Pure 2-propanol Research Articles

Thermophysical properties: Viscosity, density, and excess properties of 2-propanol and n-Decane mixtures from 283.15 K to 343.15 K under atmospheric conditions

To study the effects of temperature as well as molecular interaction of a fluid system on the thermophysical properties of 2-propanol and n-Decane binary mixture, the density (ρ), dynamic viscosity (η), speed of sound (u), and refractive index (nD) of pure 2-propanol and n-Decane, along with their binary mixtures, were experimentally measured across the entire compositional range at temperatures from 283.15 to 343.15 K and atmospheric pressure. These experimental measurements helped in the evaluation of various thermophysical properties, such as excess molar volume (vE), coefficient of thermal expansion (αE), and isentropic compressibility (κsE). The experimental dynamic viscosity (η) and density (ρ) data were used to evaluate kinematic viscosity (v) and Gibbs free energy (ΔG) of flow with an equation based on Eyring's absolute state theory, and their corresponding excess properties. The excess properties of the binary mixtures were correlated using a Redlich-Kister type polynomial equation via the least-squares regression method, with fitting parameters determined for the binary system. Moreover, the Prigogine–Flory–Patterson theory (PFP) was utilized to identify the primary molecular interactions contributing to the excess molar volume at 293.15, 308.15, and 323.15 K for the binary mixtures. Additionally, the capability of the Eyring-NRTL model was tested to predict the viscosity as well as vapor-liquid equilibrium (VLE) of the binary system, and the correlated model results agreed with literature data.

Study on laminar combustion characteristics and the optimization of the coupling mechanism in a mixture of propanol and gasoline

When both isopropanol and n-propanol are incorporated, the utilization of propanol as a fuel substitute (or a gasoline additive) presents promising potential for enhancing the combustion efficiency and thermal performance in compact, turbocharged, direct-injection gasoline engines upon blending. However, the complexity of the laminar combustion behavior of propanol-blended gasoline has yet to be fully investigated, as current coupling mechanisms are insufficiently sophisticated to precisely mirror the complex experimental conditions.This study establishes a testbed specifically designed for measuring laminar burning velocity (LBV) using the heat flux method. This setup is employed to measure the LBV of pure n-heptane and isooctane, as well as the LBV of the gasoline surrogate fuel TRF with two distinct blend ratios. Additionally, it measures the LBV of propanol and its blends with TRF. The research findings reveal that isooctane demonstrates a heightened sensitivity to fuel preheating temperature, whereas the toluene proportion in TRF fuels exerts the most pronounced influence on combustion behavior. At an equivalence ratio of 1.1, the LBV of n-propanol differs from that of its isomer, isopropanol, by 4.65 cm/s. Notably, the LBV exhibits a discernible upward trend, corresponding to the increasing proportion of toluene in the blended fuel. Furthermore, there is a pronounced distinction in LBV among the propanol isomers, with blended TRF occupying an intermediate position between pure propanol and TRF. After the enhancement of the mechanism based on experimental benchmarks of LBV, a rigorous validation process demonstrated a substantial improvement in the alignment between simulated outcomes and empirical LBV measurements.

Investigation of aqueous alcohol solutions as working fluids in an ultra-thin vapor chamber

ABSTRACT An ultra-thin vapor chamber (1.5 mm thick) has been developed for experimental investigation. Aqueous solutions of propanol exhibiting concentration and thermal Marangoni effects are investigated as potential vapor chamber charge fluids, and their impact on the thermal performance is investigated and compared against pure water and 2-propanol. The vapor chamber thermal resistance and evaporator temperature are lower at low charges with pure 2-propanol and 2.4 M and 4.2 M 2-propanol-water solutions compared to pure water. A 4.2 M propanol-water mixture shows an almost 4.5 X increase in the evaporator heat transfer coefficient compared to pure water.

Selection of Conditions in PVB Polymer Dissolution Process for Laminated Glass Recycling Applications.

Polyvinyl(butyral) (PVB) post-production waste collected from the windshields of end-of-life vehicles and post-consumer building laminated glass are valuable polymeric materials that can be reused. Every year, large amounts of PVB waste are still being buried in landfills owing to a lack of appropriate recycling techniques. Before reuse, PVB should be thoroughly cleaned of solid contaminants such as glass dust, fused heating wires, and other waste polymers, metals, and ceramics. This can be done by polymer dissolution and filtration. In this study, we propose the purification of PVB from contamination by dissolving the post-consumer polymeric materials into single and binary organic solvents. As part of the experimental work, measurements and optimization of the dissolution time of PVB were performed. PVB dissolves faster when a binary solvent (2-propanol + ethyl acetate) than pure 2-propanol is used. From the point of view of the practical application of PVB solutions, measurements of density and dynamic viscosity as a function of PVB concentration and temperature were performed. The PVB solutions obtained in this work can be widely used as glues for glass, ceramics, metal, impregnating, and insulating materials or as paint additives that are entirely transparent for visible light and to block UV rays.

Biological production of 2-propanol from propane using a metabolically engineered type I methanotrophic bacterium

2-Propanol is a widely used industrial solvents. Herein, we employed a unique feature of type I methanotrophic bacterium Methylotuvimicrobium alcaliphilum 20Z possessing only particulate methane monooxygenase (pMMO) for one-step direct production of pure 2-propanol from propane. By maintaining cell growth on glycerol, and after deletion of both Ca2+-dependent and La3+-dependent methanol dehydrogenases, propane was converted to 2-propanol by pMMO. Although most of the 2-propanol produced was further oxidized to acetone, deletion of active alcohol dehydrogenase, concomitant with synchronous overexpression of secondary alcohol dehydrogenase, significantly inhibited such undesirable oxidation. As a result, a remarkable enhancement (263 mg/L) of 2-propanol was achieved for 120 h by increasing cell growth with a supply of 50% (v/v) propane in headspace. This is the first demonstration to develop an engineered methanotrophic strain for the one-step direct production of pure 2-propanol from propane using one-phase cultivation without the supply of chemical inhibitors or additional reducing-power sources.

ON/OFF receptor-like enantioseparation of planar chiral 1,2-ferrocenes on an amylose-based chiral stationary phase: The role played by 2-propanol

A set of nine planar chiral 1,2-ferrocenes was analyzed by high-performance liquid chromatography (HPLC) on the amylose tris(3,5-dimethylphenylcarbamate) chiral stationary phase. The enantioseparations were carried out using neat methanol, ethanol, 1-propanol, and 2- propanol as well as mixtures of n-hexane-2-propanol as mobile phases. The differences in retention times between the second eluted (Rp)-enantiomers and the first eluted (Sp)-enantiomers were significantly influenced by elution modes and the steric hindrance of substituents at the aromatic rings of the ferrocene backbone. It has been demonstrated an ON/OFF switching of receptor-like chiral discrimination through the employment of different alcohols as mobile phases. In particular, the presence of pure 2-propanol triggers exceptional conditions of enantioselectivity that for some ferrocenes result in values of the enantioseparation factor higher than 80.

Effect of flue gas impurities in carbon dioxide from power plants in the synthesis of isopropyl N-phenylcarbamate from CO2, aniline, and 2-propanol using CeO2 and 2-cyanopyridine

Current CO2 utilization technologies generally start with purification of CO2, which requires considerable energy input. Using CO2-containing flue gases as a feedstock in chemical conversions of CO2 can help simplify pre-treatment of CO2 and reduce the carbon footprint of the process, however, study of the effects of other components in the flue gases in chemical reactions using CO2 is limited. Our previous study demonstrated that the combination catalyst system of CeO2 and 2-cyanopyridine was effective for the reaction of pure CO2, aniline, and 2-propanol to afford isopropyl N-phenylcarbamate, which is a promising precursor for polyurethane, in over 90% yield. In this study, the addition effect of other components in CO2-containing flue gases namely N2, O2, SO2 (ppm-order) and NO2 (ppm-order) on the reaction was investigated. The addition of N2 and NO2 had almost no influence on the catalytic performance, however, that of O2 and SO2 had some negative effects. The addition of O2 decreased the selectivity and yield to the target carbamate due to the formation of aniline-derived byproducts such as aniline-coupling products and aniline-oligomers. The increase of the amount of 2-cyanopyridine and 2-propanol was effective for the suppression of the aniline-derived byproducts, providing a similar yield of the isopropyl N-phenylcarbamate to the case without any additives. The catalyst system was strongly poisoned by addition of SO2, and the activity of CeO2 was not recovered even by calcination treatment.

Effects of structurally – related impurities on the crystal growth of curcumin spherulites

The crystal growth of curcumin in pure 2-propanol containing two structurally related impurities, demethoxycurcumin (DMC) and bisdemethoxycurcumin (BDMC), has been investigated by seeded isothermal desupersaturation experiments at 283, 293 and 308 K.

Temperature-dependent structure of 1-propanol/water mixtures: X-ray diffraction experiments and computer simulations at low and high alcohol contents

Aqueous mixtures of 1-propanol have been investigated by high-energy synchrotron X-ray diffraction upon cooling. X-ray weighted total scattering structure factors of 6 mixtures, from 8 mol% to 89 mol% alcohol content, as well as that of pure 1-propanol are reported from room temperature down to the freezing points of the liquids. Molecular dynamics simulations have been performed, in order to interpret measured data. The all atom OPLS-AA potential model was used for 1-propanol, combined with both the SPC/E and the TIP4P/2005 water models: both combinations provide a semi-quantitative description of the measured total structure factors at low and high alcohol contents, while the agreement is qualitative for the mixture with 71 mol% of 1-propanol. From the simulated particle configurations, partial radial distribution functions were calculated. Furthermore, detailed description of the hydrogen bonded network is provided, in terms of hydrogen bond numbers, analysis of proton donor–acceptor ratios, size distributions of hydrogen bonded clusters and ring size statistics. Strong temperature dependence of the percolation threshold, as well as of the participation of the number of doubly hydrogen bonded molecules in cyclic entities, has been found for the mixture with 89 mol% of 1-propanol. Above an alcohol content of 20 mol%, 5-fold rings are the most frequent cyclic entities, with a strong temperature dependence in terms of the number of rings.

Numerical Study of the Micro-Jet Formation in Double Flow Focusing Nozzle Geometry Using Different Water-Alcohol Solutions

The purpose of this work is to determine, based on the computational model, whether a mixture of a binary liquid is capable of producing longer, thinner and faster gas-focused micro-jets, compared to the mono-constituent liquids of its components. Mixtures of water with two different alcohols, water + ethanol and water + 2-propanol, are considered. The numerical study of pre-mixed liquids is performed in the double flow focusing nozzle geometry used in sample delivery in serial femtosecond crystallography experiments. The study reveals that an optimal mixture for maximizing the jet length exists both in a water + ethanol and in a water + 2-propanol system. Additionally, the use of 2-propanol instead of ethanol results in a 34% jet length increase, while the jet diameters and velocities are similar for both mixtures. Pure ethanol and pure 2-propanol are the optimum liquids to achieve the smallest diameter and the fastest jets. However, the overall aim is to find a mixture with the longest, the smallest and the fastest jet. Based on our simulations, it appears that water + 2-propanol mixture might be slightly better than water + ethanol. This study reveals the dominant effect of liquid viscosity on the jet breakup process in a flow focusing nozzles operated under atmospheric conditions.

Determination and correlation of solubility data and dissolution thermodynamic data for 2-acrylamido-2-methyl-1-propane-sulfonic acid in seven pure solvents

The solubility of 2-acrylamido-2-methyl-1-propane sulfonic acid (AMPS) in seven pure solvents, methanol, ethanol, 2-propanol, 1-butanol, isopentanol, acetone, and ethyl acetate, in the temperature range between 283.15 and 328.15 K at atmospheric pressure (101.3 kPa) is reported in this paper. The solubility of 2-acrylamido-2-methyl-1-propane-sulfonic acid increases with temperature in all selected solvents. The van’t Hoff equation, modified Apelblat equation, Wilson model, and λh model were applied to correct the solubility data. The results show that the modified Apelblat equation fits the best, with an average relative deviation of less than 3.70%. The mixing properties, such as Gibbs free energy, enthalpy and entropy of AMPS, were calculated based on the van’t Hoff equation. The dissolution process of AMPS in all solvents selected is endothermic, non-spontaneous and enthalpy-driven.

In-situ changes of thermo-mechanical properties of poly(lactic acid) film immersed in alcohol solutions

Poly (lactic acid) (PLA) has properties suitable for many applications. However, PLA's properties are affected by environmental conditions. In this study, the glass-rubber transition temperatures (Tg) of PLA films were measured during immersion (i.e., in-situ) in pure alcohols and alcohol aqueous solutions using a dynamic mechanical analysis technique. The Tg of PLA decreased when immersed in alcohols. For pure aliphatic alcohols, the Tg reduction became smaller as the number of carbons (C1–C10) in the alcohol main chains increased. The Fox equation and the Hansen solubility parameters (HSP)/Flory-Huggins (FH) model were used to explain the Tg reduction. The relationships explained the interactions between PLA and pure alcohols with small molecules (C1–C8), but bigger pure alcohols (C9–C10) did not fit the prediction. The chemical isomerism in pure propanol (i.e., propan-1-ol and propan-2-ol) did not affect the Tg reduction. The Tg reduction in propan-2-ol aqueous solutions was concentration dependent although the partition coefficients based on the HSP and the FH parameters did not fit this relationship. The in-situ immersion of PLA in alcohol solutions could be used to evaluate the change in Tg from the Tg of dry PLA.

Investigation of the cis-trans structures and isomerization of oligoprolines by using Raman spectroscopy and density functional theory calculations: solute-solvent interactions and effects of terminal positively charged amino acid residues.

Using low-wavenumber Raman spectroscopy in combination with theoretical calculations via solid-state density functional theory (DFT)-D3, we studied the vibrational structures and interaction with solvent of poly-l-proline and the oligoproline P12 series. The P12 series includes P12, the positively charged amino acid residue (arginine and lysine) N-terminus proline oligomers RP11 and KP11, and the C-terminus P11R and P11K. We assigned the spring-type phonon mode to 74–76 cm−1 bands for the PPI and PPII conformers and the carbonyl group ring-opening mode 122 cm−1 in the PPI conformer of poly-l-proline. Amide I and II were assigned based on the results of mode analysis for O, N, and C atom displacements. The broad band feature of the H-bond transverse mode in the Raman spectra indicates that the positively charged proline oligomers PPII form H-bonds with water in the solid phase, whereas P12 is relatively more hydrophobic. In propanol, the PPI conformer of the P12 series forms less H-bond network with the solvent. The PPII conformer exhibits a distinct Raman band at 310 cm−1, whereas the PPI has bands at 365, 660, and 960 cm−1 with reasonable intensity that can be used to quantitatively determine these two conformational forms. The 365 cm−1 mode comprising the motion of a C Created by potrace 1.16, written by Peter Selinger 2001-2019 ]]> O group turning to the helix axis was used to monitor the isomerization reaction PPI ↔ PPII. In pure propanol, RP11 and KP11 were found to have mostly PPI present, but P11R and P11K preferred PPII. After adding 20% water, the PPI in P11R and P11K was completely converted to PPII, whereas a small fraction of PPI remained in RP11 and KP11. The substituted positively charged amino acid affected the balance of the PPI/PPII population ratio.

Density and Viscosity of 2-Butanol + (1-Propanol, 2-Propanol, or 3-Amino-1-propanol) Mixtures at Temperatures of (293.15 to 323.15) K: Application of the ERAS Model

In this work, the density, ρ, and viscosity, η, of pure components 1-propanol, 2-propanol, 3-amino-1-propanol, and 2-butanol along with binary mixtures of {x12-butanol + x21-propanol}, {x12-butanol...

Solubility, Model Correlation, and Solvent Effect of 2-Amino-3-methylbenzoic Acid in 12 Pure Solvents

In this experiment, the research of solution process for 2-amino-3-methylbenzoic acid in different solvents is essential for its purification. The solubility values in pure methanol, ethanol, 1-propanol, 2-propanol, 1-butanol, acetone, acetonitrile, 2-butanone, ethyl acetate, 1,4-dioxane, toluene, and cyclohexane were established with the isothermal saturation method at temperatures T = 278.15 to 318.15 K under pressure of 101.2 kPa. The solubility of 2-amino-3-methylbenzoic acid in mole fraction increased with a rise of temperature. Moreover, at a certain temperature, the order of the solubility data from high to low is 1,4-dioxane > acetone > 2-butanone > ethyl acetate > acetonitrile > methanol > ethanol > 1-propanol > 1-butanol > 2-propanol > toluene > cyclohexane. The modified Apelblat equation, λh equation, Wilson model, and NRTL model were used to correlate the experimental data. The values of root-mean-square deviation (RMSD) and relative average deviation (RAD) were not exceeding 4.51 × 10–4 and 1...

Solid and Solution State Thermodynamics of Polymorphs of Butamben (Butyl 4-Aminobenzoate) in Pure Organic Solvents

The solubility of butamben has been measured gravimetrically in pure methanol, 1-propanol, 2-propanol, 1-butanol, and toluene over the temperature range 268-298 K. Polymorph transition and melting temperatures, associated enthalpy changes, and the heat capacity of the solid forms and the supercooled melt have been measured by differential scanning calorimetry. Based on extrapolated calorimetric data, the Gibbs energy, enthalpy and entropy of fusion, and the activity of solid butamben (the ideal solubility) have been calculated from below ambient temperature up to the melting point. Activity coefficients of butamben at equilibrium in the different solvents have been estimated from solubility data and the activity of the solid, revealing that all investigated systems exhibit positive deviation from Raoult's law. Solubility data are well correlated by a semiempirical regression model. On a mass basis, the solubility is clearly higher in methanol than in the other solvents, but mole fraction solubilities are very similar across all 5 solvents. The 2 known polymorphs are enantiotropically related, and the transition point is located at 283 K. Polymorph interconversions occur within 0.3 K of the transition point even in the solid state, and the 2 forms exhibit strong similarities in investigated properties.

Measurement and Modeling of Solid–Liquid Equilibria of l-Glutamic Acid in Pure Solvents and Aqueous Binary Mixtures

The experimental solubility data of l-glutamic acid in pure water, formic acid, methanol, 1-propanol, 2-propanol, acetonitrile, and binary mixtures (formic acid + water, methanol + water, 2-propanol + water, acetonitrile + water) with different compositions were carried out at temperatures ranging from (283.15 to 328.15) K by the static analytic method. The solubility measurements showed that formic acid and its aqueous mixtures recorded a higher solubility than methanol + water, 2-propanol + water, and acetonitrile + water for the same composition at each temperature. Moreover, except formic acid the addition of methanol, 2-propanol, and acetonitrile to its aqueous mixtures resulted in the decrease in solubility of l-glutamic acid. The experimental data was fitted using different thermodynamic models such as the Buchowski-Ksiazczak equation, the Van't Hoff equation, the modified Apelblat equation, and the NRTL model, and the optimum values of the regressed parameters were obtained. The modified Apelblat equation, Buchowski-Ksiazczak equation, and NRTL activity coefficient model were fitted to the pure solvents solubility data, while the modified Apelblat, modified Apelblat-Jouyban-Acree, and NRTL models were used for the binary solvent systems. The results demonstrated formic acid as a cosolvent in the dissolution of l-glutamic acid in formic acid + water binary mixtures, while others exhibited an antisolvent effect on the solubilization of l-glutamic acid in their respective aqueous mixtures.

A chromatographic study on the exceptional chiral recognition of 2-(benzylsulfinyl)benzamide by an immobilized-type chiral stationary phase based on cellulose tris(3,5-dichlorophenylcarbamate)

In previous studies, Okamoto et al. described the results of the exceptionally large chiral recognition of 2-(benzylsulfinyl)benzamide onto a coated-type chiral stationary phase based on cellulose tris(3,5-dichlorophenylcarbamate). As a continuation and deepening of those studies, here the sulfoxide and a small set of its structural analogues were analyzed on the commercially available Chiralpak IC-3 chiral stationary phase based upon the same polysaccharide derivative as the chiral selector but immobilized onto silica support.The chromatographic results obtained using different mobile phases consisting of pure methanol, ethanol and 2-propanol or binary mixtures n-hexane-2-propanol, which are prohibited with the progenitor coated-type chromatographic support, permitted to identify the NH2 of the amide group as the key structural element of the (S)-enantiomer of 2-(benzylsulfinyl)benzamide for obtaining a very high affinity for the IC-3 chiral stationary phase.

Organic electrolyte solutions: Modeling of deviations from ideality within the binding mean spherical approximation

Deviations from ideality in organic electrolyte solutions are described within the Binding Mean Spherical Approximation (BiMSA) theory, in which ions are regarded as charged hard spheres and unlike ions may associate to form an ion pair. Association is modeled within the Wertheim theory (as done in SAFT-type models). The model includes a mass action law with a thermodynamic association constant. The literature about the thermodynamic properties of this type of solution is reviewed. Besides, it is attempted to gain some insight into the solvation of ions by computing their Stokes hydrodynamic diameters from conductivity experiments, and by employing an original analysis introduced by Fawcett. The BiMSA model is used to represent the osmotic coefficient of 1-1 electrolytes in pure methanol, ethanol, 2-propanol, acetone and acetonitrile. The optimized cation sizes in the solvents are compared with their hydrodynamic diameters. The regressed association constants are compared with literature values derived from conductivity and vapor pressure experiments.

Collagen Fibril Intermolecular Spacing Changes with 2-Propanol: A Mechanism for Tissue Stiffness.

Materials composed primarily of collagen are important as surgical scaffolds and other medical devices and require flexibility. However, the factors that control the suppleness and flexibility of these materials are not well understood. Acellular dermal matrix materials in aqueous mixtures of 2-propanol were studied. Synchrotron-based small-angle X-ray scattering was used to characterize the collagen structure and structural arrangement. Stiffness was measured by bend tests. Bend modulus increased logarithmically with 2-propanol concentration from 0.5 kPa in water to 103 kPa in pure 2-propanol. The intermolecular spacing between tropocollagen molecules decreased from 15.3 to 11.4 Å with increasing 2-propanol concentration while fibril diameter decreased from 57.2 to 37.2 nm. D-spacing initially increased from 63.6 to 64.2 nm at 50% 2-propanol then decreased to 60.3 nm in pure 2-propanol. The decrease in intermolecular spacing and fibril diameter are due to removal of water and the collapse of the hydrogen bond structure between tropocollagen molecules causing closer packing of the molecules within a fibril. We speculate this tighter molecular packing may restrict the sliding of collagen within fibrils, and similar disruption of the extended hydration layer between fibrils may lead to restriction of sliding between fibrils. This mechanism for tissue stiffness may be more general.