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Sample records for 2-propanol

  1. Partial oxidation of 2-propanol on perovskites

    Sumathi, R.; Viswanathan, B.; Varadarajan, T.K. [Indian Inst. of Tech., Madras (India). Dept. of Chemistry

    1998-12-31

    Partial oxidation of 2-propanol was carried out on AB{sub 1-x}B`{sub x}O{sub 3} (A=Ba, B=Pb, Ce, Ti; B`=Bi, Sb and Cu) type perovskite oxides. Acetone was the major product observed on all the catalysts. All the catalysts underwent partial reduction during the reaction depending on the composition of the reactant, nature of the B site cation and the extent of substitution at B site. The catalytic activity has been correlated with the reducibility of the perovskite oxides determined from Temperature Programmed Reduction (TPR) studies. (orig.)

  2. Partial ionisation cross-sections of 2-propanol and ethanal

    Electron impact ionisation of 2-propanol and ethanal is studied using mass spectrometry. Cross-sections of the formation of molecular ions and ionic fragments are measured between 14 and 86eV. Free energy changes are evaluated using ab initio calculations. For 2-propanol, two ions, identified as CH3CHOH+ (45amu) and CH3CHCH3+ (43amu), contribute more than 75% to the total cross-section over the whole range of electron energies and are produced by simple bond cleavage in the molecular ion. Both processes occur spontaneously, leaving the molecular ion as a minority species. For ethanal, two ions, identified as HCO+ (29amu) and CH3CO+ (43amu), and the molecular ion (44amu) contribute more than 80% to the total cross-section. The ions of 29 and 43amu result from a simple bond cleavage in the molecular ion. These sprocesses are not spontaneous and the contribution of the molecular ion becomes predominant at 15eV and is therefore significant over the whole range of ionisation energies

  3. Performance analysis for direct 2-propanol fuel-cell based on Pt containing anode electrocatalysts

    TAPAN, Niyazi Alper; ÖZTÜRK, Ezgi

    2009-01-01

    Direct 2-propanol cell performance based on Pt containing anode electrocatalyst was evaluated. Cell performance, open circuit voltage, maximum current density, and maximum power density were measured at various alcohol concentrations and cell temperatures. 2-propanol fuel cell shows the highest performance at 1 M concentration and 80 °C operating temperature. The highest practical efficiency (at the maximum power density) was found at 2 M 2-propanol concentration and 60 °C operating ...

  4. Effect of γ-irradiation on the catalytic decomposition of 2-propanol

    70 kGy of γ-irradiation enhances the catalytic transformation of 2-propanol into acetone and propylene on transition metal oxides. Fragment products are formed and for TiO2, V2O5 and Fe2O3 the selectivity of 2-propanol decomposition is shifted towards dehydration by the irradiation. Both catalytic and radiocatalytic transformation of 2-propanol correlate with the adsorption capacity of metal oxides, which suggests that irradiation acts mainly on the adsorbed 2-propanol. Possible changes in the catalyst's chemical properties due to the irradiation are discussed. (author)

  5. (3-Aminophenyldiphenylphosphine oxide–2-propanol (1/1

    Jafar Attar Gharamaleki

    2008-03-01

    Full Text Available The title compound, C18H16NOP·C3H8O, was synthesized by the reduction of (3-nitrophenyldiphenylphosphine oxide in the presence of 2-propanol as recrystallization solvent. There are two molecules in the asymmetric unit. Each P atom is tetracoordinated by three C and one O atom from two phenyl fragments, one aniline group and one double-bonded O atom in a distorted tetrahedral geometry. C—H...π and N—H...π interactions are present. In the crystal structure, a wide range of non-covalent interactions consisting of hydrogen bonding [of the types of O—H...O, N—H...O and C—H...O, with D...A distances ranging from 2.680 (3 to 3.478 (3 Å] and π–π [centroid–centroid distance of 3.7720 (15 Å] stacking interactions connect the various components into a supramolecular structure.

  6. Sex differences in the toxicokinetics of inhaled solvent vapors in humans 2. 2-propanol

    The aim of this study was to evaluate possible sex differences in the inhalation toxicokinetics of 2-propanol vapor. Nine women and eight men were exposed on different occasions for 2 h during light physical exercise (50 W) to 2-propanol (350 mg/m3) and to clean air (control exposure). The level corresponds to the Swedish occupational exposure limit. 2-Propanol and its metabolite acetone were monitored up to 24 h after exposure in exhaled air, blood, saliva, and urine by headspace gas chromatography. Body fat and lean body mass were estimated from sex-specific equations using bioelectrical impedance, body weight, height, and age. Genotypes were determined by PCR-based assays for alcohol dehydrogenase and cytochrome P450 2E1 (CYP2E1). The CYP2E1 phenotype was assessed by the 2-h plasma 6-hydroxychlorzoxazone/chlorzoxazone metabolic ratio in vivo. The toxicokinetic profile in blood was analyzed using a one-compartment population model. The following sex differences were significant at the p 0.05 level (Student's t test). The respiratory uptake was lower and the volume of distribution smaller in females. The women had a slightly shorter half-time of 2-propanol in blood and a higher apparent total clearance when corrected for body composition. However, women reached approximately four times higher 2-propanol levels in exhaled air at 10-min postexposure and onward. Acetone in blood was markedly higher in females than in males in the control experiment and slightly higher following exposure to 2-propanol. A marked sex difference was that of a 10-fold higher in vivo blood:breath ratio in men, suggesting sex differences in the lung metabolism of 2-propanol. The most marked sex difference was that of salivary acetone, for which an approximately 100-fold increase was seen in women, but no increase in men, after exposure to 2-propanol compared to clean air. The toxicokinetic analysis revealed no significant differences in toxicokinetics between subjects of different metabolic

  7. Molecular conformation and liquid structure of 2-propanol through neutron diffraction

    A Sahoo; S Sarkar; P S R Krishna; R N Joarder

    2010-05-01

    The neutron diffraction data analysis of deuterated liquid 2-propanol at room temperature to define its molecular conformation is presented. 2-Propanol being a large molecule with twelve atomic sites, the conformation analysis is tricky and an improved method of data analysis is given. The intermolecular structural correlations, i.e., hydrogen-bonded liquid structure, can be modelled accurately to extract the nature of the average hydrogen-bonded molecular association in liquid state at room temperature. Like other alcohols these are mostly hexamer ring chain (HRC) clusters. The cluster analysis of recent X-ray data available in the literature also support the same liquid structure.

  8. Kinetics of the γ-radiation-initiated reaction of 2-propanol with tri- and hexafluoropropylene

    The initiation of telomerization reactions by ionizing radiation provides good opportunities for studying the kinetics of free radical reactions. The fluoroalcohols and their derivatives prepared using fluoroolefins and aliphatic alcohols find wide practical application. The object of this exercise was to study the reactivity of trifluoropropylene and hexafluoropropylene with 2-propanol. The reaction products were analyzed gas chromatographically

  9. Solvation thermodynamics of ammonium iodide ions in 2-propanol and its mixtures with water

    The electrometric method using chains without transfer has been applied to determine total thermodynamic characteristics of ammonium iodide ions salvation in 2-propanol and its mixtures with water at 278.15-308.15 K.Regularities of their changes with temperature and composition of a mixed solvent are considered

  10. Photodissociation dynamics of 1-propanol and 2-propanol at 193.3 nm

    193.3-nm photodissociation dynamics of jet-cooled 1-propanol and 2-propanol and their partially deuterated variants are examined by using the high-n Rydberg-atom time-of-flight technique. Isotope labeling studies show that O-H bond fission is the primary H-atom production channel in the ultraviolet photodissociation of both 1-propanol and 2-propanol. Center-of-mass (c.m.) product translational energy release of the RO-H dissociation channel is large, with T>=0.78 for H+1-propoxy (n-propoxy) and 0.79 for H+2-propoxy (isoproxy). Maximum c.m. translational energy release yields an upper limit of the O-H bond dissociation energy: 433±2 kJ/mol in 1-propanol and 435±2 kJ/mol in 2-propanol. H-atom product angular distribution is anisotropic (with β≅-0.79 for 1-propanol and -0.77 for 2-propanol), suggesting an electronic transition moment perpendicular to the H-O-C plane and a short excited-state dissociation lifetime (less than a rotational period). Information about photodissociation dynamics and bond energies of the partially deuterated propanols are also obtained. The 193.3-nm photodissociation dynamics of 1-propanol and 2-propanol are nearly identical to each other and are similar to those of methanol and ethanol. This indicates a common RO-H dissociation mechanism: after the nO→σ*(O-H)/3s excitation localized on the H-O-C moiety, the H atom is ejected promptly in the H-O-C plane in a time scale shorter than a rotational period of the parent molecule, and it dissociates along the O-H coordinate on the repulsive excited-state potential-energy surface with a large translational energy release

  11. Characterization of the products formed by the reaction of trichlorocyanuric acid with 2-propanol.

    Sandercock, P Mark L; Barnett, Julie S

    2009-11-01

    We report a recent investigation into the death of a cat that was initially thought to involve intentionally burning the animal via the use of an ignitable liquid. The exposure of the animal to flame was ruled out. Instead, forensic investigation revealed the intentional mixing together of a common outdoor swimming pool chlorinator, trichlorocyanuric acid (TCCA), and 2-propanol (aka, isopropyl alcohol or rubbing alcohol). The reaction of these two chemicals resulted in the formation of cyanuric acid residue, hydrochloric acid, and the evolution of a significant volume of chlorine gas. Further alpha-chlorination side reactions also occurred between 2-propanol and TCCA to produce a variety of chlorinated 2-propanone species that were detected on the submitted evidence. The identification of the products of both the main reaction and the side reactions allowed the authors to determine what chemicals were originally mixed together by the culprit. PMID:19818110

  12. Electrooxidation of 2-propanol and 2-butanol on the Pt–Ni alloy nanoparticles in acidic media

    Graphical abstract: Schematic representation of 2-propanol electrooxidation on the Pt–Ni alloy. Highlights: ► Electrocatalytic oxidation of 2-propanol and 2-butanol on the Pt–Ni nanoparticles. ► High stability and reproducibility of the Pt–Ni nanoparticles at the CCE. ► Pt–Ni/CCE as a potent electrocatalyst in the oxidation of alcohols in DAFCs. -- Abstract: The platinum–nickel nanoparticles carbon-ceramic modified electrode (Pt–Ni/CCE) was used as a potent electrocatalyst for the electrooxidation of 2-propanol and 2-butanol in a mixture of 0.15 M 2-propanol (or 0.15 M 2-butanol) and 0.1 M H2SO4 solutions. The Pt–Ni/CCE catalyst shows excellent electrocatalytic activity for electrooxidation of these fuels in comparison with platinum nanoparticles of carbon-ceramic modified (Pt/CCE) and smooth Pt electrodes due to the presence of Ni atoms in the alloy which enhances the electrocatalytic activity of Pt toward the oxidation of 2-propanol and 2-butanol and reduces the amount of Pt in the anodic material of direct 2-propanol and 2-butanol fuel cells. Furthermore, the Pt–Ni/CCE catalyst has satisfactory stability and reproducibility for the electrooxidation of 2-propanol and 2-butanol in acidic media when stored in ambient conditions or when used in constant potential applying (chronoamperometry) and continuous potential cycling (cyclic voltammetry) which makes it more attractive for alcohol-based fuel cell applications

  13. UNIQUAC activity coefficient model for the systems of 1-propanol + water and 2-propanol + water

    Numuang, C.; Kaewsichan, L.

    2005-01-01

    Predictions of vapor liquid equilibria and azeotrope conditions of binary systems of 1-propanol+ water and 2-propanol+water at 30, 60, and 100 kPa were conducted in this work. UNIQUAC activity coefficient and ideal gas models represented behavior of the systems in liquid phase and vapor phase respectively. Experimental data collected from the literature (Gobaldon et al., 1996 and Marzal et al., 1996) were used to calculate energy interaction parameters of the UNIQUAC activity coefficient mode...

  14. Structure Chemical Composition And Reactivity Correlations during the In Situ Oxidation of 2-Propanol

    K Paredis; L Ono; S Mostafa; L Li; Z Zhang; J Yang; L Barrio; A Frenkel; B Roldan Cuenya

    2011-12-31

    Unraveling the complex interaction between catalysts and reactants under operando conditions is a key step toward gaining fundamental insight in catalysis. We report the evolution of the structure and chemical composition of size-selected micellar Pt nanoparticles ({approx}1 nm) supported on nanocrystalline {gamma}-Al{sub 2}O{sub 3} during the catalytic oxidation of 2-propanol using X-ray absorption fine-structure spectroscopy. Platinum oxides were found to be the active species for the partial oxidation of 2-propanol (<140 C), while the complete oxidation (>140 C) is initially catalyzed by oxygen-covered metallic Pt nanoparticles, which were found to regrow a thin surface oxide layer above 200 C. The intermediate reaction regime, where the partial and complete oxidation pathways coexist, is characterized by the decomposition of the Pt oxide species due to the production of reducing intermediates and the blocking of O{sub 2} adsorption sites on the nanoparticle surface. The high catalytic activity and low onset reaction temperature displayed by our small Pt particles for the oxidation of 2-propanol is attributed to the large amount of edge and corner sites available, which facilitate the formation of reactive surface oxides. Our findings highlight the decisive role of the nanoparticle structure and chemical state in oxidation catalytic reactions.

  15. Gas Chromatography Method of Cleaning Validation Process for 2-Propanol Residue Determination in Pharmaceutical Manufacturing Equipment

    Łukasz Czubak

    2014-07-01

    Full Text Available Cleaning validation is an integral operation of good manufacturing practice in pharmaceutical industry. The aim of this study was to validate simple analytical method for detection of 2-propanol residue in equipment, which is likely contaminated with 2-propanol, usually used in the production area. The gas chromatography with flame ionization detection (GC-FID method was validated on a GC system using DB-FFAP capillary column at the flow rate of 4.9 mL/min. The calibration curve was linear over concentration range from 2.8µg/mL to 110.7µg/mL with a correlation coefficient equal to 0.99981. The detection limit (LOD and quantitation limit (LOQ were 1.1µg/mL and 2.8µg/mL, respectively. The simplicity of gas chromatography method makes it useful for routine analysis of 2-propanol residue and is an alternative to corresponding methods.

  16. An investigation into the electro-oxidation of ethanol and 2-propanol for application in direct alcohol fuel cells (DAFCs)

    Sagar Sen Gupta; Jayati Datta

    2005-07-01

    A comparative study of the electro-oxidation of ethanol and 2-propanol was carried out on carbon-supported platinum particles. Cyclic voltammetry, steady state polarisation, and electrochemical impedance spectroscopy were used to investigate the oxidation reactions. A difference in the mechanistic behaviour of the oxidation of ethanol and 2-propanol on Pt was observed, thereby highlighting the fact that the molecular structure of the alcohol has great influence on its electroreactivity. The study emphasizes the fact that 2-propanol is a promising fuel candidate for a direct alcohol fuel cell.

  17. APPLICATION OF RESPONSE SURFACE METHOD ON PURIFICATION OF GLUCOMANNAN FROM AMORPHOPHALLUS ONCOPHYLLUS BY USING 2-PROPANOL

    DYAH H. WARDHANI

    2016-04-01

    Full Text Available Glucomannan purification methods affect the properties of mannan and have influence to the scope of glucomannan applications. Combination between ethanol solution and thermal treatment is commonly method applied to purify glucomannan obtained from Amorphophallus sp. However, 2-propanol was reported to be more effective in removing glucomannan impurities including the starch and the carotenes. The objective of this research was to study the effect of 2-propanol concentration, temperature and time as well as their interaction on purification of glucomannan obtained from Amorphophallus oncophyllus by using response surface methods. The relevant parameters (glucomannan content, starch content, degree of whiteness, yield were investigated in order to establish mathematical model. The results showed that the linear models were reliable to predict the responses (R2 ≥ 0.926. Temperature was a significant variable for the all responses. This purification method improved the absorbance of the functional groups at ~2900 cm-1 of stretching of C-H vibration and ~1730 cm-1 of acetyl group which is responsible on glucomannan solubility. However, this method reduced the absorbance of the functional groups at ~1650, ~1070, ~1020 and 900 - 800 cm-1 of absorbed water or protein, C-O alcohol and -glucosidic and -mannosidic linkages, respectively. The morphology observation revealed that this purification method achieves separation and removal of impurities which encapsulated the glucomannan and subsequently released the glucomannan granules. The highest content of glucomannan obtained in this study was 72.30 % when 90 % 2-propanol at 75 °C for 180 min was used for purification.

  18. UNIQUAC activity coefficient model for the systems of 1-propanol + water and 2-propanol + water

    Numuang, C.

    2005-12-01

    Full Text Available Predictions of vapor liquid equilibria and azeotrope conditions of binary systems of 1-propanol+ water and 2-propanol+water at 30, 60, and 100 kPa were conducted in this work. UNIQUAC activity coefficient and ideal gas models represented behavior of the systems in liquid phase and vapor phase respectively. Experimental data collected from the literature (Gobaldon et al., 1996 and Marzal et al., 1996 were used to calculate energy interaction parameters of the UNIQUAC activity coefficient model by non-linear regression method. The obtained parameters were not dependent on temperature and mole fraction; however, those parameters were dependent on pressure of the system. The mean absolute error of vapor mole fraction of alcohol and water were in the range 3.86-4.65% and 2.33-3.28% respectively for the binary system of 1-propanol +water. The mean absolute error of vapor mole fraction of alcohol and water were in the range 1.93-2.06% and 1.47-1.94% respectively for the binary system of 2-propanol+water. The thermodynamics consistency test proved that the UNIQUAC activity coefficient model was satisfied very well with Gibbs- Duhem equation.

  19. Formation of 2-propanol in condensed molecular films of acetaldehyde following electron impact ionisation-induced proton transfer*

    Borrmann, Tobias; Swiderek, Petra

    2016-06-01

    Experimental studies on thin condensed layers of acetaldehyde have previously revealed that electron exposure at an energy above the ionisation threshold leads to formation of 2-propanol. However, the mechanism of this reaction remained unclear. Therefore, a computational approach is used to explore the electron-induced reactions of acetaldehyde yielding 2-propanol. Starting from hydrogen-bonded dimers of acetaldehyde we show that the initial ionisation event triggers proton transfer between the two acetaldehyde moieties resulting in a hydrogen-bonded complex of a [OCCH3] radical and a protonated acetaldehyde cation. Given an excess energy of up to 0.75 eV and a favourable arrangement, a methyl radical released upon dissociation of the CC bond within the [OCCH3] radical can migrate to the carbonyl carbon of the protonated acetaldehyde cation. This produces a 2-propanol radical cation and CO. Neutral 2-propanol is then obtained by recombination with a second electron. A mechanism involving ionisation-driven proton transfer is thus proposed as pathway to the formation of 2-propanol during electron exposure of condensed layers of acetaldehyde.

  20. The buffering-out effect and phase separation in aqueous solutions of EPPS buffer with 1-propanol, 2-propanol, or 2-methyl-2-propanol at T = 298.15 K

    Highlights: ► Buffering-out is a new liquid–liquid phase separation containing biological buffer. ► EPPS buffer-induced phase separation of aqueous solutions of aliphatic alcohols. ► Phase diagrams of EPPS + water + 1-propanol/2-propanol/2-methyl-2-propanol are studied. ► EPPS breaks the 1-propanol + water and 2-methyl-2-propanol + water azeotropes. ► The (liquid + liquid) equilibria can be well correlated by the NRTL model. - Abstract: Buffering-out is a new liquid–liquid phase separation phenomenon observed in mixtures containing a buffer as a mass separating agent. The (liquid + liquid) equilibrium (LLE) and (solid + liquid + liquid) equilibrium (SLLE) data were measured for the ternary systems {3-[4-(2-hydroxyethyl)piperazin-1-yl]propanesulfonic acid (EPPS) buffer + 1-propanol, 2-propanol, or 2-methyl-2-propanol + water} at T = 298.15 K under atmospheric pressure. The phase boundary data were fitted to an empirical equation relating to the concentrations of organic solvent and buffer. The effective excluded volume (EEV) values of EPPS were obtained from the phase boundary data. The phase-separation abilities of the investigated aliphatic alcohols were discussed. The reliability of the experimental tie-lines was satisfactorily confirmed by the Othmer–Tobias correlation. The experimental tie-lines data for the ternary systems have been correlated using the NRTL activity coefficient model. The separation of these aliphatic alcohols from their azeotropic aqueous mixtures is of particular interest to industrial process. The addition of the EPPS as an auxiliary agent breaks the (1-propanol + water) and (2-methyl-2-propanol + water) azeotropes. The possibility of using the new phase separation systems in the extraction process is demonstrated by using different dyestuffs.

  1. Crystallization of 2-propanol studied by neutron diffraction and dielectric spectroscopy in real-time

    The crystallization of 2-propanol was investigated in order to monitor the change of the molecular dynamics with increasing crystallinity by means of real-time dielectric spectroscopy and neutron-diffraction experiments. Both experiments were performed during isothermal crystallization at 135.5 K, above the glass-transition temperature (Tg=115 K). In the dielectric spectrum was observed a moderate shift of the peak of the α-relaxation and a broadening of the spectrum. The crystallization at that temperature is explained with a simple model of the transformed volume fraction based on steady-state homogeneous nucleation of crystallites which grow at a constant rate. Although no direct information about the morphology of the sample is available, the indirect measurements by means of neutron diffraction indicate a three-dimensional crystal growth. (orig.)

  2. Solid-liquid interface of a 2-propanol-perfluoromethylcyclohexane mixture: From adsorption to wetting

    The liquid-solid interface between a silicon substrate and the binary mixture perfluoromethylcyclohexane (PFMC) and 2-propanol (IP) is examined by x-ray specular reflectivity and diffuse scattering under grazing angles. The wetting films between the PFMC-rich phase and the substrate are characterized with respect to the density profile and lateral fluctuations. We find that the liquid-liquid interface of the film is anomalously broadened as compared to capillary wave theory. This broadening is caused by a locally slow variation of the density between the liquid phases and marks an adsorption profile that does not reflect the bulk properties of the film phase. Essentially the same behavior is present for a fused silica substrate

  3. Adsorption of 2-propanol on MgO surface: A combined experimental and theoretical study

    Fuente, Silvia A.; Ferretti, Cristián A.; Domancich, Nicolás F.; Díez, Verónica K.; Apesteguía, Carlos R.; Di Cosimo, J. Isabel; Ferullo, Ricardo M.; Castellani, Norberto J.

    2015-02-01

    The adsorption of 2-propanol (or isopropanol) on MgO was studied using infrared (IR) spectroscopy and density functional theory (DFT) simulations. The analysis of IR spectra indicates that the molecule can adsorb either molecularly or dissociatively. DFT calculations show that the adsorption mode depends on the active site of the catalyst. While on perfect terrace it adsorbs non-dissociatively, on edge and on threefold coordinated O anion (O-corner sites) the adsorption occurs dissociatively by breaking the Osbnd H bond without activation barrier giving 2-propoxide and a surface hydroxyl group. Calculations also suggest that vacant oxygen centers on terrace, edge and corner are also possible sites for non-dissociative adsorption. On Mg ions located at corners the adsorption is strong but non-dissociative, while on a Mg vacancy at the same position the molecule easily dissociates. Frequency modes are also calculated and compared in detail with experimental IR spectra.

  4. Isopropylation of benzene with 2-propanol over substituted large pore aluminophosphate-based molecular sieves

    K Joseph Antony Raj; V R Vijayaraghavan

    2004-03-01

    Large pore aluminophosphate-based molecular sieves like AlPO4-5, MAPO-5, MnAPO-5 and ZAPO-5 were synthesised hydrothermally using triethylamine as a structure directing agent. These materials were characterised by X-ray diffraction (XRD), 27Al and 31P MAS-NMR, ICP-MS, -butylamine- TPD, BET and SEM. The catalytic performance of these materials was tested for isopropylation of benzene with 2-propanol at 250, 300, 350 and 400°C. The products were cumene, -DIPB (-diisopropylbenzene) and -DIPB (-diisopropylbenzene). MnAPO-5 was found to be more active than the other catalysts. Maximum conversion (20%) was noted at 350°C over MnAPO-5. The selectivity to DIPB was found to decrease with time on stream but the selectivity to cumene showed an increase after 3 h of time on stream.

  5. Vapour pressures and vapour-liquid equilibria of propyl acetate and isobutyl acetate with ethanol or 2-propanol at 0.15 MPa. Binary systems

    Susial Pedro

    2012-01-01

    Full Text Available Vapour pressures of propyl acetate, isobutyl acetate and 2-propanol from 0.004 to 1.6 MPa absolute pressure and VLE data for the binary systems propyl acetate+ethanol, propyl acetate+2-propanol, isobutyl acetate+ethanol and isobutyl acetate+2-propanol at 0.15 MPa have been determined. The experimental VLE data were verified with the test of van Ness and the Fredenslund criterion. The propyl acetate+ethanol or +2-propanol binary systems have an azeotropic point at 0.15 MPa. The different versions of the UNIFAC and ASOG group contribution models were applied.

  6. Study on Salt-Containing Extractive Distillation for the 2-Propanol/Water System

    Fu Jiquan

    2008-01-01

    The salt-containing extractive distillation column and the salt-containing agent recovery column for the 2-propanol/water/ethanediol/KAc system were simulated by the NRTL model and the modified Rose Relaxation method. The simulation results showed that prediction of the salt effect in vapor-liquid equilib-rium and the correlation method (TDCM) of NRTL parameters were suitable for the said system. Four different distillation technology processes were investigated; the results showed that the salt-containing extractive distillation process was the best one. The simulating design of the extractive distillation column was performed under the conditions of different total stage number, feeding location, reflux ratio, amount of mixed agent and concentration of KAc. The results showed that such factors as 17 stages, a feeding location at the 9th stage, a reflux ratio of 1.2, and a mixed agent feeding rate of 1.141 kmol/h, might be the best suited operating conditions. The simulating design was also done for the column for recovering the salt-containing agent. The simulation method of the salt-containing extractive distillation is simple and effective in this work.

  7. Sub- and supercritical liquefaction of rice straw in the presence of ethanol-water and 2-propanol-water mixture

    The critical liquefaction of rice straw to bio-oil with sub- and supercritical mixtures (ethanol-water and 2-propanol-water mixture) was studied in a 1000 ml autoclave at 533-623 K, 6-18 MPa, respectively. The results showed that the maximum yield of bio-oil was 39.7% for the 2-propanol:water volume ratio of 5:5 at 573 K, while the higher heating value (HHV) of bio-oil increased with the reaction temperature and solvent volume ratio. The formation of low-boiling-point materials was reduced by a mixture. Using a mixture could inhibit the formation of residue and then promote the conversion of rice straw with the ratio of 1:9-5:5. The bio-oil was analyzed by GC/MS and Elemental Analyzer, while the morphological changes of residue were observed by a scanning electron microscope (SEM)

  8. Effect of ionic liquids on (vapor + liquid) equilibrium behavior of (water + 2-methyl-2-propanol)

    Isobaric T, x, y data were reported for ternary systems of {water + 2-methyl-2-propanol (tert-butyl alcohol, TBA) + ionic liquid (IL)} at p = 100 kPa. When the mole fraction of TBA on IL-free basis was fixed at 0.95, measurements were performed at IL mass fractions from 0.6 down to 0.05, in a way of repeated synthesis. The vapor-phase compositions were obtained by analytical methods and the liquid-phase compositions were calculated with the aid of mass balances. Activity coefficients of water and TBA were obtained without the need of a thermodynamic model of the liquid-phase. Six ILs, composed of an anion chosen from [OAc]- or [Cl]-, and a cation from [emim]+, or [bmim]+, or [hmim]+, were studied. Relative volatility and activity coefficients were presented in relation with the IL mole fraction, showing the effect of the ILs on a molar basis. The effect of the ILs on relative volatility of TBA to water was depicted by the effect of anions and cations on, respectively, the activity coefficients of water and TBA. The results indicated that, among the six ILs studied, [emim][Cl] has the most significant effect on enhancement of the relative volatility, which reaches a value of 7.2 at an IL mass fraction of 0.58. Another IL, [emim][OAc], has also significant effect, with an appreciable value of 5.2 for the relative volatility when the IL mass fraction is 0.6. Considering the relatively low viscosity and melting point of [emim][OAc], it might be a favorable candidate as solvent for the separation of water and TBA by extractive distillation. Simultaneous correlation by the NRTL model was presented for both systems of (water + ethanol + IL) and (water + TBA + IL), using consistent binary parameters for water and IL

  9. Conductometric studies of dissociation constants of benzoic acid in water and 2-propanol mixtures at different temperatures

    The molar conductance of dilute solutions of benzoic acid in binary mixtures of water and 2-propanol has been measured at temperatures ranging from 298.15 K to 313.15 K. The experimental data were analyzed by means of the Fuoss-Kraus equation (1933) for the derivation of the thermodynamic dissociation constants and limiting molar conductance. The results were compared with those available in literature pertaining to analogue media. (author)

  10. Inhibition of alcohol dehydrogenase after 2-propanol exposure in different geographic races of Drosophila mojavensis: lack of evidence for selection at the Adh-2 locus.

    Pfeiler, Edward; Reed, Laura K; Markow, Therese A

    2005-03-15

    High frequencies of the fast allele of alcohol dehydrogenase-2 (Adh-2F) are found in populations of Drosophila mojavensis that inhabit the Baja California peninsula (race BII) whereas the slow allele (Adh-2S) predominates at most other localities within the species' geographic range. Race BII flies utilize necrotic tissue of pitaya agria cactus (Stenocereus gummosus) which contains high levels of 2-propanol, whereas flies from most other localities utilize different cactus hosts in which 2-propanol levels are low. To test if 2-propanol acts as a selective force on Adh-2 genotype, or whether some other yet undetermined genetic factor is responsible, mature males of D. mojavensis lines derived from the Grand Canyon (race A) and Santa Catalina Island (race C), each with individuals homozygous for Adh-2F and Adh-2S, were exposed to 2-propanol for 24 h and ADH-2 specific activity was then determined on each genotype. Flies from five other localities homozygous for either the fast or slow allele also were examined. Results for all reported races of D. mojavensis were obtained. 2-propanol exposure inhibited ADH-2 specific activity in both genotypes from all localities, but inhibition was significantly less in two populations of race BII flies homozygous for Adh-2F. When F/F and S/S genotypes in flies from the same locality were compared, both genotypes showed high 2-propanol inhibition that was not statistically different, indicating that the F/F genotype alone does not provide a benefit against the inhibitory effects of 2-propanol. ADH-1 activity in female ovaries was inhibited less by 2-propanol than ADH-2. These results do not support the hypothesis that 2-propanol acts as a selective factor favoring the Adh-2F allele. PMID:15726639

  11. Oxidation of 2-propanol ligands during collision-induced dissociation of a gas-phase uranyl complex

    van Stipdonk, Michael J.; Chien, Winnie; Anbalagan, Victor; Gresham, Garold L.; Groenewold, Gary S.

    2004-10-01

    We demonstrate, by way of multi-stage tandem mass spectrometry and extensive deuterium labeling, that 2-propanol is converted to acetone, and 2-propoxide to acetaldehyde, when monopositive 2-propanol-coordinated uranyl-ligand cations are subjected to collision-induced dissociation in the gas-phase environment of an ion trap mass spectrometer. A species with formula [(UO2OCH(CH3)2)(HOCH(CH3)2)]+, derived from dissociation of the gas-phase precursor [(UO2NO3)(HOCH(CH3)2)3]+ eliminates two H atoms and CH3 in consecutive stages to generate a monopositive complex composed of the U(V) species UO2+ coordinated by acetone and acetaldehyde, i.e. [UO2+(OC(CH3)2)(OC(H)CH3)]. Dissociation of this latter ion resulted in elimination of the two coordinating carbonyl ligands in two consecutive dissociation stages to leave UO2+. Analogous reactions were not observed for uranyl complexes containing 1-propanol or 2-methyl-2-propanol, or for cationic complexes with divalent metals such as Ni2+, Co2+, Pb2+ and Ca2+. One explanation for these reactions is bond insertion by the metal center in the bis-ligated uranyl complex, which would be expected to have an LUMO consisting of unoccupied 6d-orbitals that would confer transition metal-like behavior on the complex.

  12. Studies on Dechlorination of DDT with Alkaline 2-propanol and Iron-Nickel (Fe-Ni) Catalyst.

    Shareef, A.; Zaman, S. U.

    2009-05-01

    The Persistent Organic Pollutants (POPs) pesticides were previously extensively used in the cotton production and other agricultural activities in Pakistan and at least three thousand metric tons of obsolete pesticides have been stored under extreme hazardous conditions in more than thousand sites. Locally banned or severely restricted pesticides are easily available and DDT is continuously illegally imported and use in our country. Elimination of organochlorine pesticides (OCPs) waste has received considerable attention over the past two decades. Existing catalytic hydrodechlorinated techniques for disposing of OCPs are very costly due to the use of noble metals as catalysts. The aim of our study is to develop the cost effective and efficient method for the safe disposal of OCPs. This study is in continuation work on dechlorination of organochlorine pesticides with Fe-Ni catalyst in alkaline 2-propanol media. We turned our attention to the development of DDT disposal method for the third world countries. Herein, we report our first finding that in alkaline 2-propanol with Fe-Ni catalyst is an effective method for dechlorination of DDT. Catalytic dechlorination of DDT was carried out in an alkaline solution of NaOH and 2-propanol in the presence of catalyst at the temperature below 82 oC and end products were analyzed by using Gas Chromatography (GC-ECD) and Ion Chromatography (IC) techniques. Results obtained with initial concentration of DDT ranging between 10-100 μg/ml showed conversion of DDT to chlorine free product within 4 hrs.

  13. The electro-oxidation of the mixture of formaldehyde and 2-propanol on gold (100) and (111) single crystal planes in alkaline medium

    BRANISLAV Z. NIKOLIC; MILKA L. AVRAMOV-IVIC; TANJA R. VIDAKOVIC

    2000-01-01

    The effect of formaldehyde on the oxidation of 2-propanol and vice versa on gold single crystal planes (100 and 111) was studied. An activating effect in the reaction of the simultaneous oxidation of 2-propanol and formaldehyde was obtained on a gold (100) plane. In the case of a gold (111) electrode, the activation effect was not obtained. It was concluded that the adsorption of formaldehyde on the electrode surface prevents the adsorption of poisoning species formed during the electro-oxida...

  14. Role of mitogen-activated protein kinases and nuclear factor-kappa B in 1,3-dichloro-2-propanol-induced hepatic injury

    Lee, In-Chul; Lee, Sang-Min; Ko, Je-Won; Park, Sung-Hyeuk; Shin, In-Sik; Moon, Changjong; Kim, Sung-Ho; Kim, Jong-Choon

    2016-01-01

    In this study, the potential hepatotoxicity of 1,3-dichloro-2-propanol and its hepatotoxic mechanisms in rats was investigated. The test chemical was administered orally to male rats at 0, 27.5, 55, and 110 mg/kg body weight. 1,3-Dichloro-2-propanol administration caused acute hepatotoxicity, as evidenced by an increase in serum aminotransferases, total cholesterol, and total bilirubin levels and a decrease in serum glucose concentration in a dose-dependent manner with corresponding histopath...

  15. Electrochemical oxidation of 2-propanol over platinum and palladium electrodes in alkaline media studied by in situ attenuated total reflection infrared spectroscopy.

    Okanishi, Takeou; Katayama, Yu; Ito, Ryota; Muroyama, Hiroki; Matsui, Toshiaki; Eguchi, Koichi

    2016-04-21

    The electrochemical oxidation of 2-propanol over Pt and Pd electrodes was evaluated in alkaline media. Linear sweep voltammograms (LSVs), chronoamperograms (CAs), and simultaneous time-resolved attenuated total reflection infrared (ATR-IR) spectra of both electrodes were obtained in a 0.25 M KOH solution containing 1 M 2-propanol. The onset potential of 2-propanol oxidation for Pt was lower than that for Pd in LSVs while the degree of performance degradation observed for Pd was significantly smaller than that observed for Pt in CAs. The main product of 2-propanol oxidation was acetone over both electrodes and, over Pt only, acetone produced was catalytically oxidized to the enolate ion, which was accumulated on the Pt surface, leading to significant performance degradation. Carbon dioxide and carbonate species (CO3(2-), HCO3(-)) were not observed during 2-propanol oxidation over both electrodes, indicating that the complete oxidation of 2-propanol to CO2 will be a minor reaction. PMID:27009749

  16. Adsorption and dehydrogenation of 2-propanol on the surface of γ-Al2O3-supported gold

    Martinez-Ramirez, Z.; Gonzalez-Calderon, J. A.; Almendarez-Camarillo, A.; Fierro-Gonzalez, J. C.

    2012-08-01

    The adsorption and reactions of 2-propanol on γ-Al2O3 and γ-Al2O3-supported gold samples were investigated by infrared (IR) spectroscopy, modulated differential scanning calorimetry (MDSC) and mass spectrometry. Adsorption of the alcohol on the samples at room temperature led to formation of molecularly adsorbed 2-propanol and 2-propoxide species bonded to Al3+ sites. Treatment of γ-Al2O3 after alcohol adsorption in flowing He from 25 to 300 °C led to 2-propanol desorption, without evidence of surface reactions. In contrast, when supported gold samples were exposed to the same thermal treatment, formation of acetone and H2 was observed by mass spectra of the effluent gases from the flow reactor. Concomitantly, IR spectra of the samples showed the appearance of a band at 1698 cm- 1, assigned to νCO vibrations of adsorbed acetone. The formation of acetone occurred by the dehydrogenation of 2-propoxide species bonded to Al3+ sites, as evidenced by (a) the decrease in the intensities of their IR bands and (b) the presence of a MDSC peak at approximately the same temperature as that at which acetone was formed and the 2-propoxide species were consumed. It is proposed that gold particles on the γ-Al2O3 surface facilitate breaking of the β-Csbnd H bond of neighboring surface 2-propoxide species to give acetone. Our results emphasize the bifunctional character of supported gold catalysts for the dehydrogenation of alcohols.

  17. Molecular interactions in binary mixtures of 1-butoxy-2-propanol with alcohols at different temperatures: A thermophysical and spectroscopic approach

    Highlights: • Binary mixtures of 1-butoxy-2-propanol with alcohols have been studied at different temperatures. • Strong H-bonding interactions between the components are confirmed that decreases with increasing chain length of alcohols. • Thermophysical and FT-IR spectroscopic studies strongly corroborate the experimental and computational analysis results. - Abstract: This paper reports densities (ρ) and speeds of sound (u) of 1-butoxy-2-propanol CH3(CH2)3OC3H6OH, 1-propanol CH3(CH2)2OH, 2-propanol (CH3)2CHOH, 1-butanol CH3(CH2)3OH and 2-butanol CH3CH2CH(OH)CH3 and their binary mixtures with 1-butoxy-2-propanol as a common component, measured at T = (293.15, 298.15, 303.15, 308.15 and 313.15) K over the entire composition range. These experimental values of density and speed of sound were used to calculate the values of excess molar volumes, VmE, deviations in molar isentropic compressibility Δκs and deviations in speed of sound uD. Further, experimental densities were used to estimate apparent molar volumes Vϕ,i, partial molar volumes V‾m,1, excess partial molar volumes V‾m,1E and their limiting values at infinite dilution Vϕ,i∞, V‾m,i∞ and V‾m,iE,∞ respectively. The variations observed in these properties, with composition and temperature, are discussed in terms of molecular interactions due to physical and chemical effects between the unlike molecules of the binary mixtures. These properties, especially excess functions, are found to be quite sensitive towards the intermolecular interactions in liquid mixtures. These excess functions and deviations have also been correlated using Redlich–Kister type polynomial equation by the method of least-squares for the estimation of the binary coefficients and the standard errors. FT-IR studies of these mixtures are also reported

  18. Volumetric Properties of Dilute Aqueous Solutions of 1- and 2-propanol to 50 MPa and 373.15 K

    Seitz, J.; Bahramian, J.; Blackwell, R.; Inaki, T.; York, D.; Schulte, M. D.

    2014-12-01

    The need to accurately model and understand reactions among organic compounds and biomolecules in solution is necessary to develop realistic chemical models for the reactions leading to the emergence of life and metabolic processes of extremophiles under elevated temperature and pressure conditions. Unfortunately, the scarcity of experimentally determined volumetric (and other) properties for important compounds at high temperatures and pressures leads to uncertainty in the calculation of reaction properties. Experimentally determined volumetric properties of aqueous solutions at non-standard conditions provide direct tests of current estimation methods and aid in the refinement of these methods. The goal of our research is to provide a database of experimentally determined volumetric properties. In previous studies, we have examined important organic molecules and biomolecules such as adenosine, coenzyme M and D-ribose. In this study, we investigate the volumetric properties of the structural isomers 1- and 2-propanol. 1-propanol (n-propanol) is a primary alcohol (CH3CH2CH2OH) and 2-propanol (isopropanol) is the simplest example of a secondary alcohol (CH3CHOHCH3). These compounds differ slightly in structure depending on to which carbon atom the hydroxyl group is bonded and will provide a sensitive test of current estimation methods and lead to more accurate predictions of the properties of complex aqueous systems at elevated temperatures and pressures. We obtained the densities of aqueous solutions of the alchohols using an Anton Paar DMA HP vibrating tube densimeter. Pressure was measured (pressure transducer) to an accuracy of ±0.01% and temperature was measured (integrated platinum thermometer) with an accuracy of ±0.05 K. Experimental uncertainty of density measurements is less than ±0.0001 g·cm-3. The partial molar volumes at infinite dilution (V∞) for 1- and 2-propanol were calculated from the measured densities and are shown in the figure at 0

  19. Isotopic labeling as a tool to establish intramolecular vibrational coupling: The reaction of 2-propanol on Mo(110)

    The reactions of 2-propanol on Mo(110) were investigated using temperature programmed reaction, high resolution electron energy loss, and x-ray photoelectron spectroscopies. 2-Propanol forms 2-propoxide upon adsorption at 120 K on Mo(110). The 2-propoxide intermediate deoxygenates via selective γ C--H bond scission to eliminate propene as well as C--O bond hydrogenolysis to form trace amounts of propane. The C--O bond of 2-propoxide is estimated to be nearly perpendicular to the surface. Selective isotopic labeling was used to establish the coupling between the C--O stretch and modes associated with the hydrocarbon framework. The degree of coupling was strongly affected by bonding to the surface, primarily due to weakening of the C--O bond when 2-propoxide is bound to Mo(110). Selective isotopic labeling was, therefore, essential in making vibrational assignments and in identifying key reaction steps. Only a small kinetic isotope effect was observed during reaction of (CD3)(CH3)CHOH, consistent with a substantial component of C--O bond breaking in the transition state for propene elimination. Coupling of the C--O stretch to motion of the methyl group is also suggested to be important in the transition state for propene elimination

  20. Pulse radiolysis of porphyrin and ferriporphyrin solutions in 2-propanol-carbon tetrachloride systems. Protonation and ligand exchange kinetics

    Pulse radiolysis of aqueous and nonaqueous 2-propanol-acetone-carbon tetrachloride mixtures has been investigated by means of conductivity measurements and spectrophotometry. In these solvent mixtures, a pulse of hydrochloric acid originating from either primary events of solvent radiolysis or from further reactions of carbon tetrachloride with radicals derived from 2-propanol and acetone, is produced within ca 100 nanoseconds. Further production of hydrochloric acid occurs as a result of chain reactions involving hydrogen abstraction by CCl3 or CCl3O2 radicals. These latter radicals appear to be much more reactive and are likely to be involved in the reaction unless the solutions have been thoroughly deoxygenated. Protonation Reactions of porphyrins and ferriporphyrins, which do not react rapidly with the above radicals, were followed by means of spectrophotometric measurements. In turn, these reactions may be used to monitor hydrochloric acid formation. Spectrophotometric measurements on porphyrins corroborate conductivity results, although a quantitative comparison is not feasible because of differences in solvent properties. 6 figures

  1. Isotopic labeling as a tool to establish intramolecular vibrational coupling: The reaction of 2-propanol on Mo(110)

    Uvdal, P.; Wiegand, B.C.; Serafin, J.G.; Friend, C.M. (Department of Chemistry, Harvard University, Cambridge, Massachusetts 02138 (United States))

    1992-12-01

    The reactions of 2-propanol on Mo(110) were investigated using temperature programmed reaction, high resolution electron energy loss, and x-ray photoelectron spectroscopies. 2-Propanol forms 2-propoxide upon adsorption at 120 K on Mo(110). The 2-propoxide intermediate deoxygenates via selective {gamma} C--H bond scission to eliminate propene as well as C--O bond hydrogenolysis to form trace amounts of propane. The C--O bond of 2-propoxide is estimated to be nearly perpendicular to the surface. Selective isotopic labeling was used to establish the coupling between the C--O stretch and modes associated with the hydrocarbon framework. The degree of coupling was strongly affected by bonding to the surface, primarily due to weakening of the C--O bond when 2-propoxide is bound to Mo(110). Selective isotopic labeling was, therefore, essential in making vibrational assignments and in identifying key reaction steps. Only a small kinetic isotope effect was observed during reaction of (CD{sub 3})(CH{sub 3})CHOH, consistent with a substantial component of C--O bond breaking in the transition state for propene elimination. Coupling of the C--O stretch to motion of the methyl group is also suggested to be important in the transition state for propene elimination.

  2. Catalytic properties of pure and K+-doped Cu O/Mg O system towards 2-propanol conversion

    Cu O/Mg O system having different compositions was prepared by impregnation method followed by calcination at 400-900 C. The effect of Cu O content, calcination temperature and doping with small amounts of K+ species (1-3 mol %) on physicochemical, surface and catalytic properties of the system were investigated using X-ray diffraction, adsorption of N2 at - 196 C, and conversion of isopropyl alcohol at 150-400 C using a flow technique. The results revealed that the solids having the formulae 0.2 and 0.3 Cu O/Mg O calcined at 400 C consisted of nano sized Mg O and Cu O as major phases together with Cu2O as minor phase. The Bet-surface areas of different absorbents are decreased by increasing Cu O content, calcination temperature and K+-doping. Mg O-support material showed very small catalytic activity in 2-propanol conversion. The investigated system behaved as selective catalyst for dehydrogenation of 2-propanol with selectivity >80%. The catalytic activity increased by increasing Cu O content and decreased by increasing the calcination temperature within 400-900 C. K+-doping increased the catalytic activity and catalytic durability. (Author)

  3. Catalytic properties of pure and K{sup +}-doped Cu O/Mg O system towards 2-propanol conversion

    El-Molla, S. A.; Amin, N. H.; Hammed, M. N.; Sultan, S. N. [Ain Shams University, Faculty of Education, Chemistry Department, Roxy, Heliopolis, Cairo 11757 (Egypt); El-Shobaky, G. A., E-mail: saharelmolla@yahoo.com [National Research Center, Dokki, Cairo (Egypt)

    2013-08-01

    Cu O/Mg O system having different compositions was prepared by impregnation method followed by calcination at 400-900 C. The effect of Cu O content, calcination temperature and doping with small amounts of K{sup +} species (1-3 mol %) on physicochemical, surface and catalytic properties of the system were investigated using X-ray diffraction, adsorption of N{sub 2} at - 196 C, and conversion of isopropyl alcohol at 150-400 C using a flow technique. The results revealed that the solids having the formulae 0.2 and 0.3 Cu O/Mg O calcined at 400 C consisted of nano sized Mg O and Cu O as major phases together with Cu{sub 2}O as minor phase. The Bet-surface areas of different absorbents are decreased by increasing Cu O content, calcination temperature and K{sup +}-doping. Mg O-support material showed very small catalytic activity in 2-propanol conversion. The investigated system behaved as selective catalyst for dehydrogenation of 2-propanol with selectivity >80%. The catalytic activity increased by increasing Cu O content and decreased by increasing the calcination temperature within 400-900 C. K{sup +}-doping increased the catalytic activity and catalytic durability. (Author)

  4. Volumetric properties of ternary (IL + 2-propanol or 1-butanol or 2-butanol + ethyl acetate) systems and binary (IL + 2-propanol or 1-butanol or 2-butanol) and (1-butanol or 2-butanol + ethyl acetate) systems

    Highlights: ► Experimental densities were determined at T = (298.15, 303.15, and 313.15) K. ► IL: methyl trioctylammonium bis(trifluoromethylsulfonyl)imide was used. ► Virial Based Mixing Rule correlation of the binary excess molar volume data. ► Binary excess molar volume was both negative and positive. ► Ternary excess molar volume data was correlated with the Cibulka equation. - Abstract: The experimental densities for the binary or ternary systems were determined at T = (298.15, 303.15, and 313.15) K. The ionic liquid methyl trioctylammonium bis(trifluoromethylsulfonyl)imide ([MOA]+[Tf2N]−) was used for three of the five binary systems studied. The binary systems were ([MOA]+[Tf2N]− + 2-propanol or 1-butanol or 2-butanol) and (1-butanol or 2-butanol + ethyl acetate). The ternary systems were {methyl trioctylammonium bis(trifluoromethylsulfonyl)imide + 2-propanol or 1-butanol or 2-butanol + ethyl acetate}. The binary and ternary excess molar volumes for the above systems were calculated from the experimental density values for each temperature. The Redlich–Kister smoothing polynomial was fitted to the binary excess molar volume data. Virial-Based Mixing Rules were used to correlate the binary excess molar volume data. The binary excess molar volume results showed both negative and positive values over the entire composition range for all the temperatures. The ternary excess molar volume data were successfully correlated with the Cibulka equation using the Redlich–Kister binary parameters.

  5. Equilibrium solubility of CO2 in aqueous solutions of 1-amino-2-propanol as function of concentration, temperature, and pressure

    Research highlights: → Gas solubility of CO2 in aqueous solutions of 1-amino-2-propanol was measured. → Solubility increases as pressure and concentration of 1-amino-2-propanol increase. → The Kent-Eisenberg model was used to correlate all the experimental results. → Aqueous solutions of MIPA are an excellent alternative to use in gas purification. - Abstract: Using a dynamic method with recirculation of the vapour phase, experimental values for the gas solubility of carbon dioxide in aqueous solutions of 1-amino-2-propanol (MIPA) were measured at T = (313.15 and 393.15) K, over the pressure range of (0.2 to 2436.4) kPa. The concentrations of the studied aqueous MIPA solutions were (0.20, 0.30, 0.40, and 0.50) mass fraction. The results of gas solubility are given as the partial pressure of CO2, pCO2, against its mole ratio, αCO2 (mol CO2 · mol-1 MIPA), and its mole fraction, xCO2. It is observed that the solubility of CO2 increases as the concentration of MIPA in solution increases, at a given temperature throughout the pressure range considered; also the solubility values increase, under constant temperature, as the pressure increases in the studied concentration range of MIPA. The physicochemical model of Kent and Eisenberg was used to correlate simultaneously all the experimental results of the solubility of CO2 in the studied aqueous solutions of MIPA. The model correlates satisfactorily the experimental results. The deviation for pressure was 96.9 kPa using 62 experimental solubility points. The solubility results of carbon dioxide presented in this work are compared with those reported in the literature for aqueous solutions of monoethanolamine (MEA), diethanolamine (DEA), diisopropanolamine (DIPA), and N-methyldiethanolamine (MDEA) and it is possible to conclude that the aqueous solutions of MIPA are an excellent alternative to use in gas purification processes, since the magnitude of the solubility results of MIPA solutions was found to be

  6. The electro-oxidation of the mixture of formaldehyde and 2-propanol on gold (100 and (111 single crystal planes in alkaline medium

    BRANISLAV Z. NIKOLIC

    2000-12-01

    Full Text Available The effect of formaldehyde on the oxidation of 2-propanol and vice versa on gold single crystal planes (100 and 111 was studied. An activating effect in the reaction of the simultaneous oxidation of 2-propanol and formaldehyde was obtained on a gold (100 plane. In the case of a gold (111 electrode, the activation effect was not obtained. It was concluded that the adsorption of formaldehyde on the electrode surface prevents the adsorption of poisoning species formed during the electro-oxidation of 2-propanol on the Au(100 plane, while this is not the case on the Au(111 plane. The different behaviour is caused by the difference in the symmetry of the surface atoms of these two Au single-crystal planes.

  7. (Liquid + liquid) equilibrium of (water + 2-propanol + 1-butanol + salt) systems at T = 313.15 K and T = 353.15 K: Experimental data and correlation

    Pereira, Milton A.P. [School of Chemical Engineering, State University of Campinas, P.O. Box 6066, 13081-970 Campinas-SP (Brazil); Aznar, Martin [School of Chemical Engineering, State University of Campinas, P.O. Box 6066, 13081-970 Campinas-SP (Brazil)]. E-mail: maznar@feq.unicamp.br

    2006-06-15

    (Liquid + liquid) equilibrium data for the quaternary systems (water + 2-propanol + 1-butanol + potassium bromide) and (water + 2-propanol + 1-butanol + magnesium chloride) were measured at T = 313.15 K and T = 353.15 K. The overall salt concentrations were 5 and 10 mass percent. Ternary (liquid + liquid) equilibrium data for the salt-free system (water + 2-propanol + 1-butanol) were also determined and found to be in good agreement with data from the literature. The NRTL model for the activity coefficient was used to correlate the data. New interaction parameters were estimated, using the Simplex minimization method and a concentration-based objective function. The results are very satisfactory, with root mean square deviations between experimental and calculated compositions of both phases being less than 0.5%.

  8. Experimental and modeling investigations of solubility and saturated liquid densities and viscosities for binary systems (methane +, ethane +, and carbon dioxide + 2-propanol)

    Highlights: • Solubilities of CH4, C2H6, and CO2 in 2-propanol and saturated density and viscosity. • Solubility of C2H6 in 2-propanol is higher than CH4 and CO2. • Dissolution of CO2 increases liquid density and reduces liquid viscosity. • Liquid density and viscosity reduces with dissolution of CH4 and C2H6. • Solubilities and saturated liquid densities were predicted with SRK and PR EOS. -- Abstract: Solubilities of methane, ethane, and carbon dioxide in 2-propanol have been measured at the temperatures (303 and 323) K and at the pressures up to 6 MPa using an in-house designed PVT apparatus. The saturated liquid properties, density and viscosity, were also measured in each experiment. Prior to the phase equilibrium measurements, the density and viscosity of pure 2-propanol were measured at the temperatures (303 and 323) K over the pressure range (0.1 to 10) MPa. The dissolution of carbon dioxide in 2-propanol caused a decline in the viscosity of saturated liquid phase while an increase in the density of gas-expanded liquid was observed. The viscosity-pressure trends for methane- and ethane-saturated liquid viscosities were similar to carbon dioxide, but the saturated liquid densities decreased with the dissolution of methane and ethane in 2-propanol. Solubility increased with pressure and decreased with temperature for all compressed gases (methane, ethane and carbon dioxide). The experimental data were well correlated using Soave–Redlich–Kwong and Peng–Robinson equations of state. The solubilities and saturated liquid densities were well represented with both equations of state, and there is no superior equation of state for the modeling of the phase compositions and saturated liquid densities

  9. Removal of 2-propanol from water by pervaporation using poly(vinylidene fluoride) membrane filled with carbon black

    Sardarabadi, Hamideh; Mousavi, Seyed Mahmoud; Saljoughi, Ehsan

    2016-04-01

    In the present study, several filled poly(vinylidene fluoride) (PVDF) membranes by the addition of various weight fractions from carbon black (CB) to the casting solution were prepared for the removal of 2-propanol from aqueous solution in pervaporation process. Scanning electron microscopy (SEM), differential scanning calorimetry (DSC), X-ray diffraction (XRD), contact angle and swelling degree measurements were used to study morphology and properties of the prepared membranes. Separation experiments were carried out at a feed temperature of 45 °C and a permeate pressure of 18 mmHg. The results demonstrated that the addition of carbon black filler resulted in formation of the membranes with denser structure; lower permeation flux and degree of swelling; and higher crystallinity, separation factor, contact angle, and pervaporation separation index.

  10. Effect of temperature and 2-propanol-acetone composition on enthalpy and entropy of solvation of ions Σ(Na+, I-)

    Summary enthalpy and entropy of ion solvation Σ(Na+, I-) in the 2-propanol - acetone system in the whole interval of mixed solvent compositions at 278.15 up to 318.15 K are determined on the basis of EMF measurements of chains without transfer

  11. Supplementary vapor pressure data of the glycol ethers, 1-methoxy-2-propanol, and 2-methoxyethanol at a pressure range of (15 to 177) kPa

    Highlights: ► Vapor pressure of 2-methoxyethanol and 1-methoxy-2-propanol were measured. ► Complementary data are reported at ranges of (342 to 417) K and (15 to 177) kPa. ► Three commonly used vapor pressure equations were fitted to experimental data. ► The parameters of Antoine and Wagner type equations were estimated. ► The relative deviations (rmsd) from the three vapor pressure equations were <0.4%. - Abstract: The vapor pressure of pure 1-methoxy-2-propanol and 2-methoxyethanol, commonly used as co-solvents in inks, paints, coatings, organic/water solutions among many other applications, were measured with a dynamic recirculation apparatus at a pressure range of (15 to 177) kPa. The measurements were performed at temperature ranges of (342 to 412) K for 1-methoxy-2-propanol and (346 to 417) K for 2-methoxyethanol. The maximum likelihood method was used to estimate the parameters of the Antoine equation, the parameters of an extended Antoine equation and the Wagner equation were determined by non linear least squares method. The three models showed root mean square deviations (rmsd) of 0.39%, 0.38%, and 0.29%, and 0.37%, 0.33%, and 0.32%, for 1-methoxy-2-propanol and 2-methoxyethanol, respectively. Additionally, the experimental data and correlation were compared with those available in the literature.

  12. Effect of temperature and the composition of the water-2-propanol solvent on thermodynamic characteristics of solvation of ion Σ (Na+, I-)

    Measurements of electromotive force of chains without transport were used to determine the summary standard Gibbs energies, enthalpies and entropies of ion (Na+, I-) solvation in water-2-propanol system in all range of mixed solvent compositions at temperatures from 278.15 up to 318.15 K

  13. Photocatalytic Oxidation of Low-Level Airborne 2-Propanol and Trichloroethylene over Titania Irradiated with Bulb-Type Light-Emitting Diodes

    Wan-Kuen Jo

    2013-01-01

    Full Text Available This study examined the photocatalytic oxidation of gas-phase trichloroethylene (TCE and 2-propanol, at indoor levels, over titanium dioxide (TiO2 irradiated with light-emitting diodes (LED under different operational conditions. TiO2 powder baked at 450 °C exhibited the highest photocatalytic decomposition efficiency (PDE for TCE, while all photocatalysts baked at different temperatures showed similar PDEs for 2-propanol. The average PDEs of TCE over a three hour period were four, four, five, and 51% for TiO2 powders baked at 150, 250, 350, and 450 °C, respectively. The average PDEs of 2-propanol were 95, 97, 98, and 96% for TiO2 powders baked at 150, 250, 350, and 450 °C, respectively. The ratio of anatase at 2θ = 25.2° to rutile at 2θ = 27.4° was lowest for the TiO2 powder baked at 450 °C. Although the LED-irradiated TiO2 system revealed lower PDEs of TCE and 2-propanol when compared to those of the eight watt, black-light lamp-irradiated TiO2 system, the results for the PDEs normalized to the energy consumption were reversed. Other operational parameters, such as relative humidity, input concentrations, flow rate, and feeding type were also found to influence the photocatalytic performance of the UV LED-irradiated TiO2 system when applied to the cleaning of TCE and 2-propanol at indoor air levels.

  14. A Fundamental Equation of State for 2-propanol (C3H8O) in the Extended Equation of State Format

    An innovative method for the regression of a fundamental equation of state of a pure fluid was recently proposed. This technique, called an extended equation of state, adopts a framework similar to the extended corresponding states method but uses a cubic equation for the target fluid instead of the equation of state for the reference fluid, and shape functions are expressed through a multilayer feedforward neural network. The use of a neural network assures very high flexibility of the functional forms to be regressed, allowing the resulting model to represent the thermodynamic properties of a pure fluid with an accuracy comparable to that attained by state-of-the-art multiparameter equations of state. The technique is applied here to 2-propanol to derive a dedicated equation of state in a heuristic mode directly from the available experimental data. The majority of the data cover the range of temperatures from 280 to 600 K and pressures up to 50 MPa; this is also the validity range of the developed equation. For the present case, primarily due to the unfavorable situation of the data, all of the available thermodynamic properties have been used for the regression procedure in order to get the expected accuracy. The model has been validated with data for coexistence states, density, isobaric and isochoric heat capacities, and speed of sound. The obtained results are satisfactory because the proposed equation of state represents the available data within their mean experimental uncertainties.

  15. Calorimetric investigations of hydrogen bonding in binary mixtures containing pyridine and its methyl-substituted derivatives. II. The dilute solutions of methanol and 2-methyl-2-propanol

    Enthalpies of solution of methanol and 2-methyl-2-propanol (tert-butanol) in pyridine and its methyl derivatives were investigated in the range of mole fractions of alcohol x≤0.02 at temperature 298.15 K by a titration calorimeter. Dissolution of methanol is an exothermic process, with heat effects very close to those for water reported in part I of this study. The negative enthalpy of solution increases in the following order: pyridine < 3-methylpyridine < 4-methylpyridine < 2-methylpyridine < 2,6-dimethylpyridine < 2,4,6-trimethylpyridine. Positive enthalpies of solution of 2-methyl-2-propanol increase as follows: 2-methylpyridine < 2,4,6-trimethylpyridine < 4-methylpyridine < 2,6-dimethylpyridine < 3-methylpyridine < pyridine. The propensity of pyridine derivatives to hydrogen bonding is enhanced by the ortho effect. Methyl groups are probably too small to prevent the nitrogen atom in the pyridine ring from hydrogen bonding. However, spacious hydrocarbon group in 2-methyl-2-propanol molecule makes the bonding difficult for 2,6-dimethylpyridine and 2,4,6-trimethylpyridine, thus the number of O-H···N bonds is smaller than that in the solutions of methanol or water. The two latter seem to be very close to each other

  16. Densities, viscosities, refractive indices, and surface tensions for binary and ternary mixtures of 2-propanol, tetrahydropyran, and 2,2,4-trimethylpentane

    Densities, viscosities, refractive indices, and surface tensions of the ternary system (2-propanol + tetrahydropyran + 2,2,4-trimethylpentane) at T = 303.15 K and its constituent binary systems (2-propanol + tetrahydropyran, 2-propanol + 2,2,4-trimethylpentane, and tetrahydropyran + 2,2,4-trimethylpentane) at T = (293.15, 303.15, 313.15, and 323.15) K were measured at atmospheric pressure. Densities were determined using a vibrating-tube densimeter. Viscosities were measured with an automatic microviscometer based on the rolling-ball principle. Refractive indexes were measured using a digital Abbe-type refractometer. Surface tensions were determined by the Wilhelmy-plate method. From these data, excess molar volumes, deviations in viscosity, deviations in refractive index, and deviations in surface tension were calculated. The results for the binary and ternary systems were fitted to the Redlich-Kister equation and the variable-degree polynomials in terms of compositions, respectively. The experimental and calculated quantities are used to study the nature of mixing behaviour between mixture components.

  17. Excess isentropic compressibility and speed of sound of the ternary mixture 2-propanol + diethyl ether + n-hexane and the constituent binary mixtures at 298.15 K

    Gokhan Sovaroglu; Ertunc Aral

    2006-02-01

    Speed of sound and densities of the ternary mixture 2-propanol + diethyl ether + n-hexane and also the binary mixtures 2-propanol + diethyl ether and 2-propanol + n-hexane have been measured at the entire composition range at 298.15 K. The excess isentropic compressibilities and the excess speed of the sound have been calculated from experimental densities and speed of sound. These excess properties of the binary mixtures were fitted to Redlich-Kister equation, while the Cibulka's equation was used to fit the values related to the values to the ternary system. These excess properties have been used to discuss the presence of significant interactions between the component molecules in the binary mixtures and also the ternary mixtures. Speed of sound of the binary mixtures and the ternary mixture have been compared with calculated values from free length theory (FLT), collision factor theory (CFT), Nomoto's relation (NR), Van Deal's ideal mixing relation (IMR) and Junjie's relation (JR). The results are used to compare the relative merits of these theories and relations in terms of the root mean square deviation relative (RMSDr).

  18. LIQUID-LIQUID EQUILIBRIA FOR MIXTURES OF WATER,DECANE and 1-ETHOXY-2-PROPANOL%1-乙氧基-2-丙醇/水/癸烷的液液平衡

    陈瑶; 李任强; 田村和弘

    2003-01-01

    Experimental data of ternary liquid-liquid equilibria for mixtures of 1-ethoxy-2-propanol, water and decane were measured at 298.15K.Extended UNIQUAC model was empolyed to correlate those data. The extended UNIQUAC model successfully represented the thermodynamic properties for the ternary system of 1-ethoxy-2-propanol, water and decane. These experimental results are useful for designing the separation and extraction process.

  19. Studies of mixing properties of binary systems of 2-propanol with hexadecane and squalane at T = (298.15, 303.15, and 308.15) K

    The present paper reports the experimental data for density, ρ, viscosity, η, and speeds of sound, u for the binary mixtures of 2-propanol, (CH3)2CHOH with hexadecane, C16H34 over the miscibility region (0 1 30H62 over the miscibility region (0 1 mE, viscosity deviations, Δη, excess molar isentropic compressibility, KS,mE, and deviations in speed of sound, uD, from their ideal values uid. These excess parameters and deviations are used to interpret the molecular interactions in these binary mixtures

  20. Liquid density of oxygenated additive 2-propanol at pressures up to 140 MPa and from 293.15 K to 403.15 K

    Highlights: ► New density data for 2-propanol are reported. ► The pressure and temperature intervals are 0.1–140 MPa and 293.15–403.15 K. ► 175 measured data points were fitted to a Tait-like equation. ► Experimental data points have been compared to Cibulka’s correlation. ► The isobaric expansivity and the isothermal compressibility have been derived. - Abstract: This work reports new density data (175 points) of 2-propanol at 12 temperatures between 293.15 and 403.15 K (every 10 K), and 15 pressures from 0.1 to 140 MPa (every 10 MPa). An Anton Paar vibrating tube densimeter, calibrated with an uncertainty of ±0.5 kg·m−3 was used to perform these measurements. The experimental density data were fitted with the Tait-like equation with low standard deviations. In addition, the isobaric thermal expansivity and the isothermal compressibility have been derived from the Tait-like equation.

  1. Ternary liquid-liquid equilibria of dimethyl carbonate + 2-propanol + water system at 303.15 and 313.15 K

    Ginting, Rizqy Romadhona; Mustain, Asalil; Tetrisyanda, Rizki; Gunardi, Ignatius; Wibawa, Gede

    2015-12-01

    In this work, liquid-liquid equilibria data of dimethyl carbonate (DMC) + 2-propanol + water system were accurately determined at 303.15 and 313.15 K using stirred and jacketed equilibrium cell under atmospheric pressure. The reliabilities of the experimental data were confirmed using Bachman-Brown correlation giving r-squared value of 0.9993 and 0.9983 at 303.15 and 313.15 K, respectively. Experimental data obtained in this work exhibit Treybal's Type I ternary phase behavior. The selectivity and distribution coefficient of DMC increases with addition of DMC concentration in the organic phase. On the other hand, the effect of temperature to phase boundary was found to be not significant. The data were correlated well using the Non-Random Two Liquid (NRTL) and Universal Quasi-Chemical (UNIQUAC) activity coefficient models with root-mean-square deviation of 1.5% and 1.3%, respectively.

  2. Metal-template Condensation of 1,3-Diamino-2-propanol and Formaldehyde: Synthesis, Crystal Structure, and Magnetic Properties of a New Dinuclear Copper(II) Complex

    Polynuclear transition metal complexes with relatively strong intramolecular metal-metal interactions have received considerable attention because of their interesting chemical properties and/or potential applications in various fields, such as supramolecular chemistry, catalysts for organic reactions, and materials chemistry.1-11 Especially, dinuclear copper(II) complexes are known to be useful systems for the study of long-distance metal-metal interactions, since the metal ion has only one unpaired electron. 3-11 This work shows that a new μ-alkoxo-μ-acetato-bridged dinuclear copper(II) complex, 1, can be prepared by the one-pot reaction of 1,3-diamino-2-propanol and formaldehyde in the presence of Cu(OAc)2·H2O. Each mononuclear unit has N2O3-donor donor set and exhibits distorted square-pyramidal coordination geometry with an apical hydroxo group. Interestingly, the complex shows relatively strong ferromagnetic coupling.

  3. Enhanced photocatalytic degradation of 2-propanol over macroporous GaN/ZnO solid solution prepared by a novel sol-gel method

    Macroporous GaN/ZnO solid solution photocatalyst is synthesized through a novel sol-gel method under mild conditions. The performance of as-synthesized solid solution photocatalyst is evaluated for decomposition of gaseous 2-propanol (IPA). It is found that due to enhancement in both the adsorption to gaseous IPA and the absorbance to visible light, the porous GaN/ZnO solid solution exhibits a good photocatalytic performance for IPA decomposition. Moreover, the mechanism for photocatalytic degradation IPA over porous GaN/ZnO solid solution is also investigated in comparison with those for the two end materials ZnO and GaN. The trapping effects with different scavengers prove that both the photoexcited electrons and holes affect the IPA photodegradation process, simultaneously

  4. Isothermal (vapour + liquid) equilibrium for binary mixtures of polyethylene glycol mono-4-nonylphenyl ether (PEGNPE) with methanol, ethanol, or 2-propanol

    Highlights: → An autoclave apparatus was used for binary (vapour + liquid) equilibrium data measurement. → The studied systems are polyethylene glycol mono-4-nonylphenyl ether with alcohols. → The saturated pressure data were fitted accurately to the Antoine equation. → The NRTL model correlated well the phase equilibrium data. → The solvent activities have been calculated. - Abstract: Saturated pressures of three binary systems of oligomeric polyethylene glycol mono-4-nonylphenyl ether (PEGNPE) with methanol, ethanol, and 2-propanol have been measured by using an autoclave (vapour + liquid) equilibrium (VLE) apparatus at temperatures ranging from (340 to 455) K and the oligomer content ranging from 0.100 to 0.400 in mole fraction. With a given feed composition, equilibrium pressures were measured at various temperatures to obtain VLE data. The experimental data were fitted to the Antoine equation and also correlated with activity coefficient models, the NRTL and the UNIQUAC. The correlation results showed good agreement between the calculated values and the experimental data. In general, the NRTL model yielded better results. Additionally, the solvent activities were evaluated from the experimental results and were compared with those from the NRTL and the UNIQUAC models.

  5. Solvent structure effects on solvated electron reactions in mixed solvents: negative ions in 1-propanol-water and 2-propanol-water

    In models of the kinetics of chemical reactions in solution the solvent is commonly assumed to be a uniform continuum. An example is the Smoluchowski-Debye-Stokes-Einstein equation for the rate constant k2 of a bimolecular reaction between charged or polar species: k2 κRTfrr/1.5ηrd where κ = probability that a reactant encounter pair will react, R = gas constant, T = temperature, f = Coulombic interaction factor, rr = effective radius for reaction, η = solvent viscosity, and rd = effective radius for mutual diffusion. The equation is useful in evaluating effects of bulk-fluid properties on reaction rates. Residual effects are attributed to more specific solvent behaviour. Rate constants and activation energies E2 of reactions of solvated electrons es- with NO3- and CrOr2- ions vary with the composition of 1-propanol-water and 2-propanol-water mixed solvents. Plots of k2η/fT against solvent composition are nonlinear and change with solvent pair and with reactant pair. Measured molar conductivities Λ0(Li+, NO3-) and Λ0(2Li+, CrO42-) indicate the solvent dependence of rd for the mutual diffusion of Li+ and NO3- or CrO42-. The liquid structure influences both the rate of diffusion of the reactants and the probability of reaction of a reactant encounter pair. (author)

  6. Measurement and modeling of densities and sound velocities of the systems [poly(propylene glycol)+methanol, +ethanol, +1-propanol, +2-propanol and +1-butanol] at T=298.15K

    Experiments have been performed at T=298.15K to measure the density and sound velocity of the systems [poly(propylene glycol)+methanol, +ethanol, +1-propanol, 2-propanol and +1-butanol] over the whole range of composition. From these measurements, values of the excess molar volume (Vmex) and excess molar isentropic compression, Ks,mex, equal to -(-bar Vmex/-bar p)s were calculated. The excess molar volume for all of these systems were found to be negative and decreases in magnitude as size of alcohol increases, except for 2-propanol solutions for which the magnitude of the excess volume is higher than that of 1-butanol solutions. Expressions for VmexandKs,mex of polymer solutions were obtained for the model of Flory-Huggins and the polymer non-random two liquid (NRTL) model. These expressions were used to fit the experimental VmexandKs,mex data of the investigated systems

  7. Thermal studies on oxidation-reduction of LnCu2 intermetallic compounds and their catalytic behavior for 2-propanol decomposition

    High temperature oxidation-reduction studies were undertaken on binary intermetallic compounds LnCu2 (Ln = La, Ce, Pr, Nd, Eu, Gd, Dy, Tm, Yb). A two steps cycle was optimized by O2-TG and H2-TG or H2-TPR studies along the lanthanide series. The oxidation mass uptake occurs over a wide range of temperature (200-900 deg. C), leading to two bimetallic copper-lanthanide oxides families according to the lanthanide: 3CuO.Ln2CuO4 (Ln = La, Pr, Nd, Eu, Gd) and 2CuO.Ln2Cu2O5 (Ln = Dy, Tm, Yb), except for CeCu2 that gives 2CuO.CeO2. Under hydrogen, all systems exhibit two reduction steps accompanied by mass losses in the 150-600 deg. C temperature range. The first mass loss is linked to the reduction of CuO, whereas the second mass loss corresponds to copper reduction in the Ln2CuO4 or Ln2Cu2O5 phase with concomitant formation of Ln2O3. The reduction products were characterized by XRD and different stoichiometries were obtained according to the lanthanide: 2Cu/CeO2, 3Cu/Ln2CuO4 or 2Cu/Ln2Cu2O5, after the first reduction step, and 4Cu/Ln2O3 after the second reduction one. Therefore, the binary intermetallic compounds LnCu2 decompose into a copper-rare earth oxide phase that after reduction leaves their surface highly enriched on the copper. The structure of the oxidized and reduced intermetallics can best be described as copper embedded in lanthanide oxides (Ln2O3) or 'type supported catalysts' and exhibited activity for the 2-propanol oxidative dehydrogenation-dehydration reaction, which was also used to characterize their acid-base properties.

  8. Preparation of promoted platinum catalysts of designed geometry and the role of promoters in the liquid-phase oxidation of 1-methoxy-2-propanol

    Mallat, T.; Bodnar, Z.; Baiker, A. (Swiss Federal Institute of Technology, Zuerich (Switzerland)); Greis, O.; Struebig, H. (Technical Univ., Hamburg (Germany)); Reller, A. (Univ. of Hamburg (Germany))

    1993-07-01

    Alumina-supported or unsupported M/Pt-type catalysts were prepared by consecutive reduction of Bi, Pb, Sn, Ru, Au, or Ag modifiers (M) onto Pt particles. Structural and chemical properties of the bimetallics were studied by electron microscopy combined with energy dispersive X-ray analysis and an electrochemical (cyclic voltammetric) polarization method. Preferential deposition of promoter metal submonolayers on Pt was observed at moderate surface coverages ([theta][sub M]<0.5-0.8). Some bulk metal crystallite formation as [open quotes]bridges[close quotes] between small Pt particles covered partially with promoter was also observed on alumina-supported Bi/Pt and Pb/Pt catalysts. Measurement of the electrochemical potential of the catalyst slurry during the oxidation of 1-methoxy-2-propanol to methoxyacetone and the cyclic voltammetric polarization of the bimetallic catalysts revealed that the catalysts are in an oxidized state during reaction. The following order of promoting influence was observed: Bi > Pb [approximately] Sn > Au [approximately] Ru. Two major effects of promoters are suggested: (i) they suppress the initial irreversible adsorption of the reactant alcohol on Pt which results in self-poisoning, and (ii) they form new active centers that adsorb the oxidizing species (OH) better than Pt. A formal rate equation is suggested (r = f [center dot] [theta][sub org] [center dot] [theta][sub OH]) which explains the optimum in promoter/platinum ratio. The different influences of the promoters are explained by their hydrogen and oxygen sorption characteristics and by the surface geometry of the bimetallic catalysts. 51 refs., 12 figs., 1 tab.

  9. Partial molar volumes of organic solutes in water. XII. Methanol(aq), ethanol(aq), 1-propanol(aq), and 2-propanol(aq) at T = (298 to 573) K and at pressures up to 30 MPa

    Density data for dilute aqueous solutions of methanol, ethanol, 1-propanol, and 2-propanol are presented together with partial molar volumes at infinite dilution calculated from the experimental data. The measurements were performed at from T = (298.15 up to 573.15) K and at pressure close to the saturated vapor pressure of water, at p = 30 MPa and at pressure between these limits. The data were obtained using a high-temperature high-pressure flow vibrating-tube densimeter

  10. Excess molar enthalpies of ethylformate and (1-propanol, 2-propanol, 1-butanol, 2-butanol, and 1-pentanol) at T=(298.15 and 308.15)K and p=(5 and 10)MPa

    A high-pressure flow-mixing isothermal microcalorimeter is used to determine the excess molar enthalpies of five binary systems for ethylformate and (1-propanol, 2-propanol, 1-butanol, 2-butanol, and 1-pentanol) at T=(298.15 and 308.15) K and p=(5 and 10)MPa. The smooth values calculated by Redlich-Kister equation of HmE are also compared with the experimental results

  11. Densities and speeds of sound for binary mixtures of (1,3-dioxolane or 1,4-dioxane) with (2-methyl-1-propanol or 2-methyl-2-propanol) at the temperatures (298.15 and 313.15) K

    This paper reports densities and speeds of sound for the binary mixtures of (1,3-dioxolane or 1,4-dioxane) with (2-methyl-1-propanol or 2-methyl-2-propanol) at the temperatures (298.15 and 313.15) K. Excess volumes and excess isentropic compressibility coefficients have been calculated from experimental data and fitted by means of a Redlich-Kister type equation. The ERAS model has been used to calculate the excess volumes of the four systems at both temperatures

  12. Determination and modelling of osmotic coefficients and vapour pressures of binary systems 1- and 2-propanol with CnMimNTf2 ionic liquids (n = 2, 3, and 4) at T = 323.15 K

    Highlights: → Osmotic coefficients of 1- and 2-propanol with CnMimNTf2 (n = 2, 3, and 4) are determined. → Experimental data were correlated with extended Pitzer model of Archer and MNRTL. → Mean molal activity coefficients and excess Gibbs free energies were calculated. → Effect of the anion is studied comparing these results with literature. - Abstract: The osmotic and activity coefficients and vapour pressures of binary mixtures containing 1-propanol, or 2-propanol and imidazolium-based ionic liquids with bis(trifluoromethylsulfonyl)imide as anion (1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, C2MimNTf2, 1-methyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide, C3MimNTf2, and 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, C4MimNTf2) were determined at T = 323.15 K using the vapour pressure osmometry technique. The experimental osmotic coefficients were correlated using the extended Pitzer model modified by Archer and the MNRTL model, obtaining standard deviations lower than 0.033 and 0.064, respectively. The mean molal activity coefficients and the excess Gibbs free energy for the mixtures studied were calculated from the parameters of the extended Pitzer model modified by Archer. Besides the effect of the alkyl-chain of the cation, the effect of the anion can be assessed comparing the experimental results with those previously obtained for imidazolium ionic liquids with sulphate anions.

  13. Determination of Acetophenone and 2-Phenyl-2-propanol Release in EVA Material%EVA材料中苯乙酮和2-苯基-2-丙醇释放量的测定

    陈皖芳; 穆江华; 钱明伟

    2011-01-01

    本方法采用顶空GC-MS测定EVA材料中的苯乙酮和2-苯基-2-丙醇的释放量。方法检测限为5 mg/kg,EVA材料中的平均加标回收率为90.0%~105%。方法简捷、快速、准确,适用于EVA材料中苯乙酮和2-苯基-2-丙醇释放量的测定。%An analytical method based on using headspace extraction EVA material,the capillary vessel column gas phase mass spectrography carried on qualitative and quota to acetophenone and 2-Phenyl-2-propanol release.The method examination limit was 5 mg/kg,the mean recoveries for packaging material samples were 90.0 %~105 %.The method was accurate,simple,rapid and feasible for the inspection of acetophenone and 2-Phenyl-2-propanol release in EVA materials.

  14. Densities and volumetric properties of (N-(2-hydroxyethyl)morpholine + ethanol, + 1-propanol, + 2-propanol, + 1-butanol, and + 2-butanol) at (293.15, 298.15, 303.15, 313.15, and 323.15) K

    Densities of binary mixtures of N-(2-hydroxyethyl)morpholine with ethanol, 1-propanol, 2-propanol, 1-butanol, and 2-butanol were measured over the entire composition range at temperatures from (293.15 to 323.15) K and atmospheric pressure using a vibrating-tube densimeter. The excess molar volumes, VE were calculated from density data and fitted to the Redlich-Kister polynomial equation. Apparent molar volumes, partial molar volume at infinite dilution and the thermal expansion coefficient of the mixtures were also calculated. The VE values were found to be negative over the entire composition range and at all temperatures studied and become less negative with increasing carbon chain length of the alkanols

  15. Application of the margin of exposure (MoE) approach to substances in food that are genotoxic and carcinogenic: example: (CAS No. 96-23-1) 1,3-dichloro-2-propanol (DCP).

    Williams, Gary; Leblanc, Jean-Charles; Setzer, R Woodrow

    2010-01-01

    1,3-Dichloro-2-propanol (DCP) is formed in foods under a variety of conditions. It was positive in a variety of in vitro genotoxicity tests, but was negative in two in vivo studies. DCP produced neoplasms at several sites in rats. Kidney tumours in male rats were selected as the critical tumour type. Dose-response modelling of the data for DCP gave a BMDL(10) for combined kidney carcinomas and adenomas in male rats of 9.62 mg/kg-body weight (bw)/day. The exposure of humans was estimated at an average of 0.00009 mg/kg-bw/day and a high exposure of 0.000136 mg/kg-bw/day. The MOEs for these exposures were 100,000 and 70,000, respectively. PMID:20113855

  16. Excess molar enthalpies of {diethyl oxalate + (methanol, + ethanol, + 1-propanol, and + 2-propanol)} at T = (288.2, 298.2, 313.2, and 328.2) K and p = 101.3 kPa

    Highlights: • The excess molar enthalpies for four binary systems of diethyl oxalate + alcohols were determined. • The densities of the diethyl oxalate at different temperature were measured. • The excess molar enthalpies increase with temperature and the molecular size of the alcohols. • The experimental data were correlated by two local-composition models (NRTL and UNIQUAC). -- Abstract: A flow-mixing isothermal microcalorimeter was used to measure excess molar enthalpies for four binary systems of {diethyl oxalate + (methanol, + ethanol, + 1-propanol, and + 2-propanol)} at T = (288.2, 298.2, 313.2, and 328.2) K and p = 101.3 kPa. The densities of the diethyl oxalate at different temperature were measured by using a vibrating-tube densimeter. All systems exhibit endothermic behaviour over the whole composition range, which means that the rupture of interactions is energetically the main effect. The excess molar enthalpies increase with temperature and the molecular size of the alcohols. The experimental results were correlated by using the Redlich–Kister equation and two local-composition models (NRTL and UNIQUAC)

  17. Apparent molar volumes and apparent molar heat capacities of dilute aqueous solutions of ethanol, 1-propanol, and 2-propanol at temperatures from 278.15 K to 393.15 K and at the pressure 0.35 MPa

    Apparent molar volumes Vphi and apparent molar heat capacities Cp,phi have been determined for dilute aqueous solutions of ethanol, 1-propanol, and 2-propanol at temperatures from 278.15 K to 393.15 K and at the pressure 0.35 MPa. The molalities investigated ranged from 0.05 mol·kg-1 to 1.0 mol·kg-1. We used a vibrating tube densimeter (DMA 512P, Anton PAAR, Austria) to determine the densities and volumetric properties. Heat capacities were obtained using a twin fixed-cell, power-compensation, differential-output, temperature-scanning calorimeter (NanoDSC 6100, Calorimetry Sciences Corporation, American Fork, UT, USA). The results were fit by regression to equations that describe the surfaces (Vphi,T,m) and (Cp,phi,T,m). Infinite dilution partial molar volumes V20 and heat capacities C0p,2 were obtained over the range of temperatures by extrapolation of these surfaces to m=0 mol·kg-1

  18. Noninvasive assessment of hypoxia with 3-[18F]-fluoro-1-(2-nitro-1-imidazolyl)-2-propanol ([18F]-FMISO): a PET study in two experimental models of human glioma

    Despite multiple advances in cancer therapies, patients with glioblastoma (GBM) still have a poor prognosis. Numerous glioma models are used not only for the development of innovative therapies but also to optimize conventional ones. Given the significance of hypoxia in drug and radiation resistance and that hypoxia is widely observed among GBM, the establishment of a reliable method to map hypoxia in preclinical human models may contribute to the discovery and translation of future and more targeted therapies. The aim of this study was to compare the hypoxic status of two commonly used human ortho-topic glioma models (U87 and U251) developed in rats and studied by noninvasive hypoxia imaging with 3-[18F] fluoro-1-(2-nitro-1-imidazolyl)-2-propanol-micro-positron emission tomography ([18F]-FMISO-μPET). In parallel, because of the relationships between angiogenesis and hypoxia, we used magnetic resonance imaging (MRI), histology, and immunohistochemistry to characterize the tumoral vasculature. Although all tumors were detectable in T2-weighted MRI and 2-deoxy-2-[18F]fluoro-D-glucose-mu PET, only the U251 model exhibited [18]-FMISO uptake. Additionally, the U251 tumors were less densely vascularized than U87 tumors. Our study demonstrates the benefits of noninvasive imaging of hypoxia in preclinical models to define the most reliable one for translation of future therapies to clinic based on the importance of intratumoral oxygen tension for the efficacy of chemotherapy and radiotherapy. (authors)

  19. Excess molar enthalpies and excess molar volumes of formamide + 1-propanol or 2-propanol and thermodynamic modeling by Prigogine–Flory–Patterson theory and Treszczanowicz–Benson association model

    Highlights: ► Measured HmE and VmE data of formamide + propanol were interpreted in terms of PFP theory. ► Treszczanowicz–Benson association model was also applied to these binary systems. ► The calculated HmE and VmE values compared well with corresponding experimental data. ► Extent of H-bonding in formamide and propanol in their mixture was reflected in ΔhH0 and KH. - Abstract: Excess molar enthalpies (HmE) at 298.15 K and 308.15 K and excess molar volumes (VmE) at 308.15 K for formamide (1) + 1-propanol or 2-propanol (2) mixtures have been measured over the entire composition range. The excess enthalpies and excess volumes data have been utilized to study the thermodynamics of molecular interactions in terms of Prigogine–Flory–Patterson theory and Treszczanowicz–Benson association model with a Flory contribution term. In this paper, this Treszczanowicz–Benson association model was applied, for the first time, to binary mixtures containing both components associated (propanol and formamide) through hydrogen bonding. In both the cases, when either of formamide or propanol was assumed to be associated, the calculated HmE and VmE values compared well with corresponding experimental data. Extent of inter-molecular H-bonding in formamide and propanol in their binary mixtures was also reflected in their molar enthalpy of association of H-bonding ΔhH0 and association constant KH

  20. Henry's law constants and infinite dilution activity coefficients of cis-2-butene, dimethylether, chloroethane, and 1,1-difluoroethane in methanol, 1-propanol, 2-propanol, 1-butanol, 2-butanol, isobutanol, tert-butanol, 1-pentanol, 2-pentanol, 3-pentanol, 2-methyl-1-butanol, 3-methyl-1-butanol, and 2-methyl-2-butanol

    Henry's law constants and infinite dilution activity coefficients of cis-2-butene, dimethylether, chloroethane, and 1,1-difluoroethane in methanol, 1-propanol, 2-propanol, 1-butanol, 2-butanol, isobutanol, tert-butanol, 1-pentanol, 2-pentanol, 3-pentanol, 2-methyl-1-butanol, 3-methyl-1-butanol, and 2-methyl-2-butanol in the temperature range of 250 K to 330 K were measured by a gas stripping method and partial molar excess enthalpies were calculated from the activity coefficients. A rigorous formula for evaluating the Henry's law constants from the gas stripping measurements was used for the data reduction of these highly volatile mixtures. The uncertainty is about 2% for the Henry's law constants and 3% for the estimated infinite dilution activity coefficients. In the evaluation of the infinite dilution activity coefficients, the nonideality of the solute such as the fugacity coefficient and Poynting correction factor cannot be neglected, especially at higher temperatures. The estimated uncertainty of the infinite dilution activity coefficients includes 1% for nonideality

  1. Support vector classification for structure-activity-relationship of 1-(1H-1,2,4-triazole-1-yl)-2-(2,4-difluorophenyl)-3-substituted-2-propanols%支持向量分类算法用于1-(1H-1,2,4-三唑-1-基)-2-(2,4-二氟苯基)-3-取代-2-丙醇化合物的构效关系研究

    纪晓波; 陆文聪; 蔡煜东; 陈念贻

    2007-01-01

    The support vector classification (SVC) was employed to make a model for classification of antifungal activities of 1-(1H-1,2,4-triazole-1-yl)-2-(2,4-difluorophenyl)-3-substituted-2-propanols triazole derivatives. The compounds with high antifungal activities and those with low antifungal activities were compared on the basis of the following molecular descriptors: net atomic charge on the atom N connecting with R, dipole moment and heat of formation. By using the SVC, a mathematical model was constructed, which can predict the antifungal activities of the triazole derivatives, with an accuracy of 91% on the basis of the leave-one-out cross-validation (LOOCV) test. The results indicate that the performance of the SVC model can exceed that of the principal component analysis (PCA) and K-Nearest Neighbor (KNN) models for this real world data set.

  2. Interface between platinum(111) and liquid isopropanol (2-propanol): A model for molecular dynamics studies

    Tarmyshov, Konstantin B.; Müller-Plathe, Florian

    2007-02-01

    A molecular dynamics model and its parametrization procedure are devised and used to study adsorption of isopropanol on platinum(111) (Pt(111)) surface in unsaturated and oversaturated coverages regimes. Static and dynamic properties of the interface between Pt(111) and liquid isopropanol are also investigated. The magnitude of the adsorption energy at unsaturated level increases at higher coverages. At the oversaturated coverage (multilayer adsorption) the adsorption energy reduces, which coincides with findings by Panja et al. in their temperature-programed desorption experiment [Surf. Sci. 395, 248 (1998)]. The density analysis showed a strong packing of molecules at the interface followed by a depletion layer and then by an oscillating density profile up to 3nm. The distribution of individual atom types showed that the first adsorbed layer forms a hydrophobic methyl "brush." This brush then determines the distributions further from the surface. In the second layer methyl and methine groups are closer to the surface and followed by the hydroxyl groups; the third layer has exactly the inverted distribution. The alternating pattern extends up to about 2nm from the surface. The orientational structure of molecules as a function of distance of molecules is determined by the atom distribution and surprisingly does not depend on the electrostatic or chemical interactions of isopropanol with the metal surface. However, possible formation of hydrogen bonds in the first layer is notably influenced by these interactions. The surface-adsorbate interactions influence the mobility of isopropanol molecules only in the first layer. Mobility in the higher layers is independent of these interactions.

  3. Catalytic Hydrotreatment of Humins in Mixtures of Formic Acid/2-Propanol with Supported Ruthenium Catalysts.

    Wang, Yuehu; Agarwal, Shilpa; Kloekhorst, Arjan; Heeres, Hero Jan

    2016-05-10

    The catalytic hydrotreatment of humins, which are the solid byproducts from the conversion of C6 sugars (glucose, fructose) into 5-hydroxymethylfurfural (HMF) and levulinic acid (LA), by using supported ruthenium catalysts has been investigated. Reactions were carried out in a batch setup at elevated temperatures (400 °C) by using a hydrogen donor (formic acid (FA) in isopropanol (IPA) or hydrogen gas), with humins obtained from d-glucose. Humin conversions of up to 69 % were achieved with Ru/C and FA, whereas the performance for Ru on alumina was slightly poorer (59 % humin conversion). Humin oils were characterized by using a range of analytical techniques (GC, GC-MS, GCxGC, gel permeation chromatography) and were shown to consist of monomers, mainly alkyl phenolics (>45 % based on compounds detectable by GC) and higher oligomers. A reaction network for the reaction is proposed based on structural proposals for humins and the main reaction products. PMID:26836970

  4. Influence of anionic stabilization of alumina particles in 2-propanol medium on the electrophoretic deposition and mechanical properties of deposits

    Drdlík, D.; Bartoníčková, E.; Hadraba, Hynek; Cihlář, J.

    2014-01-01

    Roč. 34, č. 14 (2014), s. 3365-3371. ISSN 0955-2219 R&D Projects: GA MŠk(CZ) ED1.1.00/02.0068 Institutional support: RVO:68081723 Keywords : Anionic stabilization * Electric conductivity * Alumina * Electrophoretic deposition Subject RIV: JH - Ceramics, Fire-Resistant Materials and Glass Impact factor: 2.947, year: 2014

  5. Calibration of a low temperature calorimeter and application in the determination of isobaric heat capacity of 2-propanol

    Nowadays, the experimental thermodynamic characterization of solvents in an extended range of temperatures and pressures is essential for the development of a wide variety of industrial applications (refrigeration, reactors, pumping, etc.). Moreover, accurate experimental data are also the key for the successful development and subsequent benchmarking of thermodynamic theoretical models. In the particular case of isobaric heat capacities, there are quite a lot of reported experimental high temperature data but, on the other hand, low temperature data are practically inexistent for most compounds. Bearing this limitation in mind, the present work is focused on the development of a new calibration methodology for calorimetric determination of isobaric heat capacities in liquid state at low temperatures. For this purpose, a Calvet calorimeter, SETARAM BT 2.15 has been used. By means of the calibration procedure explained below, this calorimeter allows to determine phase transitions and thermodynamic properties in a wide range of temperature (233.15-473.15 K) and pressure (0.1-100 MPa).

  6. Calibration of a low temperature calorimeter and application in the determination of isobaric heat capacity of 2-propanol

    Casas, L.M., E-mail: lmcasas@uvigo.es [Departamento de Fisica Aplicada, Facultade de Ciencias Experimentais, Universidade de Vigo, Lagoas Marcosende s/n, 36310 Vigo (Spain); Plantier, F. [Laboratoire de Thermodynamique et Energetique des Fluides Complexes - UMR 5150, Universite de Pau et des Pays de l' Adour, BP 1155, 64013 Pau (France); Pineiro, M.M.; Legido, J.L. [Departamento de Fisica Aplicada, Facultade de Ciencias Experimentais, Universidade de Vigo, Lagoas Marcosende s/n, 36310 Vigo (Spain); Bessieres, D. [Laboratoire de Thermodynamique et Energetique des Fluides Complexes - UMR 5150, Universite de Pau et des Pays de l' Adour, BP 1155, 64013 Pau (France)

    2010-08-10

    Nowadays, the experimental thermodynamic characterization of solvents in an extended range of temperatures and pressures is essential for the development of a wide variety of industrial applications (refrigeration, reactors, pumping, etc.). Moreover, accurate experimental data are also the key for the successful development and subsequent benchmarking of thermodynamic theoretical models. In the particular case of isobaric heat capacities, there are quite a lot of reported experimental high temperature data but, on the other hand, low temperature data are practically inexistent for most compounds. Bearing this limitation in mind, the present work is focused on the development of a new calibration methodology for calorimetric determination of isobaric heat capacities in liquid state at low temperatures. For this purpose, a Calvet calorimeter, SETARAM BT 2.15 has been used. By means of the calibration procedure explained below, this calorimeter allows to determine phase transitions and thermodynamic properties in a wide range of temperature (233.15-473.15 K) and pressure (0.1-100 MPa).

  7. Excess molar enthalpies of ternary mixtures of (methanol, ethanol + 2-propanol + 1,4-dioxane) at T=298.15 K

    Ternary excess molar enthalpies for the {x1CH3OH + x2i-C3H7OH + (1-x1-x2)c-C4H8O2} and {x1C2H5OH + x2i-C3H7OH + (1-x1-x2)c-C4H8O2} mixtures have been measured by a flow microcalorimeter at T=298.15 K and ambient pressure. The experimental results are correlated with a polynomial equation and used to construct constant excess enthalpy contours. Furthermore, the results have been compared with those calculated from a UNIQUAC associated-solution model. This model considers the self-association of like alcohols, multicross-association of unlike alcohols, and solvation between alcohols and 1,4-dioxane. The model with the association constants, solvation constants, and binary information alone predict the ternary excess molar enthalpies satisfactorily

  8. Isothermal (Vapour + Liquid) Equilibria in the Binary and Ternary Systems Composed of 2-Propanol, 2,2,4-Trimethylpentane and 2,4-Dimethyl-3-Pentanone

    Pavlíček, Jan; Wichterle, Ivan

    2012-01-01

    Roč. 45, č. 1 (2012), s. 83-89. ISSN 0021-9614 R&D Projects: GA ČR GA104/07/0444 Institutional research plan: CEZ:AV0Z40720504 Keywords : alcohol * ketone * hydrocarbon Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.297, year: 2012

  9. Hydrogen transfer reaction of cyclohexanone with 2-propanol catalysed by CeO2-ZnO materials: Promoting effect of ceria

    Braja Gopal Mishra; G Ranga Rao; B Poongodi

    2003-10-01

    Ce-Zn-O mixed oxides were prepared by amorphous citrate process and decomposition of the corresponding acetate precursors. The resulting materials were characterised by TGA, XRD, UV-Vis-DRS, EPR, SEM and surface area measurements. XRD and DRS results indicated fine dispersion of the ceria component in the ZnO matrix. EPR results clearly indicate the presence of oxygen vacancy and defect centres in the composite oxide. Addition of CeO2 to ZnO produced mixed oxides of high surface area compared to the pure ZnO. Hydrogen transfer reaction was carried out on these catalytic materials to investigate the effect of rare earth oxide on the activity of ZnO. Addition of ceria into zinc oxide was found to increase the catalytic activity for hydrogen transfer reaction. The catalytic activity also depended on the method of preparation. Citrate process results in uniformly dispersed mixed oxide with higher catalytic activity.

  10. Synthesis and antifungal activity of 1- ( 1 H-1, 2,4-triazol-1-yl) -2- (2,4-difluorophenyl)-3-(4-substituted acyl piperazin-1-yl)-2-propanols

    LIANG Shuang; LIU Chao-mei; ZHU Jie; HE Qiu-qin; JIANG Yuan-ying; CAO Yong-bin

    2004-01-01

    Objective: To study the effect of fluconzole derivatives from a side chain containing 4-substituted acyl piperazin-1-yl on antifungal activity. Methods: Fourteen title compounds were synthesized and confirmed by the elementary analysis, 1HNMR and IR spectra. Five deep fungal strains and 3 shallow fungal strains were chosen as the experimental strains. Minimum inhibitory concentrations(MICs) of all title compounds were determined by the method recommended by the National Committee for Clinical Laboratory Standards (NCCLS) using RPMI 1640 test medium. Results: Among the 14title compounds, 12 were first reported. The results of preliminary antifungal test showed that all the title compounds exhibited potent antifungal activities to a certain extent. The activity of 4 compounds were more than 4 times as high as that of fluconazole and equal to that of ketoconazole against Candida albicans in vitro(MIC80 value≤0. 125 μg/ml). Conclusion:Introduction of a side chain containing 4-substituted acyl piperazin-l-yl into the main part of fluconazole has important influence on antifungal activities of title compounds.

  11. Experimental excess molar properties of binary mixtures of (3-amino-1-propanol + isobutanol, 2-propanol) at T = (293.15 to 333.15) K and modelling the excess molar volume by Prigogine–Flory–Patterson theory

    Highlights: ► Density and viscosity of binary mixtures of propanol derivatives were measured at T = (293.15 to 333.15) K. ► The excess molar properties were calculated from these experimental data and correlated by Redlich–Kister equation. ► The PFP model was applied for correlating the excess molar volumes. - Abstract: Density and viscosity of binary mixtures of (x13-amino-1-propanol + x2isobutanol) and (x13-amino-1-propanol + x22-propanol) were measured over the entire composition range and from temperatures (293.15 to 333.15) K at ambient pressure. The excess molar volumes and viscosity deviations were calculated and correlated by the Redlich–Kister (RK) equation. The thermal expansion coefficient and its excess value, isothermal coefficient of excess molar enthalpy, and excess partial molar volumes were determined by using the experimental values of density and are described as a function of composition and temperature. The excess molar volumes are negative over the entire mole fraction range for both mixtures and increase with increasing temperature. The excess molar volumes obtained were correlated by the Prigogine–Flory–Patterson (PFP) model. The viscosity deviations of the binary mixtures are negative over the entire composition range and decrease with increasing temperature.

  12. Excess Molar Volumes and Viscosities for Binary Mixtures of 1-Alkoxypropan-2-ols with 1-Butanol,and 2-Butanol at 298.15 K and Atmospheric Pressure

    PAL Amalendu; GABA Rekha

    2007-01-01

    Excess molar volumes VEm and kinematic viscosities v have been measured as a function of composition for binary mixtures of propylene glycol monomethyl ether (1-methoxy-2-propanol),MeOCH2CH(OH)Me,propylene glycol monoethyl ether (1-ethoxy-2-propanol), EtOCH2CH(OH)Me,propylene glycol monopropyl ether (1-propoxy-2-propanol), PrOCH2CH(OH)Me, propylene glycol monobutyl ether (1-butoxy-2-propanol),BuOCH2CH(OH)Me,and propylene glycol tert-butyl ether (1-tert-butoxy-2-propanol),t-BuOCH2CH(OH)Me with 1-butanol,and 2-butanol,at 298.15 K and atmospheric pressure.The excess molar volumes are negative across the entire range of composition for all the systems with 1-butanol,and positive for the systems 2-butanol+1-methoxy-2-propanol,and +1-propoxy-2-propanol,negative for the systems 2-butanol+1-butoxy-2-propanol,and change sign for the systems 2-butanol+1-ethoxy-2-propanol,and +1-tert-butoxy-2-propanol.From the experimental data,the deviation in dynamic viscosity η from Σxiηi has been calculated.Both excess molar volumes and viscosity deviations have been correlated using a Redlich-Kister type polynomial equation by the method of least-squares for the estimation of the binary coefficients and the standard errors.

  13. The methods of synthesis of glycerin derivatives

    In this chapter of book authors present some methods of synthesis of glycerin derivatives, in particular, synthesis of 3-met oxi-1.2-propandiol, 1.3-di-benzil-oxi-2-propanol, 1-ge xi-lox-3-chlorine-2-propanol and other

  14. Derivatives of 1,3-oxazolidines on the base of diamino-alcohols

    In this article authors investigated the reaction of 1-cyclohexyl amino-3-diethyl amino-2-propanol, 1-butylamine-3-diethyl amino-2-propanol. By authors was determined that reaction of initial diamino-alcohols with furfural passing at molar correlation of reagents 1:1 at temperature 20-22digC at presence dehydrating medium-potash during 36 hours

  15. Preparation of Pt Ru/C electrocatalysts using gamma radiation for application as anode in direct methanol fuel cell

    PtRu nanoparticles supported on carbon (PtRu/C electrocatalysts) were prepared submitting a water/2-propanol mixture containing the metal ions and the carbon support to gamma radiation. The water/2-propanol (v/v) and the total dose (kGy) were studied. The electrocatalysts were characterized by EDX, XRD and cyclic voltammetry. The methanol electro-oxidation was studied by cyclic voltammetry using the thin porous coating. In the studied conditions, the electrocatalytic activity of the prepared electrocatalysts depend on the water/2-propanol ratio used in the reaction medium. (author)

  16. Research of component adsorption from the binary mixture of organic solvents

    Карван, Світлана Анатоліївна; Сарібєков, Георгій Савич

    2010-01-01

    Results of superficial tension determinaition of solutions of mixed solvents on the basis of perchloroethylene and 2-propanol are resulted, characteristics of absorption monolayer of their molecules are calculated. Regularities of solvents adsorption by textile materials are investigated.

  17. Amlodipine Benzenesulfonate: A Mechanistic Investigation of Its Industrial Preparation via Detritylation of N-tritylamlodipine and Related NMR Studies

    Furlan, Borut; Grdadolnik, Simona Golič; Hočevar, Stanko; Kocjan, Darko; Levec, Janez; Maskill, Howard; Navrátilová, Hana; Pospíšil, Jiří; Potáček, Milan; Urleb, Uroš; Žmitek, Janko

    2009-01-01

    Kinetics and product analysis of detritylation of N-tritylamlodipine by benzenesulfonic acid in methanol, methanol-chloroform (volume ratio 9:1), ethanol, 2-propanol, and methanol/2-propanol (mole ratio 1:1) have been investigated by HPLC; amongst these reaction conditions are ones closely similar to those of one method of manufacturing amlodipine benzenesulfonate. Kinetics of detritylation of Ntritylamlodipine have also been investigated in methanol-d4 by 1H NMR spectroscopy and the agreemen...

  18. Reconstitution baking tests with defatted wheat flour are suitable for determining the functional effects of lipase-treated wheat lipids.

    Schaffarczyk, Monika; Østdal, Henrik; Matheis, Olivia; Jekle, Mario; Koehler, Peter

    2016-06-01

    A microscale reconstitution baking test, using wheat flour defatted with 2-propanol at 20 °C, was established to determine the functional effects of lipids isolated from lipase-treated wheat dough. Proper selection of solvent and extraction temperature was of major importance to maintain the functionality of defatted flour. Dough and gluten from flour defatted with water-saturated 1-butanol (WSB; extracted at 20 °C) and 2-propanol (extracted at 75 °C) had inferior extensibility and loaf volume compared to control flour extracted with 2-propanol at 20 °C. Quantitation of gluten proteins showed that defatting with WSB (20 °C) or 2-propanol (75 °C) decreased the gliadin and increased the glutenin content. Possible reasons were thiol-disulfide interchange reactions, caused either by heat (2-propanol, 75 °C) or by the solvent WSB, which affected gluten proteins. Confocal laser scanning microscopy showed that regular, interconnected gluten structures were only present in dough from flour defatted with 2-propanol at 20 °C. PMID:26830576

  19. Catalytic activity of poly[(methacrylato)aluminum(III)] obtained at different gamma-radiation doses

    Vilchis-Nestor, A.R. [Facultad de Quimica, Universidad Autonoma del Estado de Mexico, Paseo Tollocan and Paseo Colon, A.P. A-20, Toluca, C.P. 50120 (Mexico); Urena-Nunez, F., E-mail: fernando.urena@inin.gob.mx [Instituto Nacional de Investigaciones Nucleares, km 36.5, Carretera Mexico-Toluca, Ocoyoacac, Estado de Mexico, C.P. 52750 (Mexico); Sanchez-Mendieta, V. [Facultad de Quimica, Universidad Autonoma del Estado de Mexico, Paseo Tollocan and Paseo Colon, A.P. A-20, Toluca, C.P. 50120 (Mexico); Perez-Hernandez, R. [Instituto Nacional de Investigaciones Nucleares, km 36.5, Carretera Mexico-Toluca, Ocoyoacac, Estado de Mexico, C.P. 52750 (Mexico)

    2011-11-15

    A novel coordination polymer was obtained throughout the polymerization of aluminum(III) methacrylate at different doses (10, 20, 30, 40, 50 and 80 kGy) using gamma-radiation as initiator. The materials were characterized by electronic paramagnetic resonance (EPR), thermogravimetric analyses (TGA) and scanning electron microscopy/electron dispersive X-ray analyses (SEM/EDAX) techniques; particle size distribution and surface areas were also determined. The samples of poly[(methacrylato)aluminum(III)] obtained at different {gamma}-doses were found to catalyze 2-propanol dehydrogenation and dehydration to acetone and propene. A noticeable activity was observed with Poly[(methacrylato)aluminum(III)] obtained at 50 kGy, which has higher conversion of 2-propanol and the highest selectivity to acetone ({approx}90%). Results suggest that the decomposition of 2-propanol is correlated with the effect of gamma-radiation on the structure and surface area of the catalysts. - Highlights: > We report the synthesis of micro-crystalline novel poly[(methacrylato)aluminum(III)]. > Polymer was obtained throughout the polymerization of Al(III) methacrylate at different doses. > PMALs were found to catalyze 2-propanol dehydrogenation and dehydration to acetone and propene. > PMAL obtained at 50 kGy has the higher conversion of 2-propanol and selectivity to acetone ({approx}90%).

  20. Infrared laser induced organic reactions. 2. Laser vs. thermal inducment of unimolecular and hydrogen bromide catalyzed bimolecular dehydration of alcohols

    It has been demonstrated that a mixture of reactant molecules can be induced by pulsed infrared laser radiation to react via a route which is totally different from the pathway resulting from heating the mixture at 3000C. The high-energy unimolecular elimination of H2O from ethanol in the presence of 2-propanol and HBr can be selectively induced with a pulsed CO2 laser in preference to either a lower energy bimolecular HBr-catalyzed dehydration or the more facile dehydration of 2-propanol. Heating the mixture resulted in the almost exclusive reaction of 2-propanol to produce propylene. It was demonstrated that the bimolecular ethanol + HBr reaction cannot be effectively induced by the infrared laser radiation as evidenced by the detrimental effect on the yield of ethylene as the HBr pressure was increased. The selective, nonthermal inducement of H2O elimination from vibrationally excited ethanol in the presence of 2-propanol required relatively low reactant pressures. At higher pressures intermolecular V--V energy transfer allowed the thermally more facile dehydration from 2-propanol to become the predominant reaction channel

  1. Preconcentration in gas or liquid phases using adsorbent thin films

    Antonio Pereira Nascimento Filho

    2006-03-01

    Full Text Available The possibility of preconcentration on microchannels for organic compounds in gas or liquid phases was evaluated. Microstructures with different geometries were mechanically machined using poly(methyl methacrylate - PMMA as substrates and some cavities were covered with cellulose. The surfaces of the microchannels were modified by plasma deposition of hydrophilic or hydrophobic films using 2-propanol and hexamethyldisilazane (HMDS, respectively. Double layers of HMDS + 2-propanol were also used. Adsorption characterization was made by Quartz Crystal Measurements (QCM technique using reactants in a large polarity range that showed the adsorption ability of the structures depends more on the films used than on the capillary phenomena. Cellulose modified by double layer film showed a high retention capacity for all gaseous compounds tested. However, structures without plasma deposition showed low retention capacity. Microchannels modified with double layers or 2-propanol plasma films showed higher retention than non-modified ones on gas or liquid phase.

  2. Contribution to the study of gamma radiolysis of 2-furyl butyl or substituted phenyl ketones in isopropanol

    The following ketones: 2-furyl butyl ketone (I), 2 furyl phenyl ketone (II), 2-furyl p-methylphenyl ketone (III) and 2-furyl p-methoxyphenyl ketone (IV) were synthesised and characterised. The yields of hydrogen and methane obtained during radiolysis of the mixtures ketones (I to IV)-2-propanol were determined. These yields are always lower than with pure 2-propanol. Radiolysis products for ketones (I) and (II) are studied. Analysis of radiolitical products were conducted by gas chromatography. Effect of radiation dose and ketone concentration is determined. Reaction mechanisms are studied

  3. Radiolytic reduction reaction of colloidal silver bromide solution

    The reduction reaction of colloidal silver bromide (AgBr3)2- in nitrous oxide gas saturated solution of some alcohols: methanol, ethanol, 2-propanol and 2-methyl-2-propanol by γ-irradiation was studied spectrophotometrically in order to elucidate the mechanism of the formation of colloidal silver bromide (AgBr3)3- at ambient temperature. The amount of colloidal silver bromide formed increases in the order: i-PrOH, EtOH, MeOH. In t-BuOH, colloidal silver bromide did not form. The relative reactivities of alcohols for colloidal silver bromide was also studied kinetically. (author)

  4. Pulse radiolysis of sulfonato-propyl-viologen (SPV) in aqueous solution containing colloidal platinum

    The pulse radiolysis of the zwitterion sulfonato-propyl-viologen (SPV) was studied in aqueous solutions containing 2-propanol. SPV reacts with the hydrated electron and the 2-propanol radical yielding the anion radical, SPV-. The absorbance changes due to the formation of SPV- were followed at 578 nm (epsilon578 = 1.0 x 104M-1 cm-1). In the absence of colloidal platinum (Ptc) or air, SPV- is stable for at least several hours. In the presence of Ptc a single decay process was observed. The results are compared with the nitrobenzene-Ptc and methylviologen-Ptc systems. (author)

  5. Design,Synthesis and Antifungal Activity of Novel Triazole Derivatives

    Chun Quan SHENG; Wan Nian ZHANG; Hai Tao JI; Yun Long SONG; Min ZHANG; You Jun ZHOU; Jia Guo LU; Jü ZHU

    2004-01-01

    Twenty-one 1-(1H-1,2,4-triazolyl)-2-(2,4-diflurophenyl)-3-(4-substituted-1- piperazinyl)-2-propanol derivatives were designed and synthesized,on the basis of the active site of lanosterol 14(-demethylase.In vitro antifungal activities showed that some of the target compounds had higher antifungal activity and broader antifungal spectrum than fluconazole.

  6. AROMATIC AMINES IN AND NEAR THE BUFFALO RIVER

    Three sediment samples taken from the Buffalo River and two soil samples taken near its bank have been analyzed for 2-propanol-extractable, basic organic compounds by using GC/MS. Eleven aromatic amines related to the commercial production of malachite green and crystal violet we...

  7. REMEDIATING PESTICIDE CONTAMINATED SOILS USING SOLVENT EXTRACTION

    Bench-scale solvent extraction studies were performed on soil samples obtained from a Superfund site contaminated with high levels of p,p'-DDT, p,p'-DDD,, p,p'-DDE and toxaphene. The effectiveness of the solvent extraction process was assessed using methanol and 2-propanol as sol...

  8. Enrichment and identification of integral membrane proteins from barley aleurone layers by reversed-phase chromatography, SDS-PAGE and LC-MS/MS

    Hynek, Radovan; Svensson, Birte; Nørregaard Jensen, Ole; Barkholt, Vibeke; Finnie, Christine

    2006-01-01

    developed, comprising batch reversed-phase chromatography with stepwise elution of hydrophobic proteins by 2-propanol. Proteins in the most hydrophobic fraction were separated by SDS-PAGE and identified by LC-MS/MS and barley EST sequence database search. The method was efficient for enrichment of integral...

  9. Enrichment and identification of integral membrane proteins from barley aleurone layers by reversed-phase chromatography, SDS-PAGE, and LC-MS/MS

    Hynek, Radovan; Svensson, Birte; Jensen, O.N.; Barkholt, Vibeke; Finnie, Christine

    2006-01-01

    was developed, comprising batch reversed-phase chromatography with stepwise elution of hydrophobic proteins by 2-propanol. Proteins in the most hydrophobic fraction were separated by SDS-PAGE and identified by LC-MS/MS and barley EST sequence database search. The method was efficient for enrichment of...

  10. The nitrogen-containing compounds on the glycerin base

    In present time in all over the world there are leading an intensive investigations on synthesis and studying positive properties of amine-derivatives on the glycerine base. To them related amine and ether-amines of propanediol-1,2; 1,3-diamines-2-propanole and different their derivatives, which present interest as a potential biological active substances

  11. The Optical Resolution of Chiral Tetrahedrone-type Clusters Contai- ning SCoFeM (M=Mo or W) Using High Performance Liquid Chromatography Chiral Stationary Phase

    2002-01-01

    Amylose tris (phenylcarbamate) chiral stationary phase (ATPC-CSP) was prepared and used for optical resolution of clusters 1 and 2. n-Hexane/2-propanol ( 99/1; v/v) were found to be the most suitable mobile phase on ATPC-CSP.

  12. Bepaling van theofylline (1,3-dimethylxanthine) in hondeplasma met behulp van reversed-phase vloeistofchromatografie

    Olling; M; Besamusca; P.; Rauws; A.G.

    1985-01-01

    In dit rapport wordt een snelle en nauwkeurige methode beschreven voor de bepaling van theofylline in plasma. Theofylline wordt uit plasma geextraheerd met chloroform/2-propanol en met behulp van reversed-phase hogedruk vloeistofchromatografie gescheiden en met spectrofotometrische detectie bepa

  13. Properties of electrospun pollock gelatin/poly(vinyl alcohol) and pollock gelatin/poly(lactic acid) fibers

    Pollock gelatin/poly(vinyl alcohol) (PVA) fibers were electrospun using deionized water as the solvent and pollock gelatin/poly(lactic acid) (PLA) fibers were electrospun using 1,1,1,3,3,3-hexafluoro-2-propanol (HFIP) as the solvent. The chemical, thermal, and thermal stability properties were exami...

  14. Stereo block copolymers of L- and D-lactides

    Yui, Nobuhiko; Dijkstra, Pieter J.; Feijen, Jan

    1990-01-01

    Sequential diblock copolymers composed of L- and D-lactic acid residues were synthesized through a living ring-opening polymerization of L- and D-lactide initiated by aluminium tris(2-propanolate). The composition of the block copolymers was varied by changing the reaction conditions and monomer ove

  15. Solid–liquid equilibria for binary and ternary systems with the Cubic-Plus-Association (CPA) equation of state

    Fettouhi, André; Thomsen, Kaj

    2010-01-01

    A systematic investigation of the CPA model's performance within solid-liquid equilibria (SLE) in binary mixtures (methane + ethane, methane + heptane, methane + benzene, methane + CO2, ethane + heptane, ethane + CO2, 1-propanol + 1,4-dioxane, ethanol + water, 2-propanol + water) is presented. Th...

  16. Preparation of PtRu/C anode electrocatalysts using gamma radiation for methanol electro-oxidation; Preparacao de eletrocatalisadores PtRu/C utilizando radiacao gama para aplicacao como anodo na oxidacao direta de metanol

    Silva, Dionisio Fortunato da

    2006-07-01

    Pt Ru/C (carbon-supported Pt Ru nanoparticles) anode electrocatalysts were prepared using radiolytic process (gamma radiation) and tested for methanol electro-oxidation. In this process, water/2-propanol and water/ethylene glycol solutions containing the metallic ions and the carbon support were submitted to gamma radiation under stirring. The water/alcohol ratio (v/v) and the total dose (kGy) were studied. A nominal Pt Ru atomic ratio of 50:50 were used in all experiments. The electrocatalysts were characterized by energy dispersive X-ray analysis (EDX), X-ray diffraction (XRD), transmission electron microscopy (TEM) and cyclic voltammetry (CV). The electro-oxidation of methanol was studied by cyclic voltammetry using the thin porous coating technique. The electrocatalysts prepared in water/2-propanol showed crystallite size in the range of 3-5 nm and Pt Ru atomic ratio of 50:50. The electrocatalysts prepared in water/ethylene glycol showed crystallite size (2-3 nm) smaller than the ones obtained in water/2-propanol, however, the Pt Ru atomic ratios obtained were approximately 80:20, showing that only part of ruthenium ions were reduced. For methanol oxidation the electrocatalytic activity depends on the water/2-propanol and water/ethylene glycol ratio used in the reaction medium. The electrocatalysts prepared in water/2-propanol showed inferior performance to the ones prepared in water/ethylene glycol, which showed similar or superior performances (amperes per gram of platinum) to the commercial electrocatalyst from E-TEK. (author)

  17. Preparation of PtRu/C anode electrocatalysts using gamma radiation for methanol electro-oxidation

    Pt Ru/C (carbon-supported Pt Ru nanoparticles) anode electrocatalysts were prepared using radiolytic process (gamma radiation) and tested for methanol electro-oxidation. In this process, water/2-propanol and water/ethylene glycol solutions containing the metallic ions and the carbon support were submitted to gamma radiation under stirring. The water/alcohol ratio (v/v) and the total dose (kGy) were studied. A nominal Pt Ru atomic ratio of 50:50 were used in all experiments. The electrocatalysts were characterized by energy dispersive X-ray analysis (EDX), X-ray diffraction (XRD), transmission electron microscopy (TEM) and cyclic voltammetry (CV). The electro-oxidation of methanol was studied by cyclic voltammetry using the thin porous coating technique. The electrocatalysts prepared in water/2-propanol showed crystallite size in the range of 3-5 nm and Pt Ru atomic ratio of 50:50. The electrocatalysts prepared in water/ethylene glycol showed crystallite size (2-3 nm) smaller than the ones obtained in water/2-propanol, however, the Pt Ru atomic ratios obtained were approximately 80:20, showing that only part of ruthenium ions were reduced. For methanol oxidation the electrocatalytic activity depends on the water/2-propanol and water/ethylene glycol ratio used in the reaction medium. The electrocatalysts prepared in water/2-propanol showed inferior performance to the ones prepared in water/ethylene glycol, which showed similar or superior performances (amperes per gram of platinum) to the commercial electrocatalyst from E-TEK. (author)

  18. Correlation of crystal structures, electronic structures and photocatalytic properties in W-based oxides

    We reported a novel W-based oxide NaBi(WO4)2 with WO4 tetrahedral crystal structure as a photocatalyst for decomposition of 2-propanol. The physical characteristics of the sample were examined by XRD, BET measurement and SEM, respectively. The band gap of NaBi(WO4)2 was determined to be 3.6 eV according to the diffuse reflectance spectra of the sample. The photocatalytic activity of NaBi(WO4)2 was confirmed by decomposing 2-propanol into acetone and CO2. It showed a higher acetone generation rate (211 ppm h-1) in contrast to that of WO3 (120 ppm h-1), which consisted of WO6 octahedra. Their electronic structures were further investigated by the plane-wave based density function theory. The results suggested that the crystal field (WO6 and WO4) significantly influenced the electronic structures and hence affected the photocatalytic activity.

  19. Nitro group photoreduction of 4-(2-nitrophenyl)- and 4-(3-nitrophenyl)-1,4-dihydropyridines

    Graphical abstract: The intramolecular photoreduction of nifedipine occurs within a few ns, Φred = 0.3. The photoreduction of nimodipine and nitrendipine is enhanced in the presence of triethylamine, Φred red = 0.3 and does not depend significantly on the oxygen concentration and solvent properties. Formation of the fully reduced 4-(2-aminophenyl)-1,4-dihydropyridine as minor product is indicated by fluorescence spectroscopy. The photoreduction of nimodipine and nitrendipine is inefficient, Φred = 0.002 in acetonitrile, but markedly enhanced in the presence of donors such as triethylamine (TEA) and 2-propanol, e.g. for TEA Φred is up to 0.03. The triplet states of nimodipine and nitrendipine were characterized. They react intermolecularly with TEA and 2-propanol, forming radicals as intermediates and eventually several reduction products.

  20. Adsorption of Organic Molecules on Kaolinite from the Exchange-Hole Dipole Moment Dispersion Model.

    Johnson, Erin R; Otero-de-la-Roza, Alberto

    2012-12-11

    Intermolecular interactions between organic molecules and clay minerals are important in a wide range of chemical applications, ranging from oil-sands petroleum extraction to environmental chemistry and catalysis. The binding energies between each of benzene, n-hexane, pyridine, 2-propanol, and water and the kaolinite surface are calculated using density functional theory with the exchange-hole dipole moment dispersion model. The dominant noncovalent interactions are found to be hydrogen bonding for pyridine, 2-propanol, and water, OH-π interactions for benzene, and CH-O interactions for n-hexane. All molecules considered are more strongly bound to the hydrophilic alumina face, rather than the hydrophobic siloxane face, of kaolinte. PMID:26593201

  1. Chemical isomeric effects on propanol glassy structures

    Cuello, G J; Bermejo, F J; Cabrillo, C

    2002-01-01

    We have studied the structure of both propanol isomers in their glassy and crystalline states by neutron diffraction. The glass-transition temperatures of 1- and 2-propanol are about 98 and 115 K, respectively and, surprisingly, even larger differences are observed for the melting temperatures of the stable crystals, which are 148 and 185 K, respectively. Their supercooled liquid phases show rather different relaxation spectra, 1-propanol manifesting strong deviations from Debye behavior, whereas 2-propanol shows a far weaker effect. We discuss the spectra obtained for the static structure factor and the static pair correlation function D(r). There is a noticeable difference in the position of the first sharp diffraction peak, which clearly indicates a density change, well correlated with the period of the intermolecular oscillations shown by D(r). (orig.)

  2. Pulse radiolysis of malachite green leucocyanide in alcoholic solvents, the influence of oxygen

    The solutions of malachite green leucocyanide (MGCN) in methanol, n-propanol and 2-propanol were investigated using pulse radiolysis. In the presence of oxygen, MG+-carbonium ions were radiolytically formed in two different time steps. The yield of MG+ in the slower process was dependent on oxygen concentration and was proportional to the yield of intermediate MG radicals. The yield of MG was about ten times higher in 2-propanol than in methanol and n-propanol solutions. The reactants responsible for MG oxidation to MG+ were RO2, hydroxyalkylperoxyl radicals derived from alcohols. The rate constant for MG reaction with RO2 were estimated as (6.5±1) x 108M-1s-1. The molar extinction coefficient of MG was calculated. (author)

  3. Effect of combinations of nitroaromatic and nitroxyl radiosensitizers on the radiation survival response of Chinese hamster cells, V.79-753B, in vitro

    The effect of various combinations of nitroaromatic (electron-affinic) and nitroxyl (free-radical) radiosensitizers on the radiation survival response of hypoxic Chinese hamster cells, V.79-753B, was studied. A bifunctional sensitizer posessing both a free-radical and an electron-affinic nitroarene, 1-[1-oxyl-2,2,6,6-tetramethyl-4-piperidy]amino-3-[2-nitro-1-imidazolyl]-2-propanol (Ro-03-9454), was also used. In all combinations tested there was evidence that there is competition between the two types of sensitizer. This competition accounts for the mixed functional compound Ro-03-9454 being less effective than the monofunctional compound RSU-4013 (1-[1-[2-cyano-2-propyl]oxy-2,2,6,6- tetramethyl-4-piperidyl]amino-3-[2-nitro-1-imidazolyl]-2-propanol), which does not have a nitroxyl group. In combinations of nitroaromatic sensitizers the situation is more complex

  4. Direct effect of tetrahedral alcohol species on the SPB of gold colloids: a deconvolution study

    Aqueous gold colloids with a mean diameter of 15.4 ± 1.5 nm have been transferred into a range of water–alcohol mixtures. The influence of these mixtures (methanol, ethanol, 2-propanol, and tert-butanol), which present different hydrophobic properties, on the surface plasmon band of gold nanoparticles has been studied. Shifts of gold nanoparticles’ surface plasmon band (SPB) depend on the number of methyl groups and hydrophobic character of the alcohol molecule. Results from deconvolution analysis are explained considering variations on the grade of alcohol adsorption on the nanoparticle surface. TEM images indicate aggregation of the nanoclusters in mixtures of 2-propanol and tert-butanol. ζ potential measurements support the exchange of citrate ions by alcohol molecules, which in turn reflects the existence of an additional electrostatic component

  5. Densities and viscosities of binary mixtures of {dimethylsulfoxide+aliphatic lower alkanols (C1-C3)} at temperatures from T=303.15K to T=323.15K

    Densities and viscosities for dimethylsulfoxide (DMSO) with methanol, ethanol, 1-propanol, and 2-propanol have been measured as a function of mole fraction at T=(303.15, 308.15, 313.15, 318.15, and 323.15)K and atmospheric pressure. From the measurements, excess molar volumes (VmE), excess viscosities (ηE), and Grunberg and Nissan interaction parameters (ε) have been calculated. The excess parameters are fitted to a Redlich-Kister equation. Excess molar volumes (VmE) are negative for (DMSO+methanol, +ethanol) systems throughout the whole range of composition. The (DMSO+1-propanol) system shows both positive and negative excess molar volumes and (DMSO+2-propanol) shows positive excess molar volume, hardly any negative value is observed in alcohol rich-region. The excess viscosities and interaction parameters of all the mixtures are negative except for the (DMSO+methanol) system which is positive

  6. Visible-Light-Driven Selective Photocatalytic Hydrogenation of Cinnamaldehyde over Au/SiC Catalysts.

    Hao, Cai-Hong; Guo, Xiao-Ning; Pan, Yung-Tin; Chen, Shuai; Jiao, Zhi-Feng; Yang, Hong; Guo, Xiang-Yun

    2016-08-01

    Highly selective hydrogenation of cinnamaldehyde to cinnamyl alcohol with 2-propanol was achieved using SiC-supported Au nanoparticles as photocatalyst. The hydrogenation reached a turnover frequency as high as 487 h(-1) with 100% selectivity for the production of alcohol under visible light irradiation at 20 °C. This high performance is attributed to a synergistic effect of localized surface plasmon resonance of Au NPs and charge transfer across the SiC/Au interface. The charged metal surface facilitates the oxidation of 2-propanol to form acetone, while the electron and steric effects at the interface favor the preferred end-adsorption of α,β-unsaturated aldehydes for their selective conversion to unsaturated alcohols. We show that this Au/SiC photocatalyst is capable of hydrogenating a large variety of α,β-unsaturated aldehydes to their corresponding unsaturated alcohols with high conversion and selectivity. PMID:27403658

  7. Deuterium labeling studies in the transfer hydrogenation of ketones and in the disproportionation of diphenylcarbinol over alumina

    Paper describes deuterium labeling studies which confirm the direct hydrogen transfer mechanism for the transfer hydrogenation of ketones as well as for the disproportionation and the transfer hydrogenolysis of diphenylcarbinol. Methods for the preparation of diphenylcarbinol-d and 2-propanol-2-d are described. Diphenylmethane-d and diphenylmethane-d2 were prepared as standards for product identification purposes. 2-Propanol-2-d of 92% isotopic purity was used to reduce 4-methyl-2-pentanone and cyclohexanone over 2.2% Na+/Al2O3 at 3000C. Reaction products were 4-methyl-2-pentanol and cyclohexanol. Disproportionation of diphenylcarbinol produced diphenylamine, benzophenone, and water, over pure alumina at 3000C. Reaction products were analyzed by gas chromatography, and pure samples were isolated by preparative gas chromatography. Isotopic purities were estimated by ir, NMR, and mass spectrometry. A somewhat speculative representation of the direct hybrid transfer mechanism is considered

  8. CHEMICAL REACTIONS AT NANOMETAL PARTICLES

    GALO CÁRDENAS-TRIVIÑO

    2005-01-01

    The concept of nanochemistry and the reactions involved are discussed. The work is focused on nanoparticles obtained from colloidal dispersions. The colloidal particles by transmission electron microscopy of low and high resolution were analyzed. The high resolution electron miscroscopy (HRTEM) allow us to classify the nanostructure of the metal particles in some polyhedral models: cubooctahedron, truncated octahedron, tetracai decahedron and icosahedron. Some HRTEM of Pd-2 propanol and Ge-2-...

  9. Design, synthesis and antifungal activity of novel triazole derivatives

    Qing lie Zhao; Yan Song; Hong Gang Hu; Shi Chong Yu; Qiu Ye Wu

    2007-01-01

    Twenty-three 1 -(1H-1,2,4-triazole-1-yl)-2-(2,4-difluorophenyl)-3-(N-cycloproyl-N-substituted-amino)-2-propanols were designed and synthesized on the basis of the active site of lanosterol 14α-demethylase.In vitro antifungal activities showed that some of the title compounds had higher antifungal activity and broader antifungal spectrum than fluconazole.

  10. Enhanced bioactivity of ZnO nanoparticles—an antimicrobial study

    Nagarajan Padmavathy and Rajagopalan Vijayaraghavan

    2008-01-01

    In this study, we investigate the antibacterial activity of ZnO nanoparticles with various particle sizes. ZnO was prepared by the base hydrolysis of zinc acetate in a 2-propanol medium and also by a precipitation method using Zn(NO3)2 and NaOH. The products were characterized by x-ray diffraction (XRD) analysis, transmission electron microscopy (TEM) and photoluminescence (PL) spectroscopy. Bacteriological tests such as minimum inhibitory concentration (MIC) and disk diffusion were performed...

  11. Preparation of PtRu/C and PtSn/C electrocatalysts using electron beam irradiation for direct and ethanol fuel cell

    PtRu/C and PtSn/C electrocatalysts were prepared using electron beam irradiation. The metal ions were dissolved in water/2-propanol and water/ethylene glycol solutions and the carbon support was added. The resulting mixtures were irradiated under stirring. The effect of water/ethylene glycol and water/2-propanol (v/v) ratio, Pt:Ru and Pt:Sn atomic ratios, the irradiation time and dose rate were studied. The obtained materials were characterized by Energy dispersive analysis of X-rays (EDX), X-ray diffraction (XRD), cyclic voltammetry (CV) and Moessbauer spectroscopy. The electro-oxidation of methanol and ethanol were studied by cyclic voltammetry and chronoamperometry using the thin porous coating technique. The electrocatalysts were also tested on the Direct Methanol and Ethanol Fuel Cells. PtRu/C electrocatalysts prepared in water/ethylene glycol showed Pt:Ru atomic ratios different from the nominal ones. The results suggested that part of the Ru(III) ions were not reduced. The obtained materials showed the face-centered cubic (fcc) structure of Pt and Pt alloys with crystallite sizes of 2-3 nm. PtRu/C electrocatalysts prepared in water/2-propanol showed Pt:Ru atomic ratios similar to the nominal ones. The obtained materials also showed the fcc structure of platinum and platinum alloys with crystallite sizes of 3-4 nm. PtSn/C electrocatalysts prepared in water/ethylene glycol and water/2-propanol showed Pt:Sn atomic ratios similar to the nominal ones. The obtained materials showed the platinum (fcc) phase with crystallite sizes in the range of 2 - 4 nm and a SnO2 (cassiterite) phase. The obtained PtRu/C and PtSn/C electrocatalysts showed similar or superior performance for methanol and ethanol electro-oxidation compared to commercial PtRu/C (E-TEK) and PtSn/C (BASF) electrocatalysts. (author)

  12. PREPARED POTASSIUM SALT OF CARBOXYMETHYL PINE WOOD IN A MICROWAVE

    Вадим Иванович Маркин; Марина Юрьевна Чепрасова; Наталья Григорьевна Базарнова; Евгения Олеговна Фролова

    2013-01-01

    Microwave radiation to intensify the process of carboxymethylation of pine wood without prior separation of the individual components is proposed to use . Carboxymethylated pine wood in the form of the potassium salt obtained by treating the pine potassium hydroxide and monochloroacetic acid in 2-propanol . Composition and properties of the products were investigated . Carboxymethylcellulose isolated from carboxymethylated pine wood. Increasing the power of microwave radiation (210 to 700 W) ...

  13. Effect of acids and bases on electrophoretic deposition of

    Cihlář, J.; Drdlík, D.; Cihlářová, Z.; Hadraba, Hynek

    2013-01-01

    Roč. 33, č. 10 (2013), s. 1885-1892. ISSN 0955-2219 R&D Projects: GA MŠk(CZ) ED1.1.00/02.0068; GA ČR GD106/09/H035 Institutional support: RVO:68081723 Keywords : Electrophoretic deposition * Zirconia * Alumina * 2-Propanol * Electrosteric stabilization Subject RIV: JH - Ceramics, Fire-Resistant Materials and Glass Impact factor: 2.307, year: 2013

  14. Hydroxymethylation beyond Carbonylation: Enantioselective Iridium-Catalyzed Reductive Coupling of Formaldehyde with Allylic Acetates via Enantiotopic π-Facial Discrimination.

    Garza, Victoria J; Krische, Michael J

    2016-03-23

    Chiral iridium complexes modified by SEGPHOS catalyze the 2-propanol-mediated reductive coupling of branched allylic acetates 1a-1o with formaldehyde to form primary homoallylic alcohols 2a-2o with excellent control of regio- and enantioselectivity. These processes, which rely on enantiotopic π-facial discrimination of σ-allyliridium intermediates, represent the first examples of enantioselective formaldehyde C-C coupling beyond aldol addition. PMID:26958737

  15. Gas-chromatographic analysis of some volatile congeners in different types of strong alcoholic fruit spirits

    Kostik, Vesna; Memeti, Shaban; Bauer, Biljana

    2013-01-01

    Beside ethyl alcohol, the major active component of alcoholic beverages, almost all alcoholic drinks contain volatile and non-volatile substances called congeners. They are present in different concentrations depending on beverage type and manufacturing methods. In the current study, the major volatile compounds besides ethanol as: methanol, ethyl acetate, 1-propanol (n-propanol), 2-propanol (i-propanol), 1-butanol(n-butanol), i-butanol (2-methylpropan-1-ol), n-amyl alcohol (n-pentanol), i-am...

  16. Liquid-liquid extraction and adsorption on solid surfaces applied to used lubricant oils recovery

    J. L. Assunção Filho; L. G. M. Moura; A.C.S. RAMOS

    2010-01-01

    In this work, the recovery of base oils from waste lubricants following the steps of solvent extraction, adsorption on solids and solvent removal by evaporation was evaluated. In the step of solvent extraction, the most efficient was 1-butanol, followed by tert-butanol, 2-propanol and ethanol; for the step of adsorption, activated carbon was the most effective solid for PAH removal, confirming the similarity of these compounds with petroleum aromatic fractions. Thus, the optimum solvent-adsor...

  17. Novel pot-shaped carbon nanomaterial synthesized in a submarine-style substrate heating CVD method

    Yokoi, Hiroyuki; Hatakeyama, Kazuto; Taniguchi, Takaaki; Koinuma, Michio; Hara, Masahiro; Matsumoto, Yasumichi; ヨコイ, ヒロユキ; ハタケヤマ, カズト; タニグチ, タカアキ; コイヌマ, ミチオ; ハラ, マサヒロ; マツモト, ヤスミチ; 横井, 裕之; 畠山, 一翔; 谷口, 貴章

    2016-01-01

    We have developed a new synthesis method that includes a chemical vapor deposition process in a chamber settled in organic liquid, and applied its nonequilibrium reaction field to the development of novel carbon nanomaterials. In the synthesis at 1110-1120 K, using graphene oxide as a catalyst support, iron acetate and cobalt acetate as catalyst precursors, and 2-propanol as a carbon source as well as the organic liquid, we succeeded to create carbon nanofiber composed of novel pot-shaped uni...

  18. Penggunaan Karboksimetil Kitosan Dari Cangkang Belangkas (Tachypleus Gigas) Sebagai Adsorben Untuk Menurunkan Konsentrasi Logam Pb

    Ananda, Fatya

    2015-01-01

    Reaserch has been done on the using of carboxymethyl chitosan from horseshoe crab’s shells (Tachypleus gigas) as adsorbent to reduce concentration of Pb metal. Carboxymethyl chitosan was made by reacting chitosan sample with NaOH 40 % and monochloroacetic acid which dispersed in 2-propanol for 10 hours at room temperature that results in carboxymethyl chitosan shown by functional groups using FTIR. On the adsorption process using standard solution of Pb with concentration of 5 mg/L and variat...

  19. Washcoated Pd/Al2O3 monoliths for the liquid phase hydrodechlorination of dioxins

    Cobo, Martha; Orrego, Andrés; Conesa Ferrer, Juan Antonio

    2012-01-01

    The catalytic activity and durability of 2 wt.% Pd/Al2O3 in powder and washcoated on cordierite monoliths were examined for the liquid phase hydrodechlorination (LPHDC) of polychlorinated dibenzo-p-dioxins/polychlorinated dibenzofurans (PCDD/Fs), also known as dioxins. NaOH was employed as a neutralizing agent, and 2-propanol was used as a hydrogen donor and a solvent. Fresh and spent powder and monolith samples were characterized by elemental analysis, surface area, hydrogen chemisorption, s...

  20. Magnetic susceptibilities of bynary non-electrolyte mixtures

    Molar magnetic susceptibilities are determined by the Goy method for the following two systems: 1-propanol + methyl acetate and 2-propanol + methyl acetate at 298 K where the three molecules are polar and the alcohol molecules are associated in their pure state. Excess diamagnetic susceptibilties are calculated to obtain information about possible interactions. Diamagnetic suscetibilities were related with molecular polarizabilities by Boyer-Donzelot's equation and compared with experimental results. (author)

  1. Systematic study of the thermal diffusion in associated mixtures

    Polyakov, P.; Wiegand, S.

    2008-01-01

    We performed systematic temperature and concentration dependent measurements of the Soret coefficient in different associated binary mixtures of water, deuterated water, dimethyl sulfoxide (DMSO), methanol, ethanol, acetone, methanol, 1-propanol, 2-propanol, and propionaldehyde using the so-called thermal diffusion forced Rayleigh scattering method. For some of the associating binary mixtures such as ethanol/water, acetone/water, and DMSO/water, the concentration xw+/- at which the Soret coef...

  2. A 2D [Fe-II-bistetrazole] coordination polymer exhibiting spin-crossover properties

    Quesada, Manuel; Prins, Ferry; Roubeau, Olivier; Gamez, Patrick; Teat, Simon J.; van Koningsbruggen, Petra J.; Haasnoot, Jaap G.; Reedijk, Jan

    2007-01-01

    The reaction of 1,3-bis(tetrazol-1-yl)-2-propanol (btzpol) with Fe(BF4)(2) center dot 6H(2)O in acetonitrile yields the remarkable 2D coordination polymer [Fe-II(btzpol)(1.8)(btzpol-OBF3)(1.2)](BF4)(0.8) center dot (H2O)(0.8)(CH3CN) (1). This compound has been structurally characterized using an X-r

  3. Catalysis in the alkylation reaction of 1-naphthol with epichlorohydrin

    SLOBODANKA JOVANOVIC

    2006-09-01

    Full Text Available Two new and improved procedures were developed for the synthesis of 1-(1-naphthyloxy-2,3-epoxypropane as an important intermediate in the production of the beta-blocker and antioxidant, 1-[(1-methylethylamino]-3-(1-naphthyloxy-2-propanol (propranolol. Both base homogeneous and heterogeneous PTC catalysis were employed. High yields and remarkable selectivity were achieved. The improved purity is particularly important, in view of the quality requirements for propranolol hydrochloride as an active pharmaceutical ingredient.

  4. Green solvents from glycerol. Synthesis and physico-chemical properties of alkyl glycerol ethers

    García, José I.; García-Marín, Héctor; Mayoral, José A.; Pérez, Pascual

    2010-01-01

    A family of glycerol derivatives, consisting of over sixty 1,3-dialkoxy-2-propanols and 1,2,3-trialkoxypropanes, both symmetrically and unsymmetrically substituted at terminal positions, have been synthesized and the possible role of these glycerol derivatives as substitutive solvents has been evaluated through measurements of their physico-chemical properties. The molecular diversity of the derivatives prepared results in significant variations of polarity properties, facilitating the identi...

  5. Sonochemiluminescence of lucigenin: Evidence of superoxide radical anion formation by ultrasonic irradiation

    Matsuoka, Masanori; Takahashi, Fumiki; Asakura, Yoshiyuki; Jin, Jiye

    2016-07-01

    The sonochemiluminescence (SCL) behavior of lucigenin (Luc2+) has been studied in aqueous solutions irradiated with 500 kHz ultrasound. Compared with the SCL of a luminol system, a tremendously increased SCL intensity is observed from 50 µM Luc2+ aqueous solution (pH =11) when small amounts of coreactants such as 2-propanol coexist. It is shown that SCL intensity strongly depends on the presence of dissolved gases such as air, O2, N2, and Ar. The highest SCL intensity is obtained in an O2-saturated solution, indicating that molecular oxygen is required to generate SCL. Since SCL intensity is quenched completely in the presence of superoxide dismutase (SOD), an enzyme that can catalyze the disproportionation of O2 •‑, the generation of O2 •‑ in the ultrasonic reaction field is important in the SCL of Luc2+. In this work, the evidence of O2 •‑ production is examined by a spectrofluorometric method using 2-(2-pyridyl)benzothiazoline as the fluorescent probe. The results indicate that the yield of O2 •‑ is markedly increased in the O2-saturated solutions when a small amount of 2-propanol coexists, which is consistent with the results of SCL measurements. 2-Propanol in the interfacial region of a cavitation bubble reacts with a hydroxyl radical (•OH) to form a 2-propanol radical, CH3C•(OH)CH3, which can subsequently react with dissolved oxygen to generate O2 •‑. The most likely pathways for SCL as well as the spatial distribution of SCL in a microreactor are discussed in this study.

  6. 1-(Piperidin-1-yl)-3-(2,4,6-trimethyl-phen-yl)propan-2-ol.

    Maharramov, Abel M; Khalilov, Ali N; Gurbanov, Atash V; Allahverdiyev, Mirze A; Ng, Seik Weng

    2011-01-01

    The title compound, C(17)H(27)NO, features a bufferfly-shaped substituted 2-propanol having an aromatic ring on the 1-carbon and a piperidine ring on the 3-carbon. The piperidine ring adopts a chair conformation and its N atom shows a trigonal coordination. In the crystal, the hy-droxy group inter-acts with the N atom of an inversion-related mol-ecule, generating an O-H⋯N hydrogen-bonded dimer. PMID:21522478

  7. 1-(Piperidin-1-yl)-3-(2,4,6-trimethyl­phen­yl)propan-2-ol

    Maharramov, Abel M.; Ali N. Khalilov; Atash V. Gurbanov; Allahverdiyev, Mirze A.; Ng, Seik Weng

    2011-01-01

    The title compound, C17H27NO, features a bufferfly-shaped substituted 2-propanol having an aromatic ring on the 1-carbon and a piperidine ring on the 3-carbon. The piperidine ring adopts a chair conformation and its N atom shows a trigonal coordination. In the crystal, the hy­droxy group inter­acts with the N atom of an inversion-related mol­ecule, generating an O—H⋯N hydrogen-bonded dimer.

  8. Study of radiation chemistry of onium salt acid generators for microlithographic application

    In this study, we investigated methods to improve chemically amplified resists for microlithographic application. For the solutions of onium salts in various solvents, the amounts of generated acid after γ-ray irradiation were measured using a pH meter. A solution of iodonium salt in 2-propanol had the highest efficiency in acid generation. The results could be evaluated by Gibbs free energy of the reactions. (author)

  9. Thermal Decomposition Reaction of Acetophenone Cyclic Diperoxide in Solvents of Different Physicochemical Properties

    C. M. Mateo

    2000-03-01

    Full Text Available The thermal decomposition reaction of acetophenone cyclic diperoxide (trans-3,6-dimethyl-3,6-diphenyl-1,2,4,5-tetroxane; APDP at the initial concentration of c.a. 0.01 mol kg-1 and temperature ranges of 135.5 to 185.0° C has been investigated in dioxane and acetonitrile solutions, and in an 2-propanol/benzene mixture.

  10. Alcohol and water adsorption in zeolitic imidazolate frameworks

    Zhang, Ke

    2013-01-01

    Alcohol (methanol, ethanol, 1-propanol, 2-propanol and 1-butanol) and water vapor adsorption in zeolitic imidazolate frameworks (ZIF-8, ZIF-71 and ZIF-90) with similar crystal sizes was systematically studied. The feasibility of applying these ZIF materials to the recovery of bio-alcohols is evaluated by estimating the vapor-phase alcohol-water sorption selectivity. © 2013 The Royal Society of Chemistry.

  11. Re-Refining of Waste Lubricating Oil by Solvent Extraction

    Hassan Ali Durrani; Muhammed Ibrahim Panhwar; Rafique Akthar Kazi

    2011-01-01

    Re-refining of waste lubricating oil by solvent extraction is one of the potential techniques. The advantages of solvent extraction technique practically offers from environmental and economic points of view have received due attention. In this paper selection of composite solvent and technique to upgrade the used lubricant oil into base oil has been made. The composite solvent 2-propanol, 1-butanol and butanone have two alcohols that make a binary system reasonably effective. ...

  12. Determining an Efficient Solvent Extraction Parameters for Re-Refining of Waste Lubricating Oils

    Hassan Ali Durrani; Muhammed Ibrahim Panhwar; Rafique Akthar Kazi

    2012-01-01

    Re-refining of vehicle waste lubricating oil by solvent extraction is one of the efficient and cheapest methods. Three extracting solvents MEK (Methyl-Ethyl-Ketone), 1-butanol, 2-propanol were determined experimentally for their performance based on the parameters i.e. solvent type, solvent oil ratio and extraction temperature. From the experimental results it was observed the MEK performance was highest based on the lowest oil percent losses and highest sludge removal. Further, w...

  13. (Vapor + liquid) equilibria of the binary mixtures of m-cresol with C1-C4 aliphatic alcohols at 95.5 kPa

    Bubble point temperatures at 95.5 kPa, over the entire composition range, are measured for the binary mixtures formed by m-cresol with: methanol, ethanol, 1-propanol, 2-propanol, and n-, iso-, sec-, and tert-butanols - using a Swietoslawski-type ebulliometer. The liquid phase composition - bubble point temperature measurements are well represented by the Wilson model. (Vapor + liquid) equilibria predicted from the model are presented

  14. Shot-noise limited detection sensitivity in multiplex CARS microscopy

    Müller, M; Schins, J.M.; Wurpel, G.W.H.

    2004-01-01

    In multiplex CARS microscopy the generated anti-Stokes signal is generated and detected simultaneously over a significant part of the vibrational spectrum. The signal-to-noise ratio of the thus detected spectra is limited only by shot-noise. This principle is demonstrated using a dilution series of 2-propanol in water. It is derived theoretically and shown experimentally that for low solute concentrations - in contrast to methods that suppress the non-resonant background - the CARS signal str...

  15. Determination of some volatile compounds in fruit spirits produced from grapes (Vitis Vinifera L.) and plums (Prunus domestica L.) cultivars

    Kostik, Vesna; Gjorgjeska, Biljana; Angelovska, Bistra; Kovacevska, Ivona

    2014-01-01

    Fruit spirits contain a large array of volatile compounds among which the important role from toxicological aspect besides ethanol has methanol, aliphatic esters and fusel alcohols. This study evaluates the content of ethanol, ethyl acetate, methanol, isopropyl alcohol (2-propanol), n-propyl alcohol (propan-l-ol), isobutyl alcohol (2-methylpropan-1-ol), n-butyl alcohol (1-butanol), isoamyl alcohol (3-methyl-1-butanol) and n-amyl alcohol (pentan-1-ol) in different grapes and plum brandies i...

  16. Reaction Mechanism and Kinetics of Aqueous Solutions of Primary and Secondary Alkanolamines and Carbon Dioxide

    BAVBEK, Olgac; ALPER, Erdoğan

    1999-01-01

    The mechanism and kinetics of the reaction between aqueous solutions of CO2 and the alkanolamines 1-amino-2-propanol, 3-amino-1-propanol,2-methyl aminoethanol and 2-ethyl aminoethanol were investigated using a stopped flow technique. It was found that the reaction orders according to power law kinetics were between 1.1 and 2.0, depending on the alkanolamine and the concentration ranges investigated. This fractional order was therefore considered to be further evidence that carbamate ...

  17. Rapid Estimation of Tocopherol Content in Linseed and Sunflower Oils-Reactivity and Assay

    Tjaša Prevc

    2015-08-01

    Full Text Available The reactivity of tocopherols with 2,2-diphenyl-1-picrylhydrazyl (DPPH was studied in model systems in order to establish a method for quantifying vitamin E in plant oils. The method was optimized with respect to solvent composition of the assay medium, which has a large influence on the course of reaction of tocopherols with DPPH. The rate of reaction of α-tocopherol with DPPH is higher than that of γ-tocopherol in both protic and aprotic solvents. In ethyl acetate, routinely applied for the analysis of antioxidant potential (AOP of plant oils, reactions of tocopherols with DPPH are slower and concentration of tocopherols in the assay has a large influence on their molar reactivity. In 2-propanol, however, two electrons are exchanged for both α- and γ-tocopherols, independent of their concentration. 2-propanol is not toxic and is fully compatible with polypropylene labware. The chromatographically determined content of tocopherols and their molar reactivity in the DPPH assay reveal that only tocopherols contribute to the AOP of sunflower oil, whereas the contribution of tocopherols to the AOP of linseed oil is 75%. The DPPH assay in 2-propanol can be applied for rapid and cheap estimation of vitamin E content in plant oils where tocopherols are major antioxidants.

  18. Influence of solvent on the structural and morphological properties of AgI particles prepared using ultrasonic spray pyrolysis

    Silver iodide particles were synthesized in the process of ultrasonic spray pyrolysis using aqueous solutions of thermodynamically stable silver iodide clusters as precursor. The AgI particles were collected in solvents of different polarities such as water, 2-propanol and toluene. In order to study influence of solvent and aging time on the morphological and structural properties of the AgI particles ultra-filtration was employed to isolate solid material from solution. The scanning electron microscopy showed that morphology of the AgI particles is different for different solvents. The AgI particles with hexagonal/triangular shape were obtained in water and toluene, while in 2-propanol hollow spheres were formed. The X-ray diffraction analysis, besides wurtzite hexagonal and zinc blende cubic phases, revealed appearance of tetragonal high-pressure AgI modification for sample collected in toluene and for sample aged in 2-propanol. The aging in toluene induced transformation of all three modifications into single phase with one preferred orientation

  19. Effect of liquid additives in supercritical fluid deposition of copper for enhancing deposition chemistry

    Four liquid chemical reagents (ethanol, 2-propanol, hydrogen peroxide, and formic acid) were evaluated as reducing agents for supercritical fluid deposition of Cu (Cu-SCFD) using bis(2,2,6,6-tetramethyl-3,5-heptanedionato)copper as a precursor onto a Ru-coated Si substrate for ultra large scale integration metallization. Deposition was carried out using a batch-type reactor and heating the substrate from 40 deg. C to 250 deg. C at a rate of 4.5 deg. C /min. 2-propanol and hydrogen peroxide yielded Cu grains, but not a continuous Cu film. Only formic acid yielded a high-purity continuous film. Solvent effect of two chemical reagents (ethanol and 2-propanol) on Cu-SCFD with H2 as a reducing agent was also investigated by using in situ method, in which optical reflectivity of growing surface at wavelength of 770 nm was used. Ethanol addition enhanced the deposition reaction without degrading both the surface morphology and high purity of the deposited Cu film

  20. Ammonium hydroxide (NH{sub 4}OH) as etch-stop chemical for highly boron-doped silicon {delta}-layers

    Hammer, Oliver; Palitschka, Florian; Lochner, Helmut; Kubot, Tina; Kulaga-Egger, Dorota; Beckmeier, Daniel; Axt, Carolin; Biba, Josef; Schindler, Ronny; Dressler, Marc; Sulima, Torsten; Hansch, Walter [Universitaet der Bundeswehr Muenchen, Institut fuer Physik, Neubiberg (Germany)

    2010-07-01

    The downscaling process in current microelectronics results in smaller devices and thinner layers. A proper etch-stop for such thin layers, e.g. boron-doped {delta}-layer (<10nm) in a vertical device, becomes more and more challenging. Therefore an etchant with an exceedingly high selectivity to boron-doped silicon is needed. Only two wet-chemical silicon etchants, TMAH and the not common NH{sub 4}OH, are capable for CMOS technology and are not too highly toxic. The major advantage of NH{sub 4}OH in comparison to TMAH is its high selectivity of 1:8000 for intrinsic silicon with respect to boron-doped silicon. The disadvantages are formation of hillocks and more pronounced surface roughness compared to TMAH. We optimize etching parameters by variation of the etch temperature, the concentration of NH{sub 4}OH in water and the ratio of 2-propanol in the solution to achieve an etch-stop at a {delta}-layer without breaking it. Recent experiments show that a solution of TMAH and 2-propanol decreases the surface roughness and the formation of hillocks. Due to this we also perform tests with 2-propanol in a NH{sub 4}OH solution. Finally we etch a bulk unipolar device (BUD) to determine the electrical characteristics of the exposed {delta}-layer.

  1. Photo-oxidation of organic compounds in liquid low-level mixed wastes at the INEL

    A bench-scale oxidation apparatus is implemented to study the effectiveness of using an artificial ultraviolet source, a 175-watt medium pressure mercury vapor lamp, to enhance the destruction of organic contaminants in water with chemical oxidants. The waste streams used in this study are samples or surrogates of mixed wastes at the Idaho National Engineering Laboratory. The contaminants that are investigated include methylene chloride, 1,1,1-trichlorethane, 1, 1-dichlororethane, acetone, 2-propanol, and ethylenediamine tetraacetic acid. We focus on H2O2-based oxidizers for our treatment scheme, which include the UV/H2O2 system, the dark Fenton system (H2O2/Fe2+), and the photo- assisted Fenton system (UV/H2O2/Fe3+) is used in particular. Variables include concentration of the chemical oxidizer, concentration of the organic contaminant, and the elapsed reaction time. Results indicate that the photo-assisted Fenton system provides the best overall performance of the oxidizing systems listed above, where decreases in concentrations of methylene chloride, 1,1,1- trichloroethane, 1,1-dichlororethane, 2-propanol, and ethylenediamine tetraacetic acid were seen. However, UV-oxidation treatment provided no measurable benefit for a mixed waste containing acetone in the presence of 2-propanol

  2. Alcohol--Induced Polyelectrolyte-Surfactant Complex Coacervate Systems: Characterization and Applications in Enzyme and Protein Extraction

    Nejati Moshtaghin, Mahboubeh

    of FA, oppositely charged amphiphiles (surfactant-polyelectrolyte), and the charge ratio of the surfactant-polyelectrolyte on the extent of coacervation have been investigated. Furthermore, the chemical composition of each phase formed in the coacervate system was determined as a function of HFIP percentage. Phase diagrams of HFIP-PMA-CTAB and 2-propanol-PMA-CTAB were studied. The phase separation occurs over a wide range of polyelectrolyte, surfactant and alcohol concentration. In addition, a study of the dependence of coacervate volume on phase composition in different system (as defined by concentrations and mole charge ratio of amphihiles and alcohols) provided useful insight about possible underlying interactions and mechanisms. It has been concluded that neutralization favors coacervation in both systems. However, according to the compositional analysis of both HFIP and 2-propanol SPCC system, it seems that coacervation mechanisms are different. In Chapter III the properties of 2-propanol--SPCC, with analogous surfactant (CTAB) and polyelectrolyte (PMA) used in Chapter II, will be investigated. In particular, we are interested in examining the difference between the phase separation characteristics of the coacervates induced by 2-propanol and HFIP as coacervator. For this purpose, the phase behavior and the chemical composition of the phases will be analyzed as a function of 2-propanol and constituents concentrations. Chapter IV contains results of our investigations on the activity of a model enzyme (Trypsin) in 2-propanol- and FA-induced SPCC system. These investigations will facilitate understanding whether the aliphatic alcohol, AA- and FA-induced SPCC system denature the model enzymes. Such investigations also help in evaluation of the applicability of the coacervate systems developed in this work in proteomics where the proteolytic activity of enzymes is used for protein digestion. Finally, in Chapter V, the efficiency of the coacervate system (2-propanol

  3. Chemical strategies for modifications of the solar cell process, from wafering to emitter diffusion; Chemische Ansaetze zur Neuordnung des Solarzellenprozesses ausgehend vom Wafering bis hin zur Emitterdiffusion

    Mayer, Kuno

    2009-11-06

    The paper describes the classic standard industrial solar cell based on monocrystalline silicon and describes new methods of fabrication. The first is an alternative wafering concept using laser microjet cutting instead of multiwire cutting. This method originally uses pure, deionized water; it was modified so that the liquid jet will not only be a liquid light conductor but also a transport medium for etching fluids supporting thermal abrasion of silicon by the laser jet. Two etching fluids were tested experimentally; it was found that water-free fluids based on perfluorinated solvents with very slight additions of gaseous chlorine are superior to all other options. In the second section, the wet chemical process steps between wafering and emitter diffusion (i.e. the first high-temperature step) was to be modified. Alternatives to 2-propanol were to be found in the experimental part. Purification after texturing was to be rationalized in order to reduce the process cost, either by using less chemical substances or by achieving shorter process times. 1-pentanol and p-toluolsulfonic acid were identified as two potential alternatives to 2-propanol as texture additives. Finally, it could be shown that wire-cut substrates processed with the new texturing agents have higher mechanical stabilities than substrates used with the classic texturing agent 2-propanol. [German] Im ersten Kapitel wird die klassische Standard-Industrie-Solarzelle auf der Basis monokristallinen Siliziums vorgestellt. Der bisherige Herstellungsprozess der Standard-Industrie-Solarzelle, der in wesentlichen Teilen darauf abzielt, diese Verluste zu minimieren, dient als Referenz fuer die Entwicklung neuer Fertigungsverfahren, wie sie in dieser Arbeit vorgestellt werden. Den ersten thematischen Schwerpunkt bildet die Entwicklung eines alternativen Wafering-Konzeptes zum Multi-Drahtsaegen. Die Basis des neuen, hier vorgestellten Wafering-Prozesses bildet das Laser-Micro-Jet-Verfahren. Dieses System

  4. Electron solvation in liquid alcohols. Effect of microscopic liquid structure

    Complete text of publication follows. Numerous theoretical works show that excess electrons in polar liquids can localize in cavities in which the surrounding solvent molecules create an attractive potential well. These cavities are called the pre-existing traps. Existence of the preformed traps in liquids is also suggested by results of the femtosecond time-resolved studies on the solvated electron. Thus, theoretical description of the pre-existing traps in various liquids is important for understanding the process of primary electron localization in these media. In the present work the structure of liquid alcohols, obtained by computer simulation, has been analyzed in order to identify the regions that can serve as pre-existing sites for primary localization of an excess electron. The calculations were performed for two alcohols: 1-propanol and 2-propanol, at 298 K. Configurations of molecules for each liquid sample were generated in a classical Molecular Dynamics Simulations. The static and dynamical properties of the traps have been investigated and described in terms of the statistical distributions of their geometrical parameters and their lifetimes, respectively. Moreover, we have connected these properties with the local structure of the medium around the traps. Our general conclusions are as follows: (1) electron traps in 1-propanol (generally in primary alcohols) are deeper in comparison with traps in 2-propanol (secondary alcohols), (2) electron solvation process in 1-propanol, in contrast to 2-propanol, does not involve breaking of hydrogen bonding net, (3) and they are consistent with the experimental results of Zhang et al. (Radiat. Phys. Chem., 1999, 54, 433) for electrons localized in those matrices

  5. Radiolytic dechlorination of polychlorinated biphenyls in transformer oil and in marine sediment

    Radiolytic dechlorination of polychlorinated biphenyls (PCBs) in transformer oil and in marine sediments has been studied. At low PCB concentrations, complete degradation of the PCBs in transformer oil was achieved without degradation of the oil. Addition of an organic base, triethylamine, enhances the radiolytic dechlorination yield. The mechanism of dechlorination has been shown to involve electron transfer to PCBs from various aromatic radical anions formed in the irradiated oil. At high PCB concentrations, large amounts of triethylamine were necessary to achieve complete radiolytic dechlorination. Preliminary results on PCB-contaminated marine sediments demonstrate that addition of 2-propanol to the sediment/water slurry increases the effectiveness of the electron beam treatment

  6. Polymerization of cardanol using soybean peroxidase and its potential application as anti-biofilm coating material.

    Kim, Yong Hwan; An, Eun Suk; Song, Bong Keun; Kim, Dong Shik; Chelikani, Rahul

    2003-09-01

    Soybean peroxidase (20 mg) catalyzed the oxidative polymerization of cardanol in 2-propanol/phospate buffer solution (25 ml, 1:1 v/v) and yielded 62% polycardanol over 6 h. Cobalt naphthenate (0.5% w/w) catalyzed the crosslinking of polycardanol and the final hardness of crosslinked polycardanol film exceeded 9 H scale as pencil scratch hardness, which shows a high potential as a commercial coating material. In addition, it showed an excellent anti-biofouling activity to Pseudomonas fluorescens compared to other polymeric materials such as polypropylene. PMID:14571976

  7. Mixing properties of binary mixtures presenting azeotropes at several temperatures

    Experimental densities, speeds of sound, and refractive indices of the binary mixtures presenting azeotropes of (ethanol with hexane or heptane or 2-butanone) and (2-propanol with 2-butanone or ethylacetate or cyclohexane) were determined from T = (293.15 to 303.15) K. Excess molar volumes, changes of refractive index on mixing and deviations in isentropic compressibility for the above systems were calculated. A function of the mole fraction and temperature polynomial equation was used to fit these quantities. The standard deviations between experimental and calculated values are shown

  8. Solubility of pyrene in binary alcohol + cyclohexanol and alcohol + 1-pentanol solvent mixtures at 299.2 K

    McHale, M.E.R.; Horton, A.S.M.; Padilla, S.A.; Trufant, A.L.; De La Sancha, N.U.; Vela, E.; Acree, W.E. Jr. [Univ. of North Texas, Denton, TX (United States). Dept. of Chemistry

    1996-11-01

    Experimental solubilities are reported for pyrene dissolved in five binary alcohol + cyclohexanol and seven binary alcohol + 1-pentanol solvent mixtures at 26 C. Alcohol cosolvents include 1-propanol, 2-propanol, 1-butanol, 2-butanol, 2-methyl-1-propanol, 3-methyl-1-butanol, and 2-pentanol. Results of these measurements are used to test two mathematical representations based upon the combined nearly ideal binary solvent (NIBS)/Redlich-Kister equation and modified Wilson model. For the 12 systems studied, both equations were found to provide an accurate mathematical representation of the experimental data, with an overall average absolute deviation between measured and calculated values being on the order of 0.5%.

  9. Solubility of anthracene in binary alcohol + 2-methoxyethanol solvent mixtures

    McHale, M.E.R.; Powell, J.R.; Kauppila, A.S.M.; Acree, W.E. Jr. [Univ. of North Texas, Denton, TX (United States). Dept. of Chemistry

    1996-01-01

    Experimental solubilities are reported for anthracene dissolved in seven binary mixtures containing 2-methoxyethanol with 1-propanol, 2-propanol, 1-butanol, 2-butanol, 1-octanol, 2-methyl-1-propanol, and 3-methyl-1-butanol at 25 C. Results of these measurements are used to test two mathematical representations based upon the combined Nearly Ideal Binary Solvent (NIBS)/Redlich-Kister equation and modified Wilson model. For the seven systems studied, both equations were found to provide an accurate mathematical representation of the experimental data, with an overall average absolute deviation between measured and calculated values being on the order of 0.5%.

  10. Characterization of catalytic supports based in mixed oxides for control reactions of NO and N2O

    The catalytic supports Al2O3, La2O3 and Al2O3-La2O3 were prepared by the Precipitation and Coprecipitation techniques. The catalytic supports Al2O3, La2O3 and Al2O3-La2O3 were characterized by several techniques to determine: texture (Bet), crystallinity (XRD), chemical composition (Sem)(Ftir) and it was evaluated their total acidity by reaction with 2-propanol. The investigation will be continued with the cobalt addition and this will be evaluated for its catalytic activity in control reactions of N O and N2O. (Author)

  11. New Chiral Metal Cluster Systems for Catalytic Asymmetric Syntheses of Chiral Alcohols

    LI Yan-yun; CHEN Jian-shan; YANG Chuan-bo; DONG Zhen-rong; LI Bao-zhu; ZHANG Hui; GAO Jing-xing; TAKAO Ikariya

    2004-01-01

    The efficient chiral Ru3(CO)12 systems were prepared in situ from Ru3(CO)12 and various chiral diiminoor diamino-diphosphine tetradentate ligands. The systems have been used for the asymmetric transfer hydrogenation of propiophenone in 2-propanol, leading to 1-phenyl-1-propanol in a 98% yield and 96% e.e. The IR study suggests that the carbonyl hydride anion [HRu3(CO)11]- most probably exists as a principal species under the reaction conditions. The high chiral efficiency may be due to the synergetic effect produced by the neighboring ruthenium atoms and a special chiral micro-environment involving the polydentate ligand and the Ru3 framework.

  12. Enantioselektive Transferhydrierung mit Ruthenium(II)-Komplexen

    Henning, Frauke

    2003-01-01

    Eine Vielzahl chiraler Liganden und Komplexe wurden als Katalysatoren in der enantioselektiven Transferhydrierung von Acetophenon mit den Wasserstoffdonoren 2-Propanol und Ameisensäure getestet. Vier dreizähnige axial chirale Binaphthyle erzielen in situ mit Tris-(triphenylphosphanyl)ruthenium(II)-chlorid hohe Enantiomerenüberschüsse von bis zu 98% und Ausbeuten über 90% unter optimierten Reaktionsbedingungen. Es wird ein deutlicher OH-Effekt beobachtet, während ein NH-Effekt nicht bestätigt ...

  13. Vapour pressures and osmotic coefficients of binary mixtures of 1-ethyl-3-methylimidazolium ethylsulfate and 1-ethyl-3-methylpyridinium ethylsulfate with alcohols at T = 323.15 K

    Osmotic coefficients of binary mixtures containing alcohols (ethanol, 1-propanol, and 2-propanol) and the ionic liquids 1-ethyl-3-methylimidazolium ethylsulfate and 1-ethyl-3-methylpyridinium ethylsulfate were determined at T = 323.15 K. Vapour pressure and activity coefficients of the studied systems were calculated from experimental data. The extended Pitzer model modified by Archer, and the modified NRTL model (MNRTL) were used to correlate the experimental data, obtaining standard deviations lower than 0.012 and 0.031, respectively. The mean molal activity coefficients and the excess Gibbs free energy of the studied binary mixtures were calculated from the parameters obtained with the extended Pitzer model of Archer.

  14. Growth of gadolinium oxide this films by liquid injection MOCVD using a new gadolinium alkoxide precursor

    Thin films of neodymium oxide (Nd2O3) have been deposited on Si(100) and GaAs(100) substrates by liquid injection MOCVD using the new neodymium alkoxide, [Nd(mmp)3] (mmp = 1-methoxy-2-methyl-2-propanolate, OCMe2CH2OMe). The films were grown over a wide range of substrate temperatures (250-550 C) and were found to be of high purity, with no detectable carbon. The films exhibited the cubic C-type Nd2O3 phase or were amorphous depending on substrate temperature. (Abstract Copyright [2004], Wiley Periodicals, Inc.)

  15. Growth of praseodymium oxide and praseodymium silicate thin films by liquid injection MOCVD

    Thin films of praseodymium oxide have been deposited by liquid injection MOCVD using the volatile praseodymium alkoxide, [Pr(mmp)3] (mmp=1-methoxy-2-methyl-2-propanolate, OCMe2CH2OMe). The films were grown over a wide range of substrate temperatures (250-600 C) and were found to consist predominantly of the Pr6O11 phase. Praseodymium silicate films containing ∝ 16-22 at.-% Si were deposited over the temperature range 350-550 C using [Pr{N(SiMe3)2}3] in the absence of any additional Si source. (Abstract Copyright [2004], Wiley Periodicals, Inc.)

  16. 1-(Piperidin-1-yl)-3-(2,4,6-trimethyl­phen­yl)propan-2-ol

    Maharramov, Abel M.; Khalilov, Ali N.; Gurbanov, Atash V.; Allahverdiyev, Mirze A.; Ng, Seik Weng

    2011-01-01

    The title compound, C17H27NO, features a bufferfly-shaped substituted 2-propanol having an aromatic ring on the 1-carbon and a piperidine ring on the 3-carbon. The piperidine ring adopts a chair conformation and its N atom shows a trigonal coordination. In the crystal, the hy­droxy group inter­acts with the N atom of an inversion-related mol­ecule, generating an O—H⋯N hydrogen-bonded dimer. PMID:21522478

  17. Polycaprolactone-Chitin Nanofibrous Mats as Potential Scaffolds for Tissue Engineering

    Min Sup Kim; Sang Jun Park; Bon Kang Gu; Chun-Ho Kim

    2012-01-01

    We describe here the preparation of poly(caprolactone) (PCL)-chitin nanofibrous mats by electrospinning from a blended solution of PCL and chitin dissolved in a cosolvent, 1,1,1,3,3,3-hexafluoro-2-propanol and trifluoroacetic acid. Scanning electron microscopy showed that the neutralized PCL-chitin nanofibrous mats were morphologically stable, with a mean diameter of 340.5±2.6 nm, compared with a diameter of 524.2±12.1 nm for PCL mats. The nanofibrous mats showed decreased water contact angle...

  18. Cyclic Tetranuclear and Hexanuclear Palladium(II) Complexes and Their Host-Guest Chemistry

    Judith A. Walmsley; Zhu, Shourong; Matilla, Antonio; Donowick, Tiffanee G.; Cramp, Jessica E.; Tercero, Jose Manuel; Dalrymple, Tatyana

    2007-01-01

    Cyclic tetrameric complexes have been prepared by the reaction of Pd(en)Cl2 or Pd(dapol)Cl2, or their nitrato analogs, with Na2(5′GMP) in aqueous solution, where en = 1,2-diaminoethane, dapol = 1,3-diamino-2-propanol, 5′-GMP = guanosine 5′-monophosphate. Addition of certain small molecules containing hydrophobic groups resulted in the expansion of the tetramer to a cyclic hexamer with strong bonding of one guest per hexameric host. At pH 5-6, the guest molecule can be a cation, anion, or neut...

  19. Characterization of the Initial Reactions during the Cometabolic Oxidation of Methyl tert-Butyl Ether by Propane-Grown Mycobacterium vaccae JOB5

    Smith, Christy A.; O'Reilly, Kirk T.; Hyman, Michael R.

    2003-01-01

    The initial reactions in the cometabolic oxidation of the gasoline oxygenate, methyl tert-butyl ether (MTBE), by Mycobacterium vaccae JOB5 have been characterized. Two products, tert-butyl formate (TBF) and tert-butyl alcohol (TBA), rapidly accumulated extracellularly when propane-grown cells were incubated with MTBE. Lower rates of TBF and TBA production from MTBE were also observed with cells grown on 1- or 2-propanol, while neither product was generated from MTBE by cells grown on casein-y...

  20. Determination of water in organic solvents by flow-injection analysis with Karl Fischer reagent and a biamperometric detection system

    Liang, Chen; Vácha, Pavel; Linden, DE

    1988-01-01

    A flow-injection system with a biamperometric flow-through detector provided with two platinum plate electrodes was tested for the determination of water with a two-component pyridine-free Karl Fischer reagent. The response was shown to be linear in the concentration range 0.03–0.11% water in methanol, ethanol or 2-propanol, with methanol as the carrier solvent. The maximum sampling frequency was about 150 samples per hr. It appeared to be possible to introduce a membrane separation step, thu...

  1. Studies on reactions of α-hydroxyalkyl radicals derived from n-propanol and n-butanol with nicotinic acid: estimation of their reduction potential

    Reactions of α-hydroxyalkyl radicals derived from n-propanol and n-butanol with nicotinic acid were studied by pulse radiolysis techniques. In these reactions adducts of α-hydroxyalkyl radicals and nicotinic acid are formed. Rate constant for these reactions were determined. These adducts were found to decay by uni-molecular pathway giving the pyridinyl radicals. From the earlier obtained linear plot of rate constants for adduct formation versus the reduction potentials of α-hydroxyalkyl radicals of 2-propanol, ethanol and methanol, reduction potentials of α-hydroxyalkyl radicals of n-propanol and n-butanol were estimated. (author)

  2. Stereo block copolymers of L- and D-lactides

    Yui, Nobuhiko; Pieter J. Dijkstra; Feijen, Jan

    1990-01-01

    Sequential diblock copolymers composed of L- and D-lactic acid residues were synthesized through a living ring-opening polymerization of L- and D-lactide initiated by aluminium tris(2-propanolate). The composition of the block copolymers was varied by changing the reaction conditions and monomer over initiator ratio and confirmed by 1H NMR analysis, molecular weight determination and optical rotation measurements. Molecular weights ranged from 1,3 to 2,0 · 104 with 1,2 < Mw/Mn < 1,4. Stereoco...

  3. Extended UNIQUAC Model for Correlation and Prediction of Vapor-Liquid-Liquid-Solid Equilibria in Aqueous Salt Systems Containing Non-Electrolytes. Part B. Alcohol (Ethanol, Propanols, Butanols) - Water-salt systems

    Thomsen, Kaj; Iliuta, Maria Cornelia; Rasmussen, Peter

    2004-01-01

    The Extended UNIQUAC model for electrolyte solutions is an excess Gibbs energy function consisting of a Debye-Huckel term and a term corresponding to the UNIQUAC equation. For vapor-liquid equilibrium calculations, the fugacities of gas-phase components are calculated with the Soave-Redlich-Kwong......-propanol, 2-methyl 2-propanol) and various ions (Na+, K+, NH4+, Cl-, NO3, SO42-, SO32-, HSO3-, CO32-, and HCO3-) shows the capability of the model to accurately represent the phase behavior of these kinds of systems. (C) 2004 Elsevier Ltd. All rights reserved....

  4. Separation of the four pairs of enantiomers of vincamine alkaloids by enantioselective high-performance liquid chromatography.

    Caccamese, S; Principato, G

    2000-09-29

    The four enantiomeric pairs of vincamine group alkaloids were separated by HPLC using Chiralpak AD as chiral stationary phase (CSP) and various n-hexane-2-propanol and n-hexane-ethanol mobile phases. (+)-cis-Vincamine, which is used in pharmaceutical preparations, is eluted much faster than its optical isomer, with separation factors of 2.4 and 3.5, respectively in these mobile phases. Other CSPs gave negative results. A chiral recognition mechanism is proposed and circular dichroism spectra of the individual enantiomers are presented. PMID:11043586

  5. Analysis of 3-MCPD and 1,3-DCP in Various Foodstuffs Using GC-MS

    Kim, Wooseok; Jeong, Yun A; On, Jiwon; Choi, Ari; Lee, Jee-yeon; Lee, Joon Goo; Lee, Kwang-Geun; Pyo, Heesoo

    2015-01-01

    3-Monochloro-1,2-propanediol (3-MCPD) and 1,3-dichloro-2-propanol (1,3-DCP) are not only produced in the manufacturing process of foodstuffs such as hydrolyzed vegetable proteins and soy sauce but are also formed by heat processing in the presence of fat and low water activity. 3-MCPD exists both in free and ester forms, and the ester form has been also detected in various foods. Free 3-MCPD and 1,3-DCP are classified as Group 2B by the International Agency for Research on Cancer. Although th...

  6. Electron beam induced synthesis of uranium dioxide nanoparticles: Effect of solvent composition

    Rath, M. C.; Keny, S. J.; Naik, D. B.

    2016-09-01

    The effect of various compositions of solvents was investigated on the electron beam induced synthesis of uranium dioxide, UO2 nanoparticles. The synthesis was carried out at different pHs from 2 to 7 in the aqueous solutions containing 10 mM uranyl nitrate and 10% 2-propanol. The formation of UO2 nanoparticles was found to occur only in the pH range from 2.5 to 3.7. Experiments were also carried out in the aqueous solutions containing various other alcohols (10% v/v) such as methanol, ethanol, 1-propanol, 1-butanol or tert-butanol as well as in solutions containing 10 mM sodium formate at pH 3.4. The formation of UO2 nanoparticles in the aqueous solutions was found to occur only in the presence of ethanol, 1-propanol, 2-propanol or 1-butanol. It is therefore confirmed that the electron beam induced synthesis of UO2 nanoparticles strongly depends on the solvent compositions as well as the pH of the medium.

  7. Thermodynamic properties of binary liquid mixtures of diethylenetriamine with alcohols at different temperatures

    Highlights: → Thermodynamic study of diethylenetriamine + 2-methyl-1-propanol, +2-propanol or +1-butanol have been made. → Excess molar volumes and isentropic compressibility were determined. → Types of interactions were discussed based on derived properties. - Abstract: Densities, ρ, viscosities, η, and speeds of sound, u, were measured for the binary liquid mixtures containing diethylenetriamine with 2-methyl-1-propanol, 2-propanol and 1-butanol at 293.15, 298.15, 303.15, 308.15 and 313.15 K. From density and speed of sound data, excess molar volumes, VmE and deviations in isentropic compressibility, Δκs, and speed of sound, Δu have been evaluated. Viscosity data were used to compute deviations in viscosity and excess Gibbs energy of activation of viscous flow ΔG*E at 298.15, 303.15 and 308.15 K. A Redlich-Kister type equation was applied to fit the excess molar volumes and deviations in isentropic compressibility, speed of sound and viscosity data. The viscosity data have been correlated with the equations of Grunberg-Nissan, Tamura-Kurata, Heric-Brewer and of Hind et al. All the binary systems of the present study have negative values of excess molar volumes and deviations in isentropic compressibility over whole composition range and at all temperatures which indicates strong interactions between the components of binary mixtures.

  8. Effect of reduction enhancer on a radiolytic synthesis of carbon-supported Pt–Cu nanoparticles and their structural and electrochemical properties

    In order to clarify the effect of reduction enhancer on the nanoparticle formation process and their structural and catalytic properties, carbon-supported Pt–Cu nanoparticles were synthesized by electron beam irradiation on an aqueous precursor solution in the presence/absence of reduction enhancer. In the absence of reduction enhancer, tetravalent platinum oxide particles of approximately 1 nm in diameter were formed on carbon support with copper barely precipitated, while in the presence of 2-propanol or ethylene glycol or glucose both platinum and copper precipitated as few-nanometer-sized alloy particles together with copper oxides. It was suggested that the metal nuclei produced upon electron beam irradiation do not have enough lifetime without reduction enhancer due to fast oxidation of the nuclei by oxidizing radicals, while the reduction enhancer scavenges these oxidizing radicals preventing oxidation of metallic clusters and prolonging their lifetime. Ethylene glycol gave smaller and better alloyed particles with less copper oxides compared to 2-propanol since the carbonyl compounds derived from oxidation of ethylene glycol protect metallic clusters from oxidation further prolonging their lifetime. In the electrochemical measurements, the methanol oxidation activities of Pt–Cu/C catalysts were well explained by their structural characteristics

  9. Thermochemistry of the solution of β-alanine in (H2O + alcohol) mixtures at 298.15 K

    Highlights: • Enthalpies of β-alanine dissolution have been measured in aqueous solution of MeOH, EtOH, 1-PrOH and 2-PrOH. • Measured data were reported as functions of composition of water + alcohol mixtures. • Enthalpy coefficients of pairwise interactions have been analyzed in terms of McMillan–Mayer theory. - Abstract: The enthalpies of the solution of β-alanine in H2O + (methanol, ethanol, 1-propanol and 2-propanol) mixtures with alcohol content up to 0.4 mol fractions, have been determined calorimetrically at T = 298.15 K. The standard enthalpies of the solution and transfer of β-alanine from water to aqueous alcohol have been calculated. The effect of structure properties of a mixed solvent on specified enthalpy characteristics of β-alanine is discussed. The enthalpy coefficients of pairwise interactions between β-alanine and alcohol molecules have been computed. It has been found that these coefficients become increasingly positive in methanol, ethanol, 1-propanol, and 2-propanol sequence. A comparative analysis of thermodynamic characteristics of dissolution of β-alanine and D,L-α-alanine in the mixtures studied has been made

  10. Solubility of anthracene and pyrene in binary alcohol + alcohol solvent mixtures

    Zvaigzne, A.I.; McHale, M.E.R.; Powell, J.R.; Kauppila, A.S.M.; Acree, W.E. Jr. [Univ. of North Texas, Denton, TX (United States). Dept. of Chemistry

    1995-11-01

    Solid-liquid equilibrium data of organic nonelectrolyte systems are becoming increasingly important in the petroleum industry, particularly in light of present trends toward heavier feedstocks and known carcinogenicity/mutagenicity of many of the larger polycyclic aromatic compounds. Experimental solubilities are reported for anthracene dissolved in binary 1-octanol + 2-propanol, 2-butanol + 1-butanol, 1-octanol + 1-butanol, 3-methyl-1-butanol + 1-propanol, and 2-methyl-1-propanol + 1-butanol mixtures at 25 C, and for pyrene dissolved in binary solvent mixtures containing 2-ethyl-1-hexanol with 1-propanol, 2-propanol, 1-butanol, 2-butanol, 1-octanol, 2-methyl-1-propanol, and 3-methyl-1-butanol at 26 C. Results of these measurements are used to test two mathematical representations based upon the combined nearly ideal binary solvent (NIBS)/Redlich-Kister equation and modified Wilson model. For the 12 systems studied, the combined NIBS/Redlich-Kister equation was found to provide an accurate mathematical representation of the experimental data, with an overall average absolute deviation between measured and calculated values being on the order of 0.4%. Slightly larger deviations were noted in the case of the modified Wilson equation.

  11. Quantitative structure-retention relationship of selected imidazoline derivatives on α1-acid glycoprotein column.

    Filipic, Slavica; Ruzic, Dusan; Vucicevic, Jelica; Nikolic, Katarina; Agbaba, Danica

    2016-08-01

    The retention behaviour of 22 selected imidazoline drugs and derivatives was investigated on α1-acid glycoprotein (AGP) column using Sørensen phosphate buffer (pH 7.0) and 2-propanol as organic modifier. Quantitative Structure-Retention Relationships (QSRR) models were built using extrapolated logkw values as well as isocratic retention factors (logk5, logk8, logk10, logk12, logk15 obtained for 5%, 8%, 10%, 12%, and 15%, of 2-propanol in mobile phase, respectively) as dependant variables and calculated physicochemical parameters as independant variables. The established QSRR models were built by stepwise multiple linear regression (MLR) and partial least squares regression (PLS). The performance of the stepwise and PLS models was tested by cross-validation and the external test set prediction. The validated QSRR models were compared and the optimal PLS-QSRR model for logkw and each isocratic retention factors (PLS-QSRR(logk5), PLS-QSRR(logk8), PLS-QSRR(logk10), MLR-QSRR(logk12), MLR-QSRR(logk15)) were selected. The QSRR results were further confirmed by Linear Solvation Energy Relationships (LSER). LSER analysis indicated on hydrogen bond basicity, McGowan volume and excess molar refraction as the most significant parameters for all AGP chromatographic retention factors and logkw values of 22 selected imidazoline drugs and derivatives. PMID:26968888

  12. Response surface methodology for the optimization of dispersive liquid-liquid microextraction of chloropropanols in human plasma.

    Gonzalez-Siso, Paula; Lorenzo, Rosa A; Regenjo, María; Fernández, Purificación; Carro, Antonia M

    2015-10-01

    Chloropropanols are processing toxicants with a potential risk to human health due to the increased intake of processed foods. A rapid and efficient method for the determination of three chloropropanols in human plasma was developed using ultrasound-assisted dispersive liquid-liquid microextraction. The method involved derivatization and extraction in one step followed by gas chromatography with tandem mass spectrometry analysis. Parameters affecting extraction, such as sample pH, ionic strength, type and volume of dispersive and extraction solvents were optimized by response surface methodology using a pentagonal design. The linear range of the method was 5-200 ng/mL for 1,3-dichloro-2-propanol, 10-200 ng/mL for 2,3-dichloro-2-propanol and 10-400 ng/mL for 3-chloropropane-1,2-diol with the determination coefficients between 0.9989 and 0.9997. The limits of detection were in the range of 0.3-3.2 ng/mL. The precision varied from 1.9 to 10% relative standard deviation (n = 9). The recovery of the method was between 91 and 101%. Advantages such as low consumption of organic solvents and short time of analysis make the method suitable for the biomonitoring of chloropropanols. PMID:26205350

  13. Effect of reduction enhancer on a radiolytic synthesis of carbon-supported Pt–Cu nanoparticles and their structural and electrochemical properties

    Kugai, Junichiro, E-mail: jkugai@kobe-kosen.ac.jp [Kobe City College of Technology, Department of Applied Chemistry (Japan); Kubota, Chihiro; Okazaki, Tomohisa; Seino, Satoshi; Nakagawa, Takashi [Osaka University, Graduate School of Engineering (Japan); Nitani, Hiroaki [High Energy Accelerator Research Organization, Institute of Materials Structure Science (IMSS) (Japan); Yamamoto, Takao A. [Osaka University, Graduate School of Engineering (Japan)

    2015-06-15

    In order to clarify the effect of reduction enhancer on the nanoparticle formation process and their structural and catalytic properties, carbon-supported Pt–Cu nanoparticles were synthesized by electron beam irradiation on an aqueous precursor solution in the presence/absence of reduction enhancer. In the absence of reduction enhancer, tetravalent platinum oxide particles of approximately 1 nm in diameter were formed on carbon support with copper barely precipitated, while in the presence of 2-propanol or ethylene glycol or glucose both platinum and copper precipitated as few-nanometer-sized alloy particles together with copper oxides. It was suggested that the metal nuclei produced upon electron beam irradiation do not have enough lifetime without reduction enhancer due to fast oxidation of the nuclei by oxidizing radicals, while the reduction enhancer scavenges these oxidizing radicals preventing oxidation of metallic clusters and prolonging their lifetime. Ethylene glycol gave smaller and better alloyed particles with less copper oxides compared to 2-propanol since the carbonyl compounds derived from oxidation of ethylene glycol protect metallic clusters from oxidation further prolonging their lifetime. In the electrochemical measurements, the methanol oxidation activities of Pt–Cu/C catalysts were well explained by their structural characteristics.

  14. Microstructural and auger microanalytical characterization of Cu-Hf and Cu-Ti catalysts.

    Pisarek, M; Janik-Czachor, M

    2006-06-01

    Degradation processes occurring at the surface and in the bulk of Cu-based amorphous alloys during cathodic hydrogen charging were used for promoting the catalytic activity of such alloys. These processes modifying the structure, composition, and morphology of the substrate proved to be useful methods for transforming Cu-Hf and inactive Cu-Ti amorphous alloy precursors into active and durable catalysts. Indeed, their catalytic activity for dehydrogenation of 2-propanol increased up to a conversion level of approximately 60% at selectivities to acetone of about 99% for Cu-Ti and to conversion of approximately 90% at selectivities of approximately 95% for Cu-Hf. Previous attempts carried out by aging in air or hydrogen charging from the gas phase resulted in a maximum conversion level up to 15% for Cu-Hf and up to 3% for Cu-Ti. High resolution Auger spectroscopy allowed changes occurring during the activation process to be identified, namely, the formation of small Cu particles on the HfO2 surface and the formation of highly porous particles containing mostly Cu and some Ti and O (Cu-Ti-O) on a Cu-Ti substrate. Differences in the chemistry and structure of both catalysts are discussed, and the implications for catalytic function are considered. A probable configuration of active sites on the Cu-Ti-O/Ti-O-Cu catalyst for dehydrogenation of 2-propanol is proposed. PMID:17481359

  15. Adsorption and Reaction of C1-C3 Alcohols over CeOx(111) Thin Films

    D Mullins; S Senanayake; T Chen

    2011-12-31

    This study reports the interaction of methanol, ethanol, 1-propanol, and 2-propanol with well-ordered CeO{sub 2}(111) thin film surfaces. All of the alcohols adsorb at low temperature by forming alkoxy and hydroxyl species on the surface. On fully oxidized CeO{sub 2}(111), recombination occurs between some of the alkoxys and hydroxyls, resulting in alcohol desorption near 220 K. At the same temperature, some of the surface hydroxyls disproportionate to produce water and the loss of lattice O. The remaining alkoxys react above 550 K. The primary alcohols favor dehydrogenation products (aldehydes). There is a net loss of O from the system, resulting in a reduction of the ceria. The secondary alcohol, 2-propanol, undergoes primarily dehydration, producing propene with no net change in the cerium oxidation state. Reduced CeO{sub x}(111) competes with the gaseous products for available O. Little or no water is produced. The reaction selectivity for the C{sub 2} and C{sub 3} alcohols shifts toward favoring dehydration products. The loss of O from the alcohols leads to oxidation of the reduced ceria. Compared with the oxidized surface, the alkene desorption shifts to lower temperature, whereas the aldehyde desorption shifts to higher temperature. This indicates that, on the reduced surface, it is easier to break the C-O bond but more difficult to break the O-substrate bond.

  16. Enhancement of percutaneous absorption of finasteride by cosolvents, cosurfactant and surfactants.

    Javadzadeh, Yousef; Shokri, Javad; Hallaj-Nezhadi, Somayeh; Hamishehkar, Hamed; Nokhodchi, Ali

    2010-12-01

    The enhancing effects of routinely used co-solvents, propylene glycol and 2-propanol, anionic and cationic surfactants and a co-surfactant with different concentrations were evaluated on the skin permeation of Finasteride. In vitro permeation experiments with rat skin revealed that the solvent mixture is a very important factor in the penetration of Finasteride through the skin. Unexpectedly, cationic and anionic surfactants in various concentrations did not show any enhancement effect on drug transdermal absorption but co-surfactant Transcutol P increased skin penetration of Finastride significantly. Transcutol P with 0.25% and 1% showed the best enhancement in the initial and final sampling time, respectively. Transcutol P in a concentration of 0.25% increased skin absorption of the drug nearly 3.6 times in the first 15 min. The highest enhancement ratio (ER) was gained in the presence of 1% Transcutol P (ER = 5.98). In this study, among the different topical Finastride formulations, Transcutol P 1% in combination with water, propylene glycol and 2-propanol (30, 10, and 60) showed the highest enhancement ratio. PMID:19929166

  17. Impact of growth kinetics on morphology and pore structure of TiO2-one-pot synthesis of macroporous TiO2 microspheres.

    Zhong, Ziyi; Chen, Fengxi; Ang, Thiam-Peng; Han, Yifan; Lim, Weiqiang; Gedanken, Aharon

    2006-06-12

    Titanium dioxide was synthesized by the hydrolysis of titanium tetraisopropoxide (TTIP) in the presence of acetic acid, 2-propanol, and organic amines (octylamine, aniline, and isobutylamine). H2O was supplied by an esterification reaction between acetic acid and 2-propanol (denoted as H2Oe), and/or by intentionally adding it (denoted as H2Oa). It was found that the quantity of H2Oa plays a crucial role in the morphology and porous structure of the final TiO2 product. Without the addition of H2Oa, 1D and porous TiO2 was synthesized. With the addition of H2Oa, and when the H2Oa:TiO2 molar ratio was in the range of 1:1 to 60:1, macroporous TiO2 microspheres possessing a large surface area and high thermal stability were obtained. When the H2Oa:TiO2 molar ratio exceeded 60:1, porous TiO2 with an irregular shape was formed. The variation in the morphology and porous structure is attributed to the manipulation of the growth kinetics by the addition of water. PMID:16749824

  18. Influence of the composition of aqueous-alcohol solvents on the thermodynamic characteristics of L-phenylalanine dissolution at 298.15 K

    Badelin, Valentin G. [Laboratory of Thermodynamics of Solutions of Non-electrolytes and Biologically Active Substances, Institute of Solution Chemistry, Russian Academy of Sciences, 1 Akademicheskaya Street, 153045, Ivanovo (Russian Federation); Smirnov, Valeriy I., E-mail: vis@isc-ras.ru [Laboratory of Thermodynamics of Solutions of Non-electrolytes and Biologically Active Substances, Institute of Solution Chemistry, Russian Academy of Sciences, 1 Akademicheskaya Street, 153045, Ivanovo (Russian Federation)

    2011-11-10

    Highlights: Black-Right-Pointing-Pointer Enthalpies of L-phenylalanine dissolution have been measured in aqueous methanol, ethanol, 1-propanol and 2-propanol. Black-Right-Pointing-Pointer The measured data were reported as functions of composition of water + alcohol mixtures. Black-Right-Pointing-Pointer Enthalpy coefficients of pair-wise interactions have been analyzed in terms of McMillan-Mayer theory. Black-Right-Pointing-Pointer A comparative analysis of the characteristics of dissolution of L-phenylalanine and some other L-amino acids in the similar systems has been made. - Abstract: The enthalpies of L-phenylalanine dissolution in aqueous methanol, ethanol, 1-propanol and 2-propanol have been determined by calorimetry at 298.15 K and alcohol mole fractions up to x{sub 2} {approx}0.4. The standard enthalpies of solution {Delta}{sub sol}H Degree-Sign and transfer {Delta}{sub tr}H Degree-Sign from water to the mixed solvent as well as the enthalpy coefficients of L-phenylalanine-alcohol pair-wise interactions were calculated. The interrelation of the enthalpies of dissolution and transfer for L-phenylalanine with structural features of alcohols has been determined. A comparative analysis of the thermodynamic characteristics of dissolution of L-phenylalanine and some other amino acids (glycine, L-alanine, L-threonine and L-valine) in the mixtures studied has been made.

  19. Effect of morphology and solvent on two-photon absorption of nano zinc oxide

    Kavitha, M.K. [Department of Chemistry, Indian Institute of Space Science and Technology, Valiamala, Thiruvananthapuram 695547, Kerala (India); Haripadmam, P.C.; Gopinath, Pramod; Krishnan, Bindu [Department of Physics, Indian Institute of Space Science and Technology, Valiamala, Thiruvananthapuram 695547, Kerala (India); John, Honey, E-mail: honey@iist.ac.in [Department of Chemistry, Indian Institute of Space Science and Technology, Valiamala, Thiruvananthapuram 695547, Kerala (India)

    2013-05-15

    Highlights: ► ZnO nanospheres and triangular structures synthesis by novel precipitation technique. ► The effect of precursor concentration on the size and shape of nano ZnO. ► Open aperture Z-scan measurements of the ZnO nanoparticle dispersions. ► Nanospheres exhibit higher two photon absorption coefficient than triangular nanostructures. ► Nanospheres dispersed in water exhibit higher two photon absorption coefficient than its dispersion in 2-propanol. - Abstract: In this paper, we report the effect of morphology and solvent on the two-photon absorption of nano zinc oxide. Zinc oxide nanoparticles in two different morphologies like nanospheres and triangular nanostructures are synthesized by novel precipitation technique and their two-photon absorption coefficient is measured using open aperture Z-scan technique. Experimental results show that the zinc oxide nanospheres exhibit higher two-photon absorption coefficient than the zinc oxide triangular nanostructures. The zinc oxide nanospheres dispersed in water exhibit higher two-photon absorption coefficient than that of its dispersion in 2-propanol. The zinc oxide nanospheres dispersed in water shows a decrease in two-photon absorption coefficient with an increase in on-axis irradiance. The result confirms the dependence of shape and solvent on the two-photon absorption of nano zinc oxide.

  20. Construction of heterologous gene expression cassettes for the development of recombinant Clostridium beijerinckii.

    Oh, Young Hoon; Eom, Gyeong Tae; Kang, Kyoung Hee; Joo, Jeong Chan; Jang, Young-Ah; Choi, Jae Woo; Song, Bong Keun; Lee, Seung Hwan; Park, Si Jae

    2016-04-01

    Gene-expression cassettes for the construction of recombinant Clostridium beijerinckii were developed as potential tools for metabolic engineering of C. beijerinckii. Gene expression cassettes containing ColE1 origin and pAMB origin along with the erythromycin resistance gene were constructed, in which promoters from Escherichia coli, Lactococcus lactis, Ralstonia eutropha, C. acetobutylicum, and C. beijerinckii are examined as potential promoters in C. beijerinckii. Zymogram analysis of the cell extracts and comparison of lipase activities of the recombinant C. beijerinckii strains expressing Pseudomonas fluorescens tliA gene suggested that the tliA gene was functionally expressed by all the examined promoters with different expression level. Also, recombinant C. beijerinckii expressing C. beijerinckii secondary alcohol dehydrogenase by the constructed expression cassettes successfully produced 2-propanol from glucose. The best promoter for TliA expression was the R. eutropha phaP promoter while that for 2-propanol production was the putative C. beijerinckii pta promoter. Gene expression cassettes developed in this study may be useful tools for the construction of recombinant C. beijerinckii strains as host strains for the valuable chemicals and fuels from renewable resources. PMID:26780375

  1. Effect of morphology and solvent on two-photon absorption of nano zinc oxide

    Highlights: ► ZnO nanospheres and triangular structures synthesis by novel precipitation technique. ► The effect of precursor concentration on the size and shape of nano ZnO. ► Open aperture Z-scan measurements of the ZnO nanoparticle dispersions. ► Nanospheres exhibit higher two photon absorption coefficient than triangular nanostructures. ► Nanospheres dispersed in water exhibit higher two photon absorption coefficient than its dispersion in 2-propanol. - Abstract: In this paper, we report the effect of morphology and solvent on the two-photon absorption of nano zinc oxide. Zinc oxide nanoparticles in two different morphologies like nanospheres and triangular nanostructures are synthesized by novel precipitation technique and their two-photon absorption coefficient is measured using open aperture Z-scan technique. Experimental results show that the zinc oxide nanospheres exhibit higher two-photon absorption coefficient than the zinc oxide triangular nanostructures. The zinc oxide nanospheres dispersed in water exhibit higher two-photon absorption coefficient than that of its dispersion in 2-propanol. The zinc oxide nanospheres dispersed in water shows a decrease in two-photon absorption coefficient with an increase in on-axis irradiance. The result confirms the dependence of shape and solvent on the two-photon absorption of nano zinc oxide

  2. Determination and correlation of solubility of tylosin tartrate in alcohol mixtures

    Graphical abstract: Data on (solid + liquid) equilibrium of tylosin tartrate in {methanol + (ethanol, 1-propanol or 2-propanol)} solvents was measured over temperature range from (278.15 to 323.15) K under atmospheric pressure by a gravimetric method. From the experimental results, it can be seen that solubility of tylosin tartrate increases with increasing mass fraction of methanol in mixed solvents at a constant temperature, and increases with increasing temperature at the same mass fraction. The solubility of tylosin tartrate in methanol is higher than in methanol mixture solvents, and in 2-propanol is the lowest. The solubility data were correlated well with modified Apelblat equation, λh equation and van’t Hoff equation, and that modified Apelblat equation was more accurate than λh equation and van’t Hoff equation. Further, the standard enthalpy, standard entropy and standard Gibbs free energy of solution of tylosin tartrate in mixed solvents were calculated according to solubility data and model parameters with modified Apelblat equation and van’t Hoff equation. - Highlights: • The solubility of tylosin tartrate in selected solvents has been obtained in this work. • The results show that the three models agree well with the experimental data. • The modified Apelblat model were more accurate than λh model and van’t Hoff model. • The dissolution enthalpy and entropy of tylosin tartrate were calculated from the solubility data. - Abstract: Data on (solid + liquid) equilibrium of tylosin tartrate in {methanol + (ethanol, 1-propanol or 2-propanol)} solvents will provide essential support for industrial design and further theoretical studies. In this study, the solubility of tylosin tartrate in alcohol mixtures was measured over temperature range from (278.15 to 323.15) K under atmospheric pressure by a gravimetric method. From the experimental results, the solubility of tylosin tartrate in selected solvents noted above was found to increase with

  3. Advances in the catalysts development in base of mixed oxides for control reactions of N2O

    The catalytic supports Al2O3, La2O3 and Al2O3-La2O3 were prepared by the precipitation and coprecipitation techniques. The catalytic supports Al2O3, La2O3 and Al2O3-La2O3 were characterized by several techniques for to determine texture (BET), crystallinity (XRD), chemical composition (SEM), FTIR and it was evaluated their total acidity by the reaction with 2-propanol. It was continued with the cobalt addition by Impregnation and coprecipitation and it was evaluated its catalytic activity in the N2O decomposition reaction. Also it was realized the N2O reduction with Co using these catalysts. (Author)

  4. Degradation of a recalcitrant xenobiotic compound: methyl tert-butyl ether (MTBE) metabolism by mycobacterium austroafricanum; Degradation d'un compose xenobiotique recalcitrant: metabolisme du methyl tert-butyl ether (MTBE) par mycobacterium austroafricanum IFP 2012

    Francois, A.

    2002-11-01

    Methyl tert-butyl ether (MTBE) is introduced up to 15% (vol/vol) in gasoline in order to obtain a good octane number and to prevent carbon monoxide emissions. However, as a consequence of storage tanks leakage, MTBE became one of the major pollutants of aquifers because of its very low biodegradability. The present study aimed at investigating the biodegradation of MTBE by Mycobacterium austroafricanum IFP 2012. The MTBE metabolic pathway was partially elucidated owing to the identification of some intermediates (tert-butyl formate (TBF), tert-butyl alcohol (TBA), a-hydroxy-isobutyric acid and acetone) and some enzymatic activities (MTBE/TBA monooxygenase (non hemic and inducible), TBF esterase, 2-propanol: NDMA oxidoreductase and another monooxygenase involved in acetone degradation). The involvement of TBF and the requirement of cobalt could be explanations for the low natural attenuation of MTBE; whereas the methoxy group does not seem to be implicated. (author)

  5. FULL-SCALE TESTING OF A CAUSTIC SIDE SOLVENT EXTRACTION SYSTEM TO REMOVE CESIUM FROM SAVANNAH RIVER SITE RADIOACTIVE WASTE

    Savannah River Site (SRS) personnel have completed construction and assembly of the Modular Caustic Side Solvent Extraction Unit (MCU) facility. Following assembly, they conducted testing to evaluate the ability of the process to remove non-radioactive cesium and to separate the aqueous and organic phases. They conducted tests at salt solution flow rates of 3.5, 6.0, and 8.5 gpm. During testing, the MCU Facility collected samples and submitted them to Savannah River National Laboratory (SRNL) personnel for analysis of cesium, Isopar(regsign) L, and Modifier [1-(2,2,3,3-tetrafluoropropoxy)-3-(4-sec-butylphenoxy)-2-propanol]. SRNL personnel analyzed the aqueous samples for cesium by Inductively-Coupled Plasma Mass Spectroscopy (ICP-MS) and the solvent samples for cesium using a Parr Bomb Digestion followed by ICP-MS. They analyzed aqueous samples for Isopar(regsign) L and Modifier by gas chromatography (GC)

  6. Optimization of ultrasound-assisted extraction of total monomeric anthocyanin (TMA) and total phenolic content (TPC) from eggplant (Solanum melongena L.) peel.

    Dranca, Florina; Oroian, Mircea

    2016-07-01

    The present study describes the extraction of total monomeric anthocyanin (TMA) and total phenolic content (TPC) from eggplant peel using ultrasonic treatments and methanol and 2-propanol as extraction solvents. The extraction yields were optimized by varying the solvent concentration, ultrasonic frequency, temperature and time of ultrasonic treatment. Box-Behnken design was used to investigate the effect of process variables on the ultrasound-assisted extraction. The results showed that for TPC extraction the optimal condition were obtained with a methanol concentration of 76.6%, 33.88 kHz ultrasonic frequency, a temperature of 69.4 °C and 57.5 min extraction time. For TMA the optimal condition were the following: 54.4% methanol concentration, 37 kHz, 55.1 °C and process time of 44.85 min. PMID:26701808

  7. Catalytic activity of carbon nanotubes in the conversion of aliphatic alcohols

    Zhitnev, Yu. N.; Tveritinova, E. A.; Chernyak, S. A.; Savilov, S. V.; Lunin, V. V.

    2016-06-01

    Carbon nanotubes (CNTs) obtained via the catalytic pyrolysis of hexane at 750°C were studied as the catalysts in conversion of C2-C4 alcohols. The efficiency of CNTs as catalysts in dehydration and dehydrogenation of ethanol, 1-propanol, 2-propanol, 1-butanol, 2-butanol, and tert-butanol was studied by means of pulse microcatalysis. The surface and structural characteristics of CNTs are investigated via SEM, TEM, DTA, BET, and XPS. CNTs are shown to be effective catalysts in the conversion of alcohols and do not require additional oxidative treatment. The regularities of the conversion of aliphatic alcohols, related to the properties of the CNTs surface and the structure of the alcohols are identified.

  8. Dynamics of water and solute transport in polymeric reverse osmosis membranes via molecular dynamics simulations

    Shen, Meng; Lueptow, Richard M

    2016-01-01

    The Angstrom-scale transport characteristics of water and six different solutes, methanol, ethanol, 2-propanol, urea, Na+, and Cl-, were studied for a polyamide reverse osmosis (RO) membrane, FT-30, using non-equilibrium molecular dynamics (NEMD) simulations. Results indicate that water transport increases with an increasing fraction of connected percolated free volume, or water-accessible open space, in the membrane polymer structure. This free volume is enhanced by the dynamic structure of the membrane at the molecular level as it swells when hydrated and vibrates due to molecular collisions allowing a continuous path connecting the opposite membrane surfaces. The tortuous paths available for transport of solutes result in Brownian motion of solute molecules and hopping from pore to pore as they pass through the polymer network structure of the membrane. The transport of alcohol solutes decreases for solutes with larger Van der Waals volume, which corresponds to less available percolated free volume, or sol...

  9. Thermodynamic properties of binary mixtures containing dimethyl carbonate+2-alkanol: Experimental data, correlation and prediction by ERAS model and cubic EOS

    Almasi, Mohammad

    2013-03-01

    Densities and viscosities for binary mixtures of dimethyl carbonate with 2-propanol up to 2-heptanol were measured at various temperatures and ambient pressure. From experimental data, excess molar volumes, VmE. were calculated and correlated by the Redlich-Kister equation to obtain the binary coefficients and the standard deviations. Excess molar volumes, VmE, are positive for all studied mixtures over the entire range of the mole fraction. The ERAS-model has been applied for describing the binary excess molar volumes and also Peng-Robinson-Stryjek-Vera (PRSV) equation of state (EOS) has been used to predict the binary excess molar volumes and viscosities. Also several semi-empirical models were used to correlate the viscosity of binary mixtures.

  10. Degradation and miscibility of poly(DL-lactic acid)/poly(glycolic acid) composite films: Effect of poly(DL-lactic-co-glycolic acid)

    Zhigang Ma; Na Zhao; Chengdong Xiong

    2012-08-01

    The in vitro degradation behaviour of poly(glycolic acid) (PGA) and its composite films containing poly(DL-lactic acid) (PDLLA) and poly(DL-lactic-co-glycolic acid) (PDLGA) were investigated via mass loss, scanning electron microscopy (SEM) and differential scanning calorimetry (DSC). All the films were prepared by solution casting, using 1,1,1,3,3,3-hexafluoro-2-propanol (HFIP) as the solvent. Since the degradation rate of PDLLA is lower than that of PGA, those of the PDLLA/PGA composite films decreased. As a compatibilizer, PDLGA improved the compatibility and hydrolytic stability of PDLLA/PGA composite films. Changes in the composite films indicate that this kind of PGA-based composite biomaterial may be applicable to device design for clinical application in the future.

  11. Radiosynthesis of a chloroacetanilide herbicide ([phenyl-4-3 H] acetochlor) and a dichloroacetamide safener for herbicides [2,2-dimethyl-3 H]R-29148

    2-Chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl) acetamide (the chloroacetanilide herbicide acetochlor) and 3-(dichloroacetyl)-2,2,5-trimethyl-1, 3-oxazolidine (the dichloroacetamide safener R-29148) are required at high specific activity for studies on their metabolism and mode of action. [phenyl-4-3H]Acetochlor was obtained at 22 Ci/mmol in 71% yield by reductive dehalogenation of iodoacetochlor with tritium gas in ethanol in the presence of palladium on carbon and triethylamine. [2,2-dimethyl-3H]R-29148 was prepared at 15 Ci/mmol by treating acetone and 1-amino-2-propanol in pentane with two equivalents of NaOH in tritiated water (i.e. hydroxide ion-catalyzed enolization of acetone) followed by dichloroacetyl chloride. (Author)

  12. PREPARED POTASSIUM SALT OF CARBOXYMETHYL PINE WOOD IN A MICROWAVE

    Вадим Иванович Маркин

    2013-10-01

    Full Text Available Microwave radiation to intensify the process of carboxymethylation of pine wood without prior separation of the individual components is proposed to use . Carboxymethylated pine wood in the form of the potassium salt obtained by treating the pine potassium hydroxide and monochloroacetic acid in 2-propanol . Composition and properties of the products were investigated . Carboxymethylcellulose isolated from carboxymethylated pine wood. Increasing the power of microwave radiation (210 to 700 W and the duration of the first and second stages of the process of carboxymethylation (20-30 sec increases the content of carboxymethyl groups (18,3-25,6 %. Abnormally low solubility of the potassium salts of carboxymethylated pine wood (10–18% compared to the sodium salt with a comparable content of carboxymethyl groups was detected. Study viscosity of aqueous solutions carboxymethylated pine and carboxymethylcellulose derived from it was performed. It is shown that the samples obtained at microwave power of 210 W have abnormal flow curves.

  13. Immobilization of RuS2 Nanoparticles Prepared in Reverse Micellar System onto Thiol-Modified Polystyrene Particles and their Photocatalytic Properties

    RuS2 nanoparticles, smaller than 3 nm in diameter, were prepared by H2S gas injection into the AOT/isooctane reverse micellar solution containing RuCl3 aqueous solution. The nanoparticle size was found to be independent of the Wo (water content) value of the reverse micellar system, as shown by TEM observation. The recovery and immobilization of the RuS2 nanoparticles from reverse micelles onto thiol-modified polystyrene particles (PSt-SH) were successfully carried out, by the addition of PSt-SH into the reverse micellar solution under conditions of mild stirring. The resulting composites, PSt-RuS2, showed photocatalytic activity for H2 generation form aqueous solution containing 2-propanol and Na2SO3 as sacrificial electron donors

  14. "Phase diagrams of Lecithin-based microemulsions containing Sodium Salicylate "

    "Aboofazeli R

    2000-08-01

    Full Text Available Partial phase diagrams were constructed at 25°C to investigate the phase behaviour of systems composed of soybean lecithin, water, sodium salicylate, alcohol and isopropyl myristate. The lecithins used were the commercially available soy bean lecithins, namely E200 and E170 (phosphatidyl choline purities greater than 95% and 68-72% respectively. The cosurfactants employed were n-propanol, 2-propanol and n-butanol and these were used at lecithin/alcohol weight ratios (Km of 1:1 and 1.5:1. At a given Km, the aqueous phase consisted of a 2% w/w sodium salicylate solution. Phase diagrams showed the area of existence of a stable isotropic region along the surfactant/oil axis (i.e., reverse microemulsion area. The extension of the microemulsion domain was influenced by the purity of surfactant, the lecithin/alcohol weight ratios and the kind of the alcohol.

  15. Liquid-liquid extraction and adsorption on solid surfaces applied to used lubricant oils recovery

    J. L. Assunção Filho

    2010-12-01

    Full Text Available In this work, the recovery of base oils from waste lubricants following the steps of solvent extraction, adsorption on solids and solvent removal by evaporation was evaluated. In the step of solvent extraction, the most efficient was 1-butanol, followed by tert-butanol, 2-propanol and ethanol; for the step of adsorption, activated carbon was the most effective solid for PAH removal, confirming the similarity of these compounds with petroleum aromatic fractions. Thus, the optimum solvent-adsorbent pair for the recovery of used lubricant oils through the proposed methodology was 1-butanol/activated carbon. At the end of the process, it was possible to establish a set of steps that permit the recovery of lubricant base oils with lower content of contaminants.

  16. Soporte de Nuevas Películas de TiO2 y TiO2/SiO2 sobre Gránulos de Poliéster para Aplicación en Fotocatálisis Support of New TiO2 and TiO2/SiO2 Films on Polyester Granules for Photocatalytic Applications

    Marín, Juan M.; Navío, José A.; LUIS A. RIOS; Gloria Restrepo

    2008-01-01

    Películas de TiO2 o TiO2/SiO2 fueron soportadas sobre gránulos de poliéster usando mecanismos de difusión y posterior tratamiento térmico a 100ºC. Se emplearon dos clases de geles. El primero fue preparado usando diferentes cantidades de TiO2, cloruro de metileno y silicona líquida. El segundo fue obtenido por medio del método sol-gel, empleado para producir una matriz de sílice a partir de la hidrólisis el tetraetilo ortosilicato, en un medio orgánico de 2-propanol, en el cual se dispersó el...

  17. PREPARATION OF POLYETHERSULFONE ULTRAFILTRATION MEMBRANES FOR MILK CONCENTRATION AND EFFECTS OF ADDITIVES ON THEIR MORPHOLOGY AND PERFORMANCE

    S.S. Madaeni; A. Rahimpour

    2005-01-01

    Polyethersulfone membranes were prepared from quaternary systems containing N,N-dimethylacetamide (DMAc) as solvent, polyvinylpyrrolidone (PVP) as constant additive and acetic acid, acetone and water as variable additives. Phase inversion via immersion precipitation was employed for manufacturing of membranes. The prepared films were immersed in the mixture of pure water and 2-propanol (30/70 vol%) as the non-solvent. Acetic acid caused an increment in the flux at high polymer concentration (16wt%) and a decline in the flux at low polymer concentrations (10 wt% and 13 wt%). Acetone and water as the solvent in the casting solution declined the flux at any polymer concentration tested. The morphology and performance of the prepared membranes were investigated by scanning electron microscopy and separation experiments using milk as the feed.

  18. Lipase-catalyzed biodiesel synthesis with different acyl acceptors

    Ognjanović Nevena D.

    2008-01-01

    Full Text Available Biodiesel is an alternative fuel for diesel engine that is environmentally acceptable. Conventionally, biodiesel is produced by transesterification of triglycerides and short alcohols in the presence of an acid or an alkaline catalyst. There are several problems associated with this kind of production that can be resolved by using lipase as the biocatalyst. The aim of the present work was to investigate novel acyl acceptors for biodiesel production. 2-Propanol and n-butanol have a less negative effect on lipase stability, and they also improve low temperature properties of the fuel. However, excess alcohol leads to inactivation of the enzyme, and glycerol, a major byproduct, can block the immobilized enzyme, resulting in low enzymatic activity. This problem was solved by using methyl acetate as acyl acceptor. Triacetylglycerol is produced instead of glycerol, and it has no negative effect on the activity of the lipase.

  19. Design, synthesis, and antifungal activities of novel triazole derivatives containing the benzyl group

    Xu K

    2015-03-01

    Full Text Available Kehan Xu,1,* Lei Huang,1,* Zheng Xu,2 Yanwei Wang,1,3 Guojing Bai,1 Qiuye Wu,1 Xiaoyan Wang,1 Shichong Yu,1 Yuanying Jiang1 1School of Pharmacy, Second Military Medical University, Shanghai, 2Shanghai Changzheng Hospital, Second Military Medical University, Shanghai, 3Number 422 Hospital of PLA, Zhanjiang, People’s Republic of China *These authors contributed equally to this work Abstract: In previous studies undertaken by our group, a series of 1-(1H-1,2,4-triazole-1-yl-2-(2,4-difluorophenyl-3-substituted-2-propanols (1a–r, which were analogs of fluconazole, was designed and synthesized by click chemistry. In the study reported here, the in vitro antifungal activities of all the target compounds were evaluated against eight human pathogenic fungi. Compounds 1a, 1q, and 1r showed the more antifungal activity than the others. Keywords: triazole, synthesis, antifungal activity, CYP51

  20. Design and synthesis of novel triazole antifungal derivatives based on the active site of fungal lanosterol 14a-demethylase (CYP51)

    Zhi Gang Dan; Jun Zhang; Shi Chong Yu; Hong Gang Hu; Xiao Yun Chai; Qing Yan Sun; Qiu Ye Wu

    2009-01-01

    A series of 1-(1H-1,2,4-triazole-1-yl)-2-(2,4-difluorophenyl)-3-(N-isoproyl-N-substituted-amino)-2-propanols have been designed and synthesized on the basis of the active site of lanosterol 14a-demethylase (CYP51). Their structures were confirmed by MS and 1H NMR. In vitro antifungal activities of these synthesized compounds were evaluated against eight human pathogenic fungi. The results showed that all title compounds exhibited activity against fungi tested to some extent. Compounds 3c, 3d, 7a, 7b and 7c exhibited more potent antifungal activities against nearly all fungi tested except Aspergillus fumigatus than fluconazole.

  1. Pharmacokinetic study of inosiplex tablets in healthy Chinese volunteers by hyphenated HPLC and tandem MS techniques

    Mo Chen; Yuan Zhang; Xiao-Ting Que; Ya Ding; Lin Yang; Ai-Dong Wen; Tai-Jun Hang

    2013-01-01

    Inosiplex is a compound formulation composed of inosine and p-acetaminobenzoic acid (PABA) salt of N,N-dimethylamino-2-propanol (DIP). This study was to investigate the clinical plasma pharmacokinetic properties of DIP and PABA after single and multiple oral doses of inosiplex tablets in healthy Chinese volunteers. The established LC/MS/MS method for plasma DIP determination had a linear range of 0.02-10 mg/mL, and the HPLC method for plasma PABA determination had a linear range of 0.05-40 mg/mL. Linear pharmacokinetic characteristics were found with single oral doses of 0.5, 1.0 and 2.0 g. No obvious accumulation effects were observed for DIP and PABA.

  2. LET and dose rate effect on radiation-induced copolymerization in physical gel

    Nakagawa, Seiko, E-mail: Nakagawa.Seiko@iri-tokyo.jp [Tokyo Metropolitan Industrial Technology Research Institute, 2-4-10 Aomi, Koto-ku, Tokyo 135-0064 (Japan); Taguchi, Mitsumasa; Kimura, Atsushi; Nagasawa, Naotsugu; Hiroki, Akihiro [Environmental Radiation Processing Group, Environment and Industrial Materials Research Division, Quantum Beam Science Directorate, Japan Atomic Energy Agency, 1233 Watanuki, Takasaki, Gunma 370-1292 (Japan)

    2014-09-01

    Highlights: •LET and dose rate effect on polymerization in gel was almost the same as in solution. •The ratio of the dose rate effect in the gel was higher than that in solution. •The initiation and termination processes show the difference on the dose rate effect. -- Abstract: N{sub 2}-saturated 2-propanol solutions containing styrene and maleimide were gelled by the addition of hydroxypropylcellulose and irradiated by proton, He and C-ion beams. The trend in the dose rate and LET effects on the yield and molecular weight distribution of the polymer produced in the gel was almost the same in the solution. On the contrary, the dose rate effect in the gel was higher than that in the solution. This effect was accelerated for irradiations by proton as well as heavier ion with a higher LET value.

  3. Enantiomeric resolution of (±)-licarin A by high-performance liquid-chromatography using a chiral stationary phase.

    Pereira, Ana Carolina; Magalhães, Lizandra G; Januário, Ana Helena; Pauletti, Patrícia M; Cunha, Wilson Roberto; Bastos, Jairo Kenupp; Nanayakkara, Dhammika N P; Silva, Márcio Luis A e

    2011-09-28

    (±)-Licarin A (1), a neolignan obtained by the oxidative coupling reaction of isoeugenol, had in this study its enantiomers resolved. A novel, quick and efficient enantiomeric resolution of 1 was directly performed by chiral high-performance liquid chromatography (HPLC-PDA) protocol (CHIRALPACK(®) AD column; 9:1 (v/v) n-hexane:2-propanol; 1.0 mL/min). This method provided a chromatogram profile with a well-resolved peak separation. After isolation of each enantiomer with ee>99.9%, they were analysed in a polarimeter. Compound 2, which showed a retention time (t(r)) of 12.13 min, was the (+)-enantiomer and compound 3 (t(r)=18.90 min) was the (-)-enantiomer. PMID:21868019

  4. Estimation of antiradiative properties of thiols according to the deviation of the radical yield from the additivity rule

    The formation of the radicals in binary solutions of alkanes, alcohols and acids based on thiols has been investigated. It is established that in all the systems a disturbance of the additivity rule for the whole radical yield (Gsub(R)) takes place. On the example of the system 2-propanol-ethanethiol, it is shown that with an increasing of the thiol electron share (esub(T)) from 0.1 to 0.9, the whole radical yield of the alcohol, thiyl and molecular ion-radicals decreases from 3.8 to 0.5x=1/100 ev. Moreover, the yield value reaches a maximal deviation from the additivity rule at esub(T)=0.2. This is a measure of antiradiative properties of thiols concerning alcohols. (author)

  5. Effect of Pt:Sn atomic ratio on the preparation of PtSn/C electrocatalysts using electron beam irradiation

    PtSn/C electrocatalysts were prepared with Pt:Sn atomic ratios of 3:1, 1:1 and 1:3 in water/2-propanol using electron beam irradiation. The obtained materials were characterized by EDX, XRD and cyclic voltammetry. The ethanol electro-oxidation was studied by chronoamperometry. The XRD diffractograms of the PtSn/C electrocatalysts showed typical face-centered cubic (fcc) structure of platinum and the presence of a SnO2 phase (cassiterite). The mean crystallite sizes of Pt fcc phase was in the range of 3.0-3.5 nm. The PtSn/C electrocatalysts were active for ethanol electro-oxidation at room temperature and the material prepared with Pt:Sn atomic ratio of 1:1 showed the best activity. (author)

  6. Solubility of anthracene in binary alcohol + 3-methoxy-1-butanol solvent mixtures

    McHale, M.E.R.; Horton, A.S.M.; Padilla, S.A.; Trufant, A.L.; Sancha, N.U. De La; Vela, E.; Powell, J.R.; Acree, W.E. Jr. [Univ. of North Texas, Denton, TX (United States). Dept. of Chemistry

    1997-01-01

    Experimental solubilities are reported for anthracene dissolved in ten binary mixtures containing 3-methoxy-1-butanol with 1-propanol, 2-propanol, 1-butanol, 2-butanol, 1-pentanol, 2-pentanol, 3-methyl-1-butanol, 4-methyl-2-pentanol, 1-octanol, and 2-ethyl-1-hexanol at 25 C. Results of these measurements are used to test two mathematical representations based upon the combined nearly ideal binary solvent (NIBS)/Redlich-Kister equation and modified Wilson model. For the ten systems studied, both equations were found to provide an accurate mathematical representation of the experimental data, with an overall average absolute deviation between measured and calculated values being 0.4% and 0.5% for the combined NIBS/Redlich-Kister and modified Wilson equations, respectively.

  7. Solubility of anthracene in binary alcohol + 2-propoxyethanol solvent mixtures

    McHale, M.E.R.; Powell, J.R.; Kauppila, A.S.M.; Acree, W.E. Jr. [Univ. of North Texas, Denton, TX (United States). Dept. of Chemistry

    1996-03-01

    Solid-liquid equilibrium data of organic nonelectrolyte systems are becoming increasingly important in the petroleum industry, particularly in light of present trends toward heavier feedstocks and known carcinogenicity/mutagenicity of many of the larger polycyclic aromatic compounds. Experimental solubilities are reported for anthracene dissolved in seven binary mixtures containing 2-propoxyethanol with 1-propanol, 2-propanol, 1-butanol, 2-butanol, 1-pentanol, 1-octanol, and 3-methyl-1-butanol at 25 C. Results of these measurements are used to test two mathematical representations based upon the combined nearly ideal binary solvent (NIBS)/Redlich-Kister equation and modified Wilson model. For the seven systems studied, both equations were found to provide an accurate mathematical representation of the experimental data, with an overall average absolute deviation between measured and calculated values being on the order of 0.5%.

  8. Solubility of anthracene in binary alcohol + 2-pentanol and alcohol + 4-methyl-2-pentanol solvent mixtures

    Powell, J.R.; McHale, M.E.R.; Kauppila, A.S.M.; Acree, W.E. Jr. [Univ. of North Texas, Denton, TX (United States). Dept. of Chemistry

    1996-07-01

    Experimental solubilities are reported for anthracene dissolved in 16 binary mixtures containing either 2-pentanol or 4-methyl-2-pentanol with 1-propanol, 2-propanol, 1-butanol, 2-butanol, 1-pentanol, 1-octanol, 2-methyl-1-propanol and 3-methyl-1-butanol at 25 C. Results of these measurements are used to test two mathematical representations based upon the combined nearly ideal binary solvent (NIBS)/Redlich-Kister equation and modified Wilson model. For the 16 systems studied, both equations were found to provide an accurate mathematical representation of the experimental data, with an overall average absolute deviation between measured and calculated values being 0.3% and 0.5% for the combined NIBS/Redlich-Kister and modified Wilson equations, respectively.

  9. Solubility of anthracene in binary alcohol + 2-ethyl-1-hexanol solvent mixtures

    Powell, J.R.; McHale, M.E.R.; Kauppila, A.S.M.; Otero, P.; Jayasekera, M.; Acree, W.E. Jr. [Univ. of North Texas, Denton, TX (United States). Dept. of Chemistry

    1995-11-01

    Solid-liquid equilibrium data of organic nonelectrolyte systems are becoming increasingly important in the petroleum industry, particularly in light of present trends toward heavier feedstocks and known carcinogenicity/mutagenicity of many of the larger polycyclic aromatic compounds. Experimental solubilities are reported for anthracene dissolved in seven binary mixtures containing 2-ethyl-l-hexanol with 1-propanol, 2-propanol, 1-butanol, 2-butanol, 1-octanol, 2-methyl-1-propanol, and 3-methyl-1-butanol at 25 C. Results of these measurements are used to test two mathematical representations based upon the combined nearly ideal binary solvent (NIBS)/Redlich-Kister equation and modified Wilson model. For the seven systems studied, both equations were found to provide an accurate mathematical representation of the experimental data, with an overall average absolute deviation between measured and calculated values on the order of 0.6%.

  10. The effect of the presence of alcohol in the dispersing phase of oxide sols on the properties of RuO2-TiO2/Ti anodes obtained by the sol–gel procedure

    R. ATANASOSKI

    2000-09-01

    Full Text Available The effect of the addition of ethanol and 2-propanol to the dispersing phase of TiO2 and RuO2 sols mixture on the morphology and, consequently, on the electrochemical properties of the sol-gel obtained activated titanium anodes was investigated. The properties of the obtained anodes were compared to those obtained by the thermal decomposition of appropriate chloride salts. The morphology of the anode coatings was examined by scanning tunneling microscopy. The electrochemical behaviour was investigated by cyclic voltammetry and by polarization measurements. An accelerated stability test was used for the examination of the stability of the anodes under simultaneous oxygen and chlorine evolution reaction. A dependence of the anode stability on the type of added alcohol is indicated.

  11. Scale-up of a fixed bed electrochemical reactor consisting of parallel screen electrode used for p-aminophenol production

    The behavior of a fixed bed consisting of amalgamated copper screens has been investigated for the electrolytic reduction of nitrobenzene to p-aminophenol under potentiostatic condition (controlled potential). The preparative electrolysis of nitrobenzene was carried out using supporting electrolytes consisting of 2 M H2SO4 in a solution of 50% 2-propanol/50% water (v/v). The criterion for scale-up (εn) was determined through application of one-dimensional model. The polarization curves that describe the reduction of nitrobenzene to p-aminophenol were obtained experimentally by using a pilot scale for different nitrobenzene concentrations and flow rates of catholyte. It was found that the effectiveness factor (εn) increases with increasing flow rate, and decreasing nitrobenzene concentration. An optimum thickness of bed equal to 0.6 cm was obtained, in which the effectiveness factor not less than 0.588, to ensure a well distribution of current and potential

  12. Isomerización de n-Pentano mediante óxidos de circonio dopados con ión borato

    L. A. Cortez-Lajas; J. M. Hernández-Enríquez; A. Castillo-Mares; J. L. Rivera-Armenta; G. Sandoval-Robles; L. A. García-Serrano; R. García-Alamilla

    2006-01-01

    Se sintetizaron hidróxido de circonio puro y modificado con un 15% de iones borato. Ambos se calcinaron en atmósfera dinámica de aire durante 3 h a 400, 500 y 600ºC. Los soportes se caracterizaron mediante fisisorción de nitrógeno, espectroscopía infrarroja, titulación potenciométrica con n-butilamina y deshidratación del 2-propanol. Después de la calcinación los soportes se impregnaron con 0.5% peso de platino y se probaron en isomerización de n-pentano a presión atmosférica. La acidez...

  13. Síntesis de óxidos mixtos de Al2O3-ZrO2 y el efecto de la sulfatación

    M. L. Guevara Franco; S. Robles Andrade; García Alamilla, R.; G. Sandoval Robles; J. M. Domínguez Esquivel; J. ZAMORA

    2003-01-01

    En este trabajo se sintetizaron óxidos mixtos de alúmina y circonia por el método sol-gel, y se estudió el efecto de la sulfatación en las propiedades del soporte, probando 3 métodos y dos fuentes de sulfato. Se caracterizaron por DRX, MEB, adsorción de N2, titulación potenciométrica con n-butilamina, deshidratación de 2-propanol y finalmente para probar su actividad catalítica, en isomerización de n-hexano a presión atmosférica. Los resultados mostraron que la sulfatación con ácido sulfúrico...

  14. X-Ray structure and cytotoxic activity of a picolinate ruthenium(II–arene complex

    IVANKA IVANOVIĆ

    2011-01-01

    Full Text Available A ruthenium(II–arene complex with picolinic acid, [(η6-p-cymeneRuCl(pico]∙H2O, was prepared by the reaction of [(η6-p-cymeneRuCl2]2 with picolinic acid in a 1:2 molar ratio in 2-propanol. The compound was characterized by elemental analysis, and IR and NMR spectroscopy. X-ray diffraction analysis showed that the molecule adopts a “three-leg piano-stool” geometry, which is common for this type of complexes. The cytotoxic activity of the complex was tested in two human cancer cell lines HeLa (cervix and FemX (melanoma by MTT assay. The IC50 values were at 82.0 and 36.2 µmol dm-3 for HeLa and FemX cells, respectively.

  15. Research Update: A hafnium-based metal-organic framework as a catalyst for regioselective ring-opening of epoxides with a mild hydride source

    Reaction of styrene oxide with sodium cyanoborohydride and a catalytic amount of Hf-NU-1000 yields the anti-Markovnikov product, 2-phenylethanol, with over 98% regioselectivity. On the other hand, propylene oxide is ring opened in a Markovnikov fashion to form 2-propanol with 95% regioselectivity. Both styrene oxide and propylene oxide failed to react with sodium cyanoborohydride without the addition of Hf-NU-1000 indicative of the crucial role of Hf-NU-1000 as a catalyst in this reaction. To the best of our knowledge, this is the first report of the use of a metal-organic framework material as a catalyst for ring-opening of epoxides with hydrides

  16. Effect of solvents on propylene epoxidation over TS-1 catalyst

    Yulong WU; Qingshan LIU; Xueli SU; Zhentao MI

    2008-01-01

    Solvents have an important effect on the epoxidation of propylene catalyzed by TS-1. The experimental results show that, in different solvents, the catalytic activity of epoxidation is in the following order: methanol > 2-propanol > 2-butanol > acetoni-trile > acetone > tetrahydrofuran. Based on the reaction mechanism, the effects of solvents on the epoxidation were studied from eight aspects, which included the electronic effect, the steric effect, the polarity of solvent, the effect of solvent on sorption and diffusion of reactant, the oxidation of alcohol, the etherification of PO, the deactivation of TS-1 and the solubility of propylene in the solvents. The electronic effect, steric effect and the polarity of solvent were considered to be the main aspects. This work may provide theoretical guidance for choosing solvents for these kinds of reactions and also may serve as basis for further industrialization.

  17. Osmotic coefficients of binary mixtures of 1-butyl-3-methylimidazolium methylsulfate and 1,3-dimethylimidazolium methylsulfate with alcohols at T = 323.15 K

    Measurements of osmotic coefficients of BMimMSO4 (1-butyl-3-methylimidazolium methylsulfate) and MMimMSO4 (1,3-dimethylimidazolium methylsulfate) with ethanol, 1-propanol, and 2-propanol at T = 323.15 K are reported in this work. Vapour pressure and activity values for the binary systems studied are obtained from experimental results. The osmotic coefficients are correlated using the extended Pitzer model modified by Archer and the modified NRTL (MNRTL) model. The standard deviations obtained with both models are lower than 0.013 and 0.060, respectively. The parameters obtained with the extended Pitzer model of Archer are used to calculate the mean molal activity coefficients and the excess Gibbs free energy of the binary mixtures

  18. Vapour pressures, osmotic and activity coefficients for binary mixtures containing (1-ethylpyridinium ethylsulfate + several alcohols) at T = 323.15 K

    Osmotic coefficients of binary mixtures containing several primary and secondary alcohols (1-propanol, 2-propanol, 1-butanol, 2-butanol, and 1-pentanol) and the pyridinium-based ionic liquid 1-ethylpyridinium ethylsulfate were determined at T = 323.15 K using the vapour pressure osmometry technique. From the experimental results, vapour pressure and activity coefficients can be determined. For the correlation of osmotic coefficients, the extended Pitzer model modified by Archer, and the modified NRTL (MNRTL) model were used, obtaining deviations lower than 0.017 and 0.047, respectively. The mean molal activity coefficients and the excess Gibbs free energy for the binary mixtures studied were determined from the parameters obtained with the extended Pitzer model modified by Archer.

  19. Characterization of catalytic supports based in mixed oxides for control reactions of NO and N{sub 2}O; Caracterizacion de soportes cataliticos basados en oxidos mixtos para reacciones de control de NO y N{sub 2}O

    Garcia C, M.A.; Perez H, R.; Gomez C, A.; Diaz, G. [Instituto Nacional de Investigaciones Nucleares, A.P. 18-1027, 11801 Mexico D.F. (Mexico)

    1999-07-01

    The catalytic supports Al{sub 2}O{sub 3}, La{sub 2}O{sub 3} and Al{sub 2}O{sub 3}-La{sub 2}O{sub 3} were prepared by the Precipitation and Coprecipitation techniques. The catalytic supports Al{sub 2}O{sub 3}, La{sub 2}O{sub 3} and Al{sub 2}O{sub 3}-La{sub 2}O{sub 3} were characterized by several techniques to determine: texture (Bet), crystallinity (XRD), chemical composition (Sem)(Ftir) and it was evaluated their total acidity by reaction with 2-propanol. The investigation will be continued with the cobalt addition and this will be evaluated for its catalytic activity in control reactions of N O and N{sub 2}O. (Author)

  20. Advances in the catalysts development in base of mixed oxides for control reactions of N{sub 2}O; Avances en el desarrollo de catalizadores a base de oxidos mixtos para reacciones de control de N{sub 2}O

    Garcia, M.A.; Perez, R.; Gomez, A.; Diaz, G. [Instituto Nacional de Investigaciones Nucleares, A.P. 18-1027, C.P. 11801 Mexico D.F. (Mexico)

    2000-07-01

    The catalytic supports Al{sub 2}O{sub 3}, La{sub 2}O{sub 3} and Al{sub 2}O{sub 3}-La{sub 2}O{sub 3} were prepared by the precipitation and coprecipitation techniques. The catalytic supports Al{sub 2}O{sub 3}, La{sub 2}O{sub 3} and Al{sub 2}O{sub 3}-La{sub 2}O{sub 3} were characterized by several techniques for to determine texture (BET), crystallinity (XRD), chemical composition (SEM), FTIR and it was evaluated their total acidity by the reaction with 2-propanol. It was continued with the cobalt addition by Impregnation and coprecipitation and it was evaluated its catalytic activity in the N{sub 2}O decomposition reaction. Also it was realized the N{sub 2}O reduction with Co using these catalysts. (Author)

  1. Effect of temperature on the enthalpies of formation of water- o-xylene-Triton X-100 microemulsions

    Batov, D. V.; Kartsev, V. N.; Shtykov, S. N.

    2013-03-01

    Enthalpies of solution for water- o-xylene-Triton X-100 (TX-100) microemulsions and their components in 2-propanol are determined thermochemically at 288.15, 298.15, and 313.15 K. Enthalpies of formation for the microemulsions are calculated using a thermochemical cycle. It is shown that the enthalpies of formation are negative and fall in moving from water/oil microemulsions to oil/water microemulsions. The obtained data show that strong molecular interactions between components in the investigated systems favor the formation of thermodynamically stable microemulsions. It is concluded that the spontaneous formation of the microemulsions can be due to both the entropy and enthalpy contributions to the change in free energy.

  2. Direct optical observation of the formation of some aliphatic alcohol radicals. A pulse radiolysis study

    E Janata

    2002-12-01

    The kinetics of the reactions of hydroxyl radicals and hydrogen atoms with some aliphatic alcohols in aqueous solutions were studied using pulse radiolysis. Based on the increase in optical absorption in the UV region, the rate constants for the reaction of hydroxyl radicals and hydrogen atoms with methanol, ethanol, 2-propanol or -butyl alcohol were determined to be 9.0 × 108, 2.2 × 109, 2.0 × 109, 6.2 × 108 and 1.1 × 106, 1.8 × 107, 5.3 × 107, 2.3 × 105 dm3 mol-1 s-1 respectively. The bimolecular decay rate constants for the alcohol radicals produced in methanol and ethanol were evaluated to be 2 .4 × 109 and 1.5 × 109 dm3 mol-1 s-1. The values observed are in fairly good agreement with those reported earlier.

  3. The electrical characterization of a multi-electrode odor detection sensor array based on the single SnO2 nanowire

    The variation of electrical properties of individual SnO2 wedge-like nanowire along its length was characterized comparatively in a vacuum, low-pressure oxygen environment and in synthetic air mixed with various analytes. For characterization, a vapor–solid grown nanowire was indexed with multiple Pt mesoscopic contacts fabricated by e-beam induced deposition from Pt containing metalorganic precursor. The surface of the selected nanowire segments was functionalized with a catalyst via deposition of Pd nanoparticles. Detailed analysis of the electrical properties of the nanowire shows that the effective diameter of the conducting channel of the nanowire can be substantially modified along its length by the surface functionalization and nanowire width change. These variations of the electrical properties of nanowire segments are sufficient for reliable discrimination of acetone, 2-propanol, CO and hydrogen by this elemental multisensor array.

  4. Derived thermodynamic properties of alcohol + cyclohexylamine mixtures

    IVONA R. RADOVIĆ

    2010-02-01

    Full Text Available Thermal expansion coefficients, α, excess thermal expansion coefficients, αE, isothermal coefficients of pressure excess molar enthalpy, (∂HE/∂pT,x, partial molar volumes, , partial molar volumes at infinite dilution, , partial excess molar volumes, , and partial excess molar volumes at infinite dilution, , were calculated using experimental densities and excess molar volumes, , data. All calculations are performed for the binary systems of cyclohexylamine with 1-propanol or 1-butanol or 2-butanol or 2-methyl-2-propanol. The Redlich–Kister polynomial and the reduced excess molar volume approach were used in the evaluation of these properties. In addition, the aim of this investigation was to provide a set of various volumetric data in order to asses the influence of temperature, chain length and position of hydroxyl group in the alcohol molecule on the molecular interactions in the examined binary mixtures.

  5. The plasma membrane proteome of germinating barley embryos

    Hynek, Radovan; Svensson, Birte; Jensen, O.N.;

    2009-01-01

    amphiphilicity and low abundance of membrane proteins. A fraction enriched in plasma membranes was prepared from embryos dissected from 18 h germinated barley seeds using aqueous two-phase partitioning. Reversed-phase chromatography on C-4 resin performed in micro-spin columns with stepwise elution by 2-propanol......Cereal seed germination involves a complex coordination between different seed tissues. Plasma membranes must play crucial roles in coordination and execution of germination; however, very little is known about seed plasma membrane proteomes due to limited tissue amounts combined with...... was used to reduce soluble protein contamination and enrich for hydrophobic proteins. Sixty-one proteins in 14 SDS-PAGE bands were identified by LC-MS/MS and database searches. The identifications provide new insight into the plasma membrane functions in seed germination....

  6. Ruthenium-Catalyzed Transfer Hydrogenation for C-C Bond Formation: Hydrohydroxyalkylation and Hydroaminoalkylation via Reactant Redox Pairs.

    Perez, Felix; Oda, Susumu; Geary, Laina M; Krische, Michael J

    2016-06-01

    Merging the chemistry of transfer hydrogenation and carbonyl or imine addition, a broad new family of redox-neutral or reductive hydrohydroxyalkylations and hydroaminomethylations have been developed. In these processes, hydrogen redistribution between alcohols and π-unsaturated reactants is accompanied by C-C bond formation, enabling direct conversion of lower alcohols to higher alcohols. Similarly, hydrogen redistribution between amines to π-unsaturated reactants results in direct conversion of lower amines to higher amines. Alternatively, equivalent products of hydrohydroxyalkylation and hydroaminomethylation may be generated through the reaction of carbonyl compounds or imines with π-unsaturated reactants under the conditions of 2-propanol-mediated reductive coupling. Finally, using vicinally dioxygenated reactants, that is, diol, ketols, or diones, successive transfer hydrogenative coupling occurs to generate 2 C-C bonds, resulting in products of formal [4+2] cycloaddition. PMID:27573275

  7. Growth of neodymium oxide this films by liquid injection MOCVD using a new neodymium alkoxide precursor

    Thin films of gadolinium oxide, GdOx, have been deposited by liquid injection MOCVD using the volatile gadolinium alkoxide precursor, [Gd(mmp)3] (mmp=1-methoxy-2-methyl-2-propanolate, OCMe2CH2OMe). Carbon-free GdOx films were grown over a wide range of substrate temperatures (300-600 C) on both Si(100) and GaAs(100) substrates. X-ray diffraction (XRD) data indicated that GdOx films grown on Si(100) were amorphous at low deposition temperatures, and crystalline with a C-type structure at growth temperatures of 450 C and above. GdOx films grown on GaAs at 450 C showed a strong preferred orientation, dominated by the (222) reflection. (Abstract Copyright [2004], Wiley Periodicals, Inc.)

  8. Photo catalytic degradation of organic pollutants diluted in water using TiO2 loaded on fluoride-modified hydrophobic meso porous silica

    The synthesis of the hydrophobic meso-porous silica (denoted as HMS(F)) was performed using tetraethyl orthosilicate (TEOS), tetraethylammonium fluoride (TEAF) as the source of the fluoride and dodecyl-amine (DDA) as templates. The TiO2 loaded on the hydrophobic HMS(F) (TiO2/HMS(F)) exhibited the efficient photo-catalytic performance for the degradation of alcohols (2-propanol and 2-hexanol) diluted in water. The amount of adsorption of alcohols and the photo-catalytic reactivity for the degradation increased with increasing the content of fluoride ions in these photo-catalysts. The hydrophobic meso-porous surface is suitable as photo-catalytic reaction field for the degradation of organic compounds diluted water. (authors)

  9. Pulmonary Toxicity of Perfluorinated Silane-Based Nanofilm Spray Products: Solvent Dependency

    Nørgaard, Asger Wisti; Hansen, Jitka S.; Sørli, Jorid Birkelund;

    2014-01-01

    A number of cases of pulmonary injury by use of aerosolized surface coating products have been reported worldwide. The aerosol from a commercial alcohol-based nanofilm product (NFP) for coating of nonabsorbing surfaces was found to induce severe lung damage in a recent mouse bioassay. The NFP...... POTS has been investigated. BALB/cA mice were exposed to aerosolized water-based NFPs containing POTS, and solutions of hydrolyzed POTS in methanol, ethanol, and 2-propanol, respectively. No acute respiratory effect was observed at exposure concentrations up to 110mg/m3 with an aqueous solution of POTS...... aerosolized POTS in methanol further exacerbated the tidal volume reduction, demonstrating that the concentration of vaporized solvent participated in the toxicity of POTS....

  10. Efecto de solvente sobre la descomposición térmica de trans-3,6-dimetil-3,6-difenil-1,2,4,5-tetraoxaciclohexano en solución

    Eyler Gladys N.

    2004-01-01

    Full Text Available The thermal decomposition reaction of trans-3,6-dimethyl-3,6-diphenyl-1,2,4,5-tetraoxacyclohexane (acetophenone cyclic diperoxide, DPAF, in different solvents (methanol, 1,4-dioxane, acetonitrile and 2-propanol/benzene mixtures in the initial concentration and temperature ranges of (4.2-10.5 x 10-3 M and 140.0 to 185.0 ºC, respectively, follows a pseudo first order kinetic law up to at least 70% DPAF conversion. An important solvent effect on the rate constant values, activation parameters (DH# and DS# and reaction products obtained in different solvents is detected, showing that the reaction is accelerated in alcohols.