shavings. Bag... more Materials The wood samples were received from Seaman Timber Co. (Montevallo, AL) as shavings. Bagasse was donated by the Sugar Cane Growers Cooperative of Florida (Belle Glade, Florida). The biomass samples were ground into powder using a lab mill and sieved to particles less than 0.125 mm (wood) or 0.25 mm (bagasse), then dried overnight in an oven at 90 C. The IL, 1ethyl-3-methylimidazolium acetate ([C 2 mim]OAc, ≥95%) was obtained from Iolitec (Ionic Liquids Technologies GmbH, Heilbronn, Germany). Microcrystalline cellulose (MCC) was purchased from Sigma-Aldrich Inc. (Milwaukee, WI), and Indulin AT (lignin from the kraft pulping process) from MeadWestvaco Corporation (Glen Allen, VA). All the other reagents were obtained from Sigma-Aldrich (St. Louis, MO) and used as received.
Green Chemistry, 2011
NMR analysis for IL decomposition. To determine whether IL decomposed under the processing condit... more NMR analysis for IL decomposition. To determine whether IL decomposed under the processing conditions, [C 2 mim]OAc was heated at 185 o C for 10 min or 110 o C for 16 h and analyzed by NMR using a Bruker Avance 500 MHz NMR spectrometer. 1 H NMR spectra were collected with 128 scans at 500.13 MHz. The results are shown in Figure S1 and indicate some decomposition of the IL after heating. FTIR analysis for regenerated MCC. To determine whether cellulose was acetylated in [C 2 mim]OAc after heating, 0.5 g MCC was dissolved in [C 2 mim]OAc under different heating conditions: 90 o C for 10 min, 110 o C for 16 h, and 185 o C for 10 min. After dissolution, the solution was regenerated in 100 mL DI water at room
Biotechnology for Biofuels, 2013
Background The use of Ionic liquids (ILs) as biomass solvents is considered to be an attractive a... more Background The use of Ionic liquids (ILs) as biomass solvents is considered to be an attractive alternative for the pretreatment of lignocellulosic biomass. Acid catalysts have been used previously to hydrolyze polysaccharides into fermentable sugars during IL pretreatment. This could potentially provide a means of liberating fermentable sugars from biomass without the use of costly enzymes. However, the separation of the sugars from the aqueous IL and recovery of IL is challenging and imperative to make this process viable. Results Aqueous alkaline solutions are used to induce the formation of a biphasic system to recover sugars produced from the acid catalyzed hydrolysis of switchgrass in imidazolium-based ILs. The amount of sugar produced from this process was proportional to the extent of biomass solubilized. Pretreatment at high temperatures (e.g., 160°C, 1.5 h) was more effective in producing glucose. Sugar extraction into the alkali phase was dependent on both the amount of s...
Journal of Physical and Chemical Reference Data, 2006
A comprehensive database on physical properties of ionic liquids ͑ILs͒, which was collected from ... more A comprehensive database on physical properties of ionic liquids ͑ILs͒, which was collected from 109 kinds of literature sources in the period from 1984 through 2004, has been presented. There are 1680 pieces of data on the physical properties for 588 available ILs, from which 276 kinds of cations and 55 kinds of anions were extracted. In terms of the collected database, the structure-property relationship was evaluated. The correlation of melting points of two most common systems, disubstituted imidazolium tetrafluoroborate and disubstituted imidazolium hexafluorophosphate, was carried out using a quantitative structure-property relationship method.
BioEnergy Research, 2015
Alcohols of increasing alkyl chain length were investigated as precipitants in an ionic liquid (I... more Alcohols of increasing alkyl chain length were investigated as precipitants in an ionic liquid (IL) pretreatment system. S w i t c h g r a s s s a m p l e s p r e t r e a t e d b y 1-e t h y l-3methylimidazolium acetate were characterized after the use of different alkyl chain lengths of alcohols as antisolvents. The resulting IL-pretreated switchgrass (PSG) samples were characterized by enzymatic hydrolysis, cross polarization/magic angle spinning (CP/MAS) 13 C nuclear magnetic resonance (NMR), Fourier transform infrared spectroscopy (FTIR), and 2D NMR spectroscopy. Glucan digestibilities of PSG samples were ∼80 % after 72 h at 5 mg protein g −1 glucan regardless of the antisolvent used. The use of 1-octanol as an antisolvent, with 10 % water to allow for use of wet biomass, enabled a partial lignin fractionation and multiphase separation for the IL recycle without compromising the chemical structure of the carbohydrates and lignin from the PSG. Lignin fragments were observed in the IL after pretreatment by gel permeation chromatography (GPC). After separation, both the IL and the octanol antisolvent were reused for switchgrass pretreatment and precipitation for an additional 3 cycles. The PSG samples derived from recycled IL were rapidly hydrolyzed, and a high glucan digestibility of 80 % was obtained even at a low enzyme loading of 5 mg protein g −1 glucan. 2D NMR analysis of residual solids of PSG postenzymatic hydrolysis revealed that lignin in these residual solids was depolymerized. This strategy enables an ease in separation of pretreated lignocellulosic solids, reduced water use, and recycle of both IL and the antisolvent.
The adoption of lignocellulosic feedstocks in an industrial process used to commercially produce ... more The adoption of lignocellulosic feedstocks in an industrial process used to commercially produce biofuels is contingent upon cost-effectively and efficiently disrupting the lignin present, as it inhibits downstream enzymatic-hydrolysis efficiency. There are numerous reports in the scientific literature on the capability of ionic liquids (ILs) to disrupt cellulose structure and dissolve lignin effectively. Ionic liquids offer exciting prospects due to properties such as their low volatility and “tunability”. In this study a new class of ionic liquids were designed and tested for their capacity to improve the enzymatic hydrolysis efficiency of switchgrass. The ionic liquids tested were based upon a sulphate anion, whilst varying the cation. The number of alkyl chains on ammonium based cations were investigated. The ionic liquids were designed so that they can effectivly remove lignin and leave the cellulose intact, thereby enabling easier fractionation post pretreatment. Another benef...
The Journal of Physical Chemistry B, 2014
Ionic liquids have been shown to have application in several areas of importance in the context o... more Ionic liquids have been shown to have application in several areas of importance in the context of sustainable industrial activity. One application of particular interest is the ability of certain ionic liquids to dissolve biomass. This clearly marks them as useful materials with application within biorefineries. In this contribution, we present new coarse-grained soft-SAFT models and experimental density data of chloride (Cl(-)), methylsulfate ([MeSO4](-)), and dimethylphosphate ([Me2PO4](-)) based ionic liquids which are relevant for biomass deconstruction processes. Model parameters were obtained by fitting to pure component temperature density data, and the models were subsequently tested by assessing their ability to accurately calculate viscosity and interfacial surface tension. We also developed models of mixtures of the ionic liquids with water and short-chain linear alcohols. We decomposed the contributions to the excess Gibbs energy of mixing to chemical and structural contributions, and used this to provide some insight into the driving forces for solubility of molecular species in these ionic liquids.
The Journal of Physical Chemistry B, 2014
Ionic liquids have been shown to have application in several areas of importance in the context o... more Ionic liquids have been shown to have application in several areas of importance in the context of sustainable industrial activity. One application of particular interest is the ability of certain ionic liquids to dissolve biomass. This clearly marks them as useful materials with application within biorefineries. In this contribution, we present new coarse-grained soft-SAFT models and experimental density data of chloride (Cl − ), methylsulfate ([MeSO 4 ] − ), and dimethylphosphate ([Me 2 PO 4 ] − ) based ionic liquids which are relevant for biomass deconstruction processes. Model parameters were obtained by fitting to pure component temperature density data, and the models were subsequently tested by assessing their ability to accurately calculate viscosity and interfacial surface tension. We also developed models of mixtures of the ionic liquids with water and shortchain linear alcohols. We decomposed the contributions to the excess Gibbs energy of mixing to chemical and structural contributions, and used this to provide some insight into the driving forces for solubility of molecular species in these ionic liquids.