Physical Properties of 7-Methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene (mTBD)

7-Methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene (mTBD) has useful catalytic properties and can form an ionic liquid when mixed with an acid. Despite its potential usefulness, no data on its thermodynamic and transport properties are currently available in the literature. Here we present the first reliable public data on the liquid vapor pressure (temperature from 318.23K to 451.2K and pressure from 11.1Pa to 10000Pa), liquid compressed density (293.15K to 473.15K and 0.092MPa to 15.788MPa), liquid isobaric heat capacity (312.48K to 391.50K), melting properties, liquid thermal conductivity (299.0K to 372.9K), liquid refractive index (293.15K to 343.15K), liquid viscosity (290.79K to 363.00K), liquid-vapor enthalpy of vaporization (318.23K to 451.2K), liquid thermal expansion coefficient (293.15K to 473.15K), and liquid isothermal compressibility of mTBD (293.15K to 473.15). The properties of mTBD were compared with those of other relevant compounds, including 1,5-diazabicyclo(4.3.0)non-5-ene (DBN), 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU), and 1,1,3,3-tetramethylguanidine (TMG). We used the PC-SAFT equation of state to model the thermodynamic properties of mTBD, DBN, DBU, and TMG. The PC-SAFT parameters were optimized using experimental data.Peer reviewe

1‑Butanol Separation from Aqueous Acetone-Butanol-Ethanol (ABE) Solutions by Freeze Concentration

The suspension freeze crystallization of aqueous 1-butanol solutions, synthetic acetone-butanol-ethanol (ABE) solutions, and ABE fermentation broth was studied as a novel concentration method that requires less energy than evaporation for water removal. The equimolar aqueous ABE solutions in a total molality range of 0–5.05 mol/kg(water) were proven to be ideal solutions based on the freezing point depression obtained. An aqueous solution of 8 wt % 1-butanol and three different types of aqueous ABE solutions (3:8:1:88 ABEW, 6:16:2:76 ABEW, and 10:17:2:71 ABEW (wt %)) were concentrated for 80 min by suspension freeze crystallization in a subcooling range from 0.24 to 1.15 °C. Freeze crystallization enabled 1-butanol separation from the generated mother liquor, which split into two liquid phases after ice separation, i.e., a water-enriched phase and a 1-butanol-enriched phase. Ice yield values were higher for higher subcooling degrees and higher initial water content in the feed solutions. 1-Butanol yields separated from the mother liquors were 9.85%, 59.46%, and 22.46% for 3:8:1:88 ABEW, 6:16:2:76 ABEW, and 10:17:2:71 ABEW, respectively, whereas two-stage freeze crystallization of the fermentation broths resulted in water removal with a maximum relative percentage of 29.5%.Peer reviewe

Freeze concentration of aqueous pyrolysis oil extract and levoglucosan recovery by cooling crystallization

Funding Information: The authors are grateful to Jianxin Zhang, Janne Vuori, Hossein Baniasadi and Eero Haimi for technical assistance on characterizations of levoglucosan. Publisher Copyright: © 2023 The AuthorsIn this work, pyrolysis oil produced by the slow pyrolysis of pinewood was the feed solution for a freeze concentration study and cooling crystallization recovery of levoglucosan. Liquid-liquid extraction of water-soluble compounds was performed by adding water to the original pyrolysis oil with ratios of 1:1 and 1:5 water: pyrolysis oil (wt%), respectively. A two-step suspension freeze concentration was then performed with the 1:1 and 1:5 aqueous pyrolysis oils (AqPO) to concentrate the solutions. The efficiency of water removal from AqPO was assessed by measuring the ice yield and distribution coefficient of ice impurities. Levoglucosan recovery from a supersaturated 1:1 AqPO-water mixture was performed for 37.5 min and 60 min by cooling crystallization with an aging time of 60 min. The average recovery rate of levoglucosan was 24 wt% with mean levoglucosan crystal size of 831 μm.Peer reviewe

Experimental and CFD study on influence of viscosity on layer melt crystallization

In the present work, the influence of solution viscosity on growth kinetics and purification efficiency in layer melt crystallization was investigated. Melt crystallization experiments were conducted for three different types of aqueous sucrose solution as they are ideal solutions and a relatively wide viscosity range can be investigated with a moderate change of freezing points. The aqueous 10 wt%, 23 wt%, and 30 wt% sucrose solutions have a dynamic viscosity value of 2.01 mPas, 4.74 mPas, and 7.21 mPas at their respective freezing points of −0.63 °C, −1.78 °C, and −2.64 °C. The solution temperature distribution was predicted by computational fluid dynamics (CFD) simulations run in COMSOL Multiphysics 5.6 software. Experimental results showed that a higher solution viscosity caused a higher crystal layer impurity and lower crystal yields in static layer melt crystallization. The cooling process of different solutions predicted by a CFD heat transfer study showed that the supersaturation region is wider for less concentrated solutions as cooling proceeds more rapidly. Hence, the temperature gradients obtained follow the boundary layer theory, i.e., the thinner the boundary layer, the faster the heat transfer.Peer reviewe

Physical properties of 7-methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene (mTBD)

7-Methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene (mTBD) has useful catalytic properties and can form an ionic liquid when mixed with an acid. Despite its potential usefulness, no data on its thermodynamic and transport properties is currently available in the literature. Here we present the first reliable public data on the liquid vapor pressure (temperature from 318.23 K to 451.2 K and pressure from 11.1 Pa to 10 000 Pa), liquid compressed density (293.15 K to 473.15 K and 0.092 MPa to 15.788 MPa), liquid isobaric heat capacity (312.48 K to 391.50 K), melting properties, liquid thermal conductivity (299.0 K to 372.9 K), liquid refractive index (293.15 K to 343.15 K), liquid viscosity (290.79 K to 363.00 K), liquid–vapor enthalpy of vaporization (318.23 K to 451.2 K), liquid thermal expansion coefficient (293.15 K to 473.15 K), and liquid isothermal compressibility of mTBD (293.15 K to 473.15). The properties of mTBD were compared with those of other relevant compounds, including 1,5-diazabicyclo(4.3.0)non-5-ene (DBN), 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU), and 1,1,3,3‐tetramethylguanidine (TMG). We used the PC-SAFT equation of state to model the thermodynamic properties of mTBD, DBN, DBU, and TMG. The PC-SAFT parameters were optimized using experimental data

Physical properties of 7-methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene (mTBD)

We measured the physical and thermodynamic properties of 7-methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene (mTBD)