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Sample records for molecules methanol methyl

  1. Structure and spectroscopic properties of N,S-coordinating 2-methyl-sulfanyl-N-[(1H-pyrrol-2-yl)methyl-idene]aniline methanol monosolvate.

    Science.gov (United States)

    Richards, D Douglas; Ang, M Trisha C; McDonald, Robert; Bierenstiel, Matthias

    2015-10-01

    The reaction of pyrrole-2-carboxaldehyde and 2-(methyl-sulfan-yl)aniline in refluxing methanol gave an olive-green residue in which yellow crystals of the title compound, C12H12N2S·CH3OH, were grown from slow evaporation of methanol at 263 K. In the crystal, hydrogen-bonding inter-actions link the aniline mol-ecule and a nearby methanol solvent mol-ecule. These units are linked by a pair of weak C-H⋯Omethanol interactions, forming inversion dimers consisting of two main molecules and two solvent molecules.

  2. Bubble point pressures of binary system of methanol and methyl propionate

    NARCIS (Netherlands)

    Shariati, A.; Florusse, L.J.; Kroon, M.C.; Peters, C.J.

    2016-01-01

    In this work, bubble point pressures of the system of methanol + methyl propionate were measured for several isopleths within temperature and pressure ranges of 382-444 K and 0.437-2.285 MPa, respectively. The vapor pressures of pure methanol and methyl propionate were also measured. The two-suffix

  3. A systematization of spectral data on the methanol molecule

    Science.gov (United States)

    Akhlyostin, A. Yu.; Voronina, S. S.; Lavrentiev, N. A.; Privezentsev, A. I.; Rodimova, O. B.; Fazliev, A. Z.

    2015-11-01

    Problems underlying a systematization of spectral data on the methanol molecule are formulated. Data on the energy levels and vacuum wavenumbers acquired from the published literature are presented in the form of information sources imported into the W@DIS information system. Sets of quantum numbers and labels used to describe the CH3OH molecular states are analyzed. The set of labels is different from universally accepted sets. A system of importing the data sources into W@DIS is outlined. The structure of databases characterizing transitions in an isolated CH3OH molecule is introduced and a digital library of the relevant published literature is discussed. A brief description is given of an imported data quality analysis and representation of the results obtained in the form of ontologies for subsequent computer processing.

  4. 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

    International Nuclear Information System (INIS)

    Marczak, Wojciech; Heintz, Andreas; Bucek, Monika

    2004-01-01

    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

  5. Neuroprotective effect of Buddleja cordata methanolic extract in the 1-methyl-4-phenylpyridinium Parkinson's disease rat model.

    Science.gov (United States)

    Pérez-Barrón, Gabriela; Avila-Acevedo, José Guillermo; García-Bores, Ana María; Montes, Sergio; García-Jiménez, Sara; León-Rivera, Ismael; Rubio-Osornio, Moisés; Monroy-Noyola, Antonio

    2015-01-01

    Parkinson's disease (PD) is a neurodegenerative disorder characterized by the irreversible loss of dopaminergic neurons in the nigrostriatal pathway with subsequent dopamine deficiency. Environmental causes have been proposed through molecules, such as 1-methyl-4-phenylpyridinium (MPP(+)), to induce oxidative stress. The methanolic extract of plants of the genus Buddleja has been reported to have in vitro and in vivo antioxidant properties to protect against neuronal death. In the present study, the neuroprotective effect of Buddleja cordata methanolic extract in the MPP(+) PD rat model was investigated. Animals were administered orally with 50 or 100 mg/kg of methanolic extract every 24 h for 14 days. Twenty hours later, rats were infused with an intrastriatal stereotaxic microinjection of 10 µg MPP(+) in 8 μl sterile saline solution. Six days later, the animals were treated with 1 mg/kg apomorphine to record ipsilateral rotations for 1 h. All the rats were killed by decapitation and the lesioned striatum was dissected for dopamine and lipid peroxidation quantifications. Both methanolic extract doses led to a significantly lower (P Buddleja cordata methanolic extract in the MPP(+) PD rat model, possibly due to the involvement of phenylpropanoids.

  6. Photocatalytic methanol assisted production of hydrogen with simultaneous degradation of methyl orange

    NARCIS (Netherlands)

    Sobral Romao, J.I.; Salata, Rafal; Park, Sun-Young; Mul, Guido

    2016-01-01

    Platinized TiO2 prepared by photodeposition was evaluated for activity in the simultaneous conversion of methyl orange (MO), and methanol assisted formation of hydrogen. Low concentrations of MO were found ineffective for generation of hydrogen in measurable quantities upon illumination of Pt/TiO2

  7. Adsorption of methanol molecule on graphene: Experimental results and first-principles calculations

    Science.gov (United States)

    Zhao, X. W.; Tian, Y. L.; Yue, W. W.; Chen, M. N.; Hu, G. C.; Ren, J. F.; Yuan, X. B.

    2018-04-01

    Adsorption properties of methanol molecule on graphene surface are studied both theoretically and experimentally. The adsorption geometrical structures, adsorption energies, band structures, density of states and the effective masses are obtained by means of first-principles calculations. It is found that the electronic characteristics and conductivity of graphene are sensitive to the methanol molecule adsorption. After adsorption of methanol molecule, bandgap appears. With the increasing of the adsorption distance, the bandgap, adsorption energy and effective mass of the adsorption system decreased, hence the resistivity of the system decreases gradually, these results are consistent with the experimental results. All these calculations and experiments indicate that the graphene-based sensors have a wide range of applications in detecting particular molecules.

  8. Photoinduced nuclear spin conversion of methyl groups of single molecules

    International Nuclear Information System (INIS)

    Sigl, A.

    2007-01-01

    A methyl group is an outstanding quantum system due to its special symmetry properties. The threefold rotation around one of its bond is isomorphic to the group of even permutations of the remaining protons, a property which imposes severe quantum restrictions on the system, for instance a strict correlation of rotational states with nuclear spin states. The resulting long lifetimes of the rotational tunneling states of the methyl group can be exploited for applying certain high resolution optical techniques, like hole burning or single molecule spectroscopy to optically switch the methyl group from one tunneling state to another therebye changing the nuclear spin of the protons. One goal of the thesis was to perform this switching in single methyl groups. To this end the methyl group was attached to a chromophoric system, in the present case terrylene, which is well suited for single molecule spectroscopy as well as for hole burning. Experiments were performed with the bare terrylene molecule in a hexadecane lattice which served as a reference system, with alphamethyl terrylene and betamethyl terrylene, both embedded in hexadecane, too. A single molecular probe is a highly sensitive detector for dynamic lattice instabilities. Already the bare terrylene probe showed a wealth of interesting local dynamic effects of the hexadecane lattice which could be well acounted for by the assumption of two nearly degenerate sites with rather different optical and thermal properties, all of which could be determined in a quantitative fashion. As to the methylated terrylene systems, the experiments verified that for betamethyl terrylene it is indeed possible to measure rotational tunneling events in single methyl groups. However, the spectral patterns obtained was much more complicated than expected pointing to the presence of three spectroscopically different methyl groups. In order to achieve a definite assignement, molecular mechanics simulations of the terrylene probes in the

  9. Fatty acid methyl esters synthesis from non-edible vegetable oils using supercritical methanol and methyl tert-butyl ether

    International Nuclear Information System (INIS)

    Lamba, Neha; Modak, Jayant M.; Madras, Giridhar

    2017-01-01

    Highlights: • FAMEs were synthesized from non-edible oils using supercritical MeOH and MTBE. • Effect of time, temperature, pressure and molar ratio on conversions was studied. • Rate constants of reaction with methanol and MTBE differ by an order of magnitude. • Non-catalytic supercritical reactions are one order faster than acid catalyzed synthesis. - Abstract: Fatty acid methyl esters (FAMEs) are useful as biodiesel and have environmental benefits compared to conventional diesel. In this study, these esters were synthesized non-catalytically from non-edible vegetable oils: neem oil and mahua oil with two different methylating agents: methanol and methyl tert-butyl ether (MTBE). The effects of temperature, pressure, time and molar ratio on the conversion of triglycerides were studied. The temperature was varied in the range of 523–723 K with molar ratios upto 50:1 and a reaction time of upto 150 min. Conversion of neem and mahua oil to FAMEs with supercritical methanol was found to be 83% in 15 min and 99% in 10 min, respectively at 698 K. Further, a conversion of 46% of mahua oil and 59% of neem oil was obtained in 15 min at 723 K using supercritical MTBE. The rate constants evaluated using pseudo first order reaction kinetics were in the range of 4.7 × 10"−"6 to 1.0 × 10"−"3 s"−"1 for the investigated range of temperatures. The activation energies obtained were in the range of 62–113 kJ/mol for the reaction systems investigated. The supercritical synthesis was found to be superior to the catalytic synthesis of the corresponding FAMEs.

  10. Self-diffusion and molecular association of acetylsalicylic acid and methyl salicylate in methanol- d4 in the temperature range 278-318 K

    Science.gov (United States)

    Golubev, V. A.; Kumeev, R. S.; Gurina, D. L.; Nikiforov, M. Yu.

    2017-05-01

    The effect of concentration on the self-diffusion coefficients of acetylsalicylic acid and methyl salicylate in methanol- d4 is investigated in the temperature range of 278-318 K using NMR. It is found that the self-diffusion coefficients increase along with temperature and fall as concentration rises. Within the limit of an infinitely dilute solution, the effective radii of solute molecules, calculated using the Stokes-Einstein equation shrink as the temperature grows. It is shown that the observed reduction of effective radii is associated with an increase in the fraction of solute monomers as the temperature rises. The physicochemical parameters of heteroassociation of acetylsalicylic acid and methyl salicylate with methanol are determined.

  11. NMR studies on graphite-methanol system

    International Nuclear Information System (INIS)

    El-Akkad, T.M.

    1977-01-01

    The nuclear magnetic relaxation times for protons of methanol on graphite have been studied. The perpendicular and the transversal magnetization as a function of temperature were measured. The results show that the presence of graphite slowed down the methanol movement compared with that in the pure alcohol, and that the methanol molecules are attached to the graphite surface via methyl groups. (author)

  12. Methyl phosphate formation as a major degradation mode of direct methanol fuel cells with phosphoric acid based electrolytes

    DEFF Research Database (Denmark)

    Aili, David; Vassiliev, Anton; Jensen, Jens Oluf

    2015-01-01

    Phosphoric acid and phosphoric acid doped polymer membranes are widely used as electrolytes in hydrogen based fuel cells operating at elevated temperatures. Such electrolytes have been explored for direct oxidation of methanol to further increase the versatility of the systems, however......, with demonstrated lifetimes of only a few days to weeks. In this work the methyl phosphate formation from the acid and methanol is identified and proposed to be a major mechanism for the cell degradation. Proton conductivity and fuel cell durability tests validate the mechanism at high methanol contents....

  13. Application of La-ZSM-5 Coated Silicon Carbide Foam Catalyst for Toluene Methylation with Methanol

    Directory of Open Access Journals (Sweden)

    Debarpita Ghosal

    2015-07-01

    Full Text Available The performance of toluene methylation reaction was studied on H-ZSM-5 catalyst modified with La, Ce and Nb at different percentage loading. It was found that 10% metal loading produced the best performance in the reaction in terms of toluene conversion. The catalyst was coated on silicon carbide foam support which showed better conversion than the pelleted catalyst. Again, among the treated and untreated H-ZSM-5, the La-ZSM-5 catalyst is chosen for the reaction for its highest selectivity towards xylene, the main product. All catalysts were characterized in terms of surface properties, SEM, XRD and NH3-TPD. Kinetic study was done on La-ZSM-5 catalyst with 10% loading. In this kineticstudy, Langmuir Hinshelwood kinetic model with surface reaction as rate controlling step was selected as the rate equation. The activation energy was found to be 47 kJ/mol. © 2015 BCREC UNDIP. All rights reserved. Received: 9th December 2014; Revised: 27th April 2015; Accepted: 29th April 2015  How to Cite: Ghosal, D., Basu, J.K., Sengupta, S. (2015. Application of La-ZSM-5 Coated Silicon Carbide Foam Catalyst for Toluene Methylation with Methanol. Bulletin of Chemical Reaction Engineering & Catalysis, 10 (2: 201-209. (doi:10.9767/bcrec.10.2.7872.201-209 Permalink/DOI: http://dx.doi.org/10.9767/bcrec.10.2.7872.201-209  

  14. Development of natural rubber membranes for separation of methyl tert-butyl ether and methanol

    International Nuclear Information System (INIS)

    Nur Azrini Ramlee; Ghazali Mohd Nawawi; Khairul Zaman Dahlan

    2010-01-01

    As a new commercial process, membrane separation raises significant expectations in the process plant of the future and therefore this research was being initiated to develop and characterize pervaporation membrane based on natural rubber (NR). Natural Rubber SMR-L grade which was supplied by Malaysia Rubber Research Institute (MRRI) was used for the development of the membranes via interpenetrating polymer network (IPN) techniques. Polystyrene (PS) was used to modify the natural rubber to further improve their mechanical and chemical properties. The membranes were prepared with various blend ratios of natural rubber, polystyrene and divinyl benzene as cross linker with constant 1 % of dicumyl peroxide as the initiator. The developed membranes were then characterized to study the functional group presence, membranes morphology, crosslink density, tear strength, adsorption of the membranes and pervaporation separation of Methyl-Tert-Butyl-Ether (MTBE) and Methanol. Pervaporation process was conducted by using varies of MTBE concentration 10, 30, 50 and 70 wt % and at differ operation temperature, 25 degree Celsius and 55 degree Celsius. Separation performance of IPN NR/ PS membranes were based on the presented permeation flux and separation factor. Examination through Fourier Transform Infrared Spectroscopy (FTIR), determined crosslink density and tear strength, 6 series of IPN NR/ PS membranes were successfully developed using natural rubber. Observation from Scanning Electron Microscopy (SEM) showed that the membranes were dense and appropriated for the pervaporation process application. From the pervaporation of MTBE and Methanol, IPN NR/ PS membranes of series D4N30 shown low permeation flux of MTBE but high separation factor while D2N70 membranes was vice versa for both temperature of 25 degree Celsius and 55 degree Celsius. (author)

  15. New Solid-Phase IR Spectra of Solar-System Molecules: Methanol, Ethanol, and Methanethiol

    Science.gov (United States)

    Hudson, Reggie L.; Gerakines, Perry A.; Ferrante, Robert F.

    2017-10-01

    The presence and abundances of organic molecules in extraterrestrial environments, such as on TNOs, can be determined with infrared (IR) spectroscopy, but significant challenges exist. Reference IR spectra for organics under relevant conditions are vital for such work, yet for many compounds such data either are lacking or fragmentary. In this presentation we describe new laboratory results for methanol (CH3OH), the simplest alcohol, which has been reported to exist in planetary and interstellar ices. Our new results include near- and mid-IR spectra, band strengths, and optical constants at various ice temperatures. Moreover, the influence of H2O-ice is examined. In addition to CH3OH, we also have new results for the related cometary molecules CH3SH and CH3CH2OH. Although IR spectra of such molecules have been reported by many groups over the past 60 years, our work appears to be the first to cover densities, refractive indices, band strengths and optical constants of both the amorphous and crystalline phases. Our results are compared to earlier work, the influence of literature assumptions is explored, and possible revisions to the literature are described. Support from the following is acknowledged: (a) NASA-SSERVI's DREAM2 program, (b) the NASA Astrobiology Institute's Goddard Center for Astrobiology, and (c) a NASA-APRA award.

  16. A study of the region of massive star formation L379IRS1 in radio lines of methanol and other molecules

    Science.gov (United States)

    Kalenskii, S. V.; Shchurov, M. A.

    2016-04-01

    The results of spectral observations of the region of massive star formation L379IRS1 (IRAS18265-1517) are presented. The observations were carried out with the 30-m Pico Veleta radio telescope (Spain) at seven frequencies in the 1-mm, 2-mm, and 3-mm wavelength bands. Lines of 24 molecules were detected, from simple diatomic or triatomic species to complex eight- or nine-atom compounds such as CH3OCHO or CH3OCH3. Rotation diagrams constructed from methanol andmethyl cyanide lines were used to determine the temperature of the quiescent gas in this region, which is about 40-50 K. In addition to this warm gas, there is a hot component that is revealed through high-energy lines of methanol and methyl cyanide, molecular lines arising in hot regions, and the presence of H2O masers and Class II methanol masers at 6.7 GHz, which are also related to hot gas. One of the hot regions is probably a compact hot core, which is located near the southern submillimeter peak and is related to a group of methanol masers at 6.7 GHz. High-excitation lines at other positions may be associated with other hot cores or hot post-shock gas in the lobes of bipolar outflows. The rotation diagrams can be use to determine the column densities and abundances of methanol (10-9) and methyl cyanide (about 10-11) in the quiescent gas. The column densities of A- and E-methanol in L379IRS1 are essentually the same. The column densities of other observedmolecules were calculated assuming that the ratios of the molecular level abundances correspond to a temperature of 40 K. The molecular composition of the quiescent gas is close to that in another region of massive star formation, DR21(OH). The only appreciable difference is that the column density of SO2 in L379IRS1 is at least a factor of 20 lower than the value in DR21(OH). The SO2/CS and SO2/OCS abundance ratios, which can be used as chemical clocks, are lower in L379IRS1 than in DR21(OH), suggesting that L379IRS1 is probably younger than DR21(OH).

  17. PERFORMANCE AND EMISSION STUDIES ON DI-DIESEL ENGINE FUELED WITH PONGAMIA METHYL ESTER INJECTION AND METHANOL CARBURETION

    Directory of Open Access Journals (Sweden)

    HARIBABU, N.

    2010-03-01

    Full Text Available The target of the present study is to clarify ignition characteristics, combustion process and knock limit of methanol premixture in a dual fuel diesel engine, and also to improve the trade-off between NOx and smoke markedly without deteriorating the high engine performance. Experiment was conducted to evaluate the performance and emission characteristics of direct injection diesel engine operating in duel fuel mode using Pongamia methyl ester injection and methanol carburetion. Methanol is introduced into the engine at different throttle openings along with intake air stream by a carburetor which is arranged at bifurcated air inlet. Pongamia methyl ester fuel was supplied to the engine by conventional fuel injection. The experimental results show that exhaust gas temperatures are moderate and there is better reduction of NOx, HC, CO and CO2 at methanol mass flow rate of 16.2 mg/s. Smoke level was observed to be low and comparable. Improved thermal efficiency of the engine was observed.

  18. Quantum mechanics capacitance molecular mechanics modeling of core-electron binding energies of methanol and methyl nitrite on Ag(111) surface.

    Science.gov (United States)

    Löytynoja, T; Li, X; Jänkälä, K; Rinkevicius, Z; Ågren, H

    2016-07-14

    We study a newly devised quantum mechanics capacitance molecular mechanics (QMCMM) method for the calculation of core-electron binding energies in the case of molecules adsorbed on metal surfaces. This yet untested methodology is applied to systems with monolayer of methanol/methyl nitrite on an Ag(111) surface at 100 K temperature. It was found out that the studied C, N, and O 1s core-hole energies converge very slowly as a function of the radius of the metallic cluster, which was ascribed to build up of positive charge on the edge of the Ag slab. Further analysis revealed that an extrapolation process can be used to obtain binding energies that deviated less than 0.5 eV against experiments, except in the case of methanol O 1s where the difference was as large as 1.8 eV. Additional QM-cluster calculations suggest that the latter error can be connected to the lack of charge transfer over the QM-CMM boundary. Thus, the results indicate that the QMCMM and QM-cluster methods can complement each other in a holistic picture of molecule-adsorbate core-ionization studies, where all types of intermolecular interactions are considered.

  19. Theoretical aspects of methyl acetate and methanol activation on MgO(100) and (501) catalyst surfaces with application in FAME production

    Energy Technology Data Exchange (ETDEWEB)

    Man, Isabela-Costinela, E-mail: isabela.man@g.unibuc.ro [University of Bucharest, Faculty of Chemistry, Department of Organic Chemistry, Biochemistry and Catalysis, 4-12 Regina Elisabeta Av., S3, 030018 Bucharest (Romania); Romanian Academy, ‘C.D. Nenitzescu’ Center of Organic Chemistry, 202B Spl. Independentei, 060023 Bucharest (Romania); Soriga, Stefan Gabriel [University Politehnica of Bucharest, Centre for Technology Transfer in the Process Industries, 1, Gh. Polizu Street, Building A, Room A056, RO-011061 Bucharest (Romania); Parvulescu, Vasile [University of Bucharest, Faculty of Chemistry, Department of Organic Chemistry, Biochemistry and Catalysis, 4-12 Regina Elisabeta Av., S3, 030018 Bucharest (Romania)

    2017-01-15

    Highlights: • Energetics of C−O and C−H bond dissociation and formation of MeOAc on MgO(100) indicate that the bond formations are favorable. • Energetics of C−O and C−H bond dissociation and formation of MeOAc on MgO(501) indicate that the C−O bond dissociation and C−H bond formations are favorable. • The coadsorbed MeOH facilitate O−H bond dissociation of MeOH compared to isolated molecule. • Provide further understanding of reactivity of MgO surfaces with application in transesterification and interesterification reactions. - Abstract: Density functional theory (DFT) calculations were carried out to study the activation of methyl acetate and methanol on MgO(100) and MgO(501) surfaces and integrated in the context of transesterification, interesterification and glycerolysis reactions used in biodiesel industry. First results indicate the importance of including of dispersion forces in the calculations. On MgO(100) the reverse reactions steps of C−O and C−H dissociations and on MgO(501) the same reverse reaction step of C−H dissociations of methyl acetate are energetically favorable, while the dissociation of C−O bond into methoxide and acetate fragments on the edge of MgO(501) was found to be exothermic with a low activation energy. For methanol, the dissociation of O−H bond on MgO(100) surface in the presence of the second coadsorbed methanol molecule becomes more energetically favoured compared to the isolated molecule, due to the fact that the methoxide fragment is stabilized by intermolecular hydrogen bonding. This is reflected by the decrease of the activation energy of the forward reaction step and the increase of the activation energy of the backward reaction step, increasing the probability to have dissociated molecules among the undissociated ones. These results represent a step forward for better understanding from atomistic point of view the paths of these reactions on these surfaces for the corresponding catalytic

  20. Femtosecond time-resolved photodissociation dynamics of methyl halide molecules on ultrathin gold films

    Directory of Open Access Journals (Sweden)

    Mihai E. Vaida

    2011-09-01

    Full Text Available The photodissociation of small organic molecules, namely methyl iodide, methyl bromide, and methyl chloride, adsorbed on a metal surface was investigated in real time by means of femtosecond-laser pump–probe mass spectrometry. A weakly interacting gold surface was employed as substrate because the intact adsorption of the methyl halide molecules was desired prior to photoexcitation. The gold surface was prepared as an ultrathin film on Mo(100. The molecular adsorption behavior was characterized by coverage dependent temperature programmed desorption spectroscopy. Submonolayer preparations were irradiated with UV light of 266 nm wavelength and the subsequently emerging methyl fragments were probed by photoionization and mass spectrometric detection. A strong dependence of the excitation mechanism and the light-induced dynamics on the type of molecule was observed. Possible photoexcitation mechanisms included direct photoexcitation to the dissociative A-band of the methyl halide molecules as well as the attachment of surface-emitted electrons with transient negative ion formation and subsequent molecular fragmentation. Both reaction pathways were energetically possible in the case of methyl iodide, yet, no methyl fragments were observed. As a likely explanation, the rapid quenching of the excited states prior to fragmentation is proposed. This quenching mechanism could be prevented by modification of the gold surface through pre-adsorption of iodine atoms. In contrast, the A-band of methyl bromide was not energetically directly accessible through 266 nm excitation. Nevertheless, the one-photon-induced dissociation was observed in the case of methyl bromide. This was interpreted as being due to a considerable energetic down-shift of the electronic A-band states of methyl bromide by about 1.5 eV through interaction with the gold substrate. Finally, for methyl chloride no photofragmentation could be detected at all.

  1. The 11C-radioisotopic study of methanol conversion on V-MCM-41; the influence of methyl iodide on the transformation

    International Nuclear Information System (INIS)

    Sarkadi-Priboczki, E.; Szelecsenyi, F.; Kovacs, Z.; Solmaz, A.; Balci, S.; Dogu, T.

    2007-01-01

    Complete text of publication follows. The MCM-41 mesoporous material has Lewis and even Bronsted acid sites to produce dimethyl ether with some hydrocarbons, while over metal modified MCM-41 mostly formaldehyde and dimethoxy methane (i.e. methylal) or methyl formate are produced. In present experiments V incorporated basically mild acid sites of MCM-41 was prepared by low temperature direct synthesis. The V-MCM-41 has enough main active Lewis sites (by V-) to form formaldehyde and also light Bronsted acid sites to let the adsorbed formaldehyde eliminate and afterwards, with methanol, to form dimethoxy methane in nonoxidative environment. This V-MCM-41 has been tested by ethanol conversion in non-oxidative environments too and diethoxy methane as main product was detected. In present work the methanol conversion, as well as the methanol co-reaction with methyl iodide are studied from the same V-MCM-41 sample using 11 C-technique. The 11 C-labelled radioactive methanol has been already applied for determination of methanol conversion rates on Cu-modified MCM-41. The V-MCM-41 was prepared by direct hydrothermal synthesis method. The adsorption rate of 11 C-methanol and, after the reaction, the desorption rate of the remaining 11 C-derivatives on catalyst were continuously detected by gamma detectors. The derivatives were analyzed by radio-gas chromatography (gas chromatograph with FID coupled on-line with a radioactivity detector). Both dimethyl ether and hydrocarbon formation are also in slight degrees according to weak Lewis and Bronsted acidities. Since the conversion was carried out without added oxygen gas, only the frame oxygen can take part into catalysis. In presence of non-radioactive methyl iodide, the radioactive methanol is converted to radioactive methyl iodide on V-MCM-41. The radio-GC analysis confirmed that the iodide induced change of the reaction performance was reversible i.e. the radioactive methyl iodide was regenerated to non-radioactive methyl

  2. Optimization of the synthesis of SAPO-11 for the methylation of naphthalene with methanol by varying templates and template content

    International Nuclear Information System (INIS)

    Wang, Xiaoxiao; Zhang, Wei; Zhao, Liangfu; Xiang, Hongwei; Guo, Shaoqing

    2013-01-01

    SAPO-11 zeolites were successfully synthesized by using three different templates (diethylamine (DEA), di-n-propylamine (DPA) and di-isopropylamine (DIPA)) and varying DPA contents (nDPA/Al 2 O 3 = 0.8, 1.2, 1.6 and 2.0) under hydrothermal conditions. The samples were characterized by powder X-ray diffractometry (XRD), scanning electron microscopy (SEM), N 2 adsorption-desorption, temperature programmed desorption of ammonia (NH 3 -TPD) and 29 Si magic angle spinning (MAS) nuclear magnetic resonance (NMR). The samples were also evaluated towards the methylation of naphthalene with methanol to produce 2,6-dimethylnaphthalene (2,6-DMN). XRD results indicated that the directing effect of the different templates for AEL (Aluminophosphate-ELeven) structure decreased in the order DPA > DEA > DIPA and the most suitable DPA content was nDPA/Al 2 O 3 = 1.2. N 2 adsorption-desorption results showed that SAPO-11(DPA,1.2) exhibited the broadest pore size distribution, the highest BET specific surface area and the largest pore volume among all the SAPO-11 samples. SAPO-11(DPA,1.2) exhibited high catalytic performances in the methylation of naphthalene due to its high crystallinity, high external surface and broad pore size distribution. The pore structure of SAPO-11 zeolite, rather than its acidity, played an important role in achieving high catalytic performances in the methylation of naphthalene with methanol. (author)

  3. Methyl vinyl glycolate as a diverse platform molecule

    DEFF Research Database (Denmark)

    Sølvhøj, Amanda Birgitte; Taarning, Esben; Madsen, Robert

    2016-01-01

    and various long-chain terminal olefins give unsaturated α-hydroxy fatty acid methyl esters in good yields. [3,3]-Sigmatropic rearrangements of MVG also proceed in good yields to give unsaturated adipic acid derivatives. Finally, rearrangement of the allylic acetate of MVG proceeds in acceptable yield...

  4. A new proton conducting membrane based on copolymer of methyl methacrylate and 2-acrylamido-2-methyl-1-propanesulfonic acid for direct methanol fuel cells

    International Nuclear Information System (INIS)

    Shen, Yi; Xi, Jingyu; Qiu, Xinping; Zhu, Wentao

    2007-01-01

    In this paper, a new kind of copolymer methyl methacrylate and 2-acrylamido-2-methyl-1-propanesulfonic acid (PAMPS-co-MMA) was synthesized by free radical polymerization. IR-spectrum and 1 H NMR were used to confirm the structure of the copolymers, and the thermal character of the copolymers was investigated with TGA and DSC. Flexible and transparent membranes based on this kind of copolymer were prepared by solution casting method. The physical properties including ionic exchange capability (IEC), water uptake, proton conductivity, methanol permeability and morphology of the membranes were investigated. These membranes showed higher water uptake though they had lower IEC compared with Nafion-117. The proton conductivity of the membrane with IEC of 0.9 mmol/g was 1.14 x 10 -2 S/cm and its methanol permeability coefficient was 5.46 x 10 -7 cm 2 /s, much lower than that of Nafion-117. Tests on cells were also carried out to measure the performance of the membrane

  5. Synthesis of methyl esters from relevant palm products in near-critical methanol with modified-zirconia catalysts.

    Science.gov (United States)

    Laosiripojana, N; Kiatkittipong, W; Sutthisripok, W; Assabumrungrat, S

    2010-11-01

    The transesterification and esterification of palm products i.e. crude palm oil (CPO), refined palm oil (RPO) and palm fatty acid distillate (PFAD) under near-critical methanol in the presence of synthesized SO(4)-ZrO(2), WO(3)-ZrO(2) and TiO(2)-ZrO(2) (with various sulfur- and tungsten loadings, Ti/Zr ratios, and calcination temperatures) were studied. Among them, the reaction of RPO with 20%WO(3)-ZrO(2) (calcined at 800 degrees C) enhanced the highest fatty acid methyl ester (FAME) yield with greatest stability after several reaction cycles; furthermore, it required shorter time, lower temperature and less amount of methanol compared to the reactions without catalyst. These benefits were related to the high acid-site density and tetragonal phase formation of synthesized WO(3)-ZrO(2). For further improvement, the addition of toluene as co-solvent considerably reduced the requirement of methanol to maximize FAME yield, while the addition of molecular sieve along with catalyst significantly increased FAME yield from PFAD and CPO due to the inhibition of hydrolysis reaction. Copyright 2010 Elsevier Ltd. All rights reserved.

  6. Optimization of the synthesis of SAPO-11 for the methylation of naphthalene with methanol by varying templates and template content

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Xiaoxiao [University of Chinese Academy of Sciences, Beijing (China); Zhang, Wei; Zhao, Liangfu; Xiang, Hongwei, E-mail: zw7234@sxicc.ac.cn, E-mail: lfzhao@sxicc.ac.cn [Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan (China); Guo, Shaoqing [Taiyuan University of Science and Technology, Taiyuan (China)

    2013-07-15

    SAPO-11 zeolites were successfully synthesized by using three different templates (diethylamine (DEA), di-n-propylamine (DPA) and di-isopropylamine (DIPA)) and varying DPA contents (nDPA/Al{sub 2}O{sub 3} = 0.8, 1.2, 1.6 and 2.0) under hydrothermal conditions. The samples were characterized by powder X-ray diffractometry (XRD), scanning electron microscopy (SEM), N{sub 2} adsorption-desorption, temperature programmed desorption of ammonia (NH{sub 3} -TPD) and {sup 29}Si magic angle spinning (MAS) nuclear magnetic resonance (NMR). The samples were also evaluated towards the methylation of naphthalene with methanol to produce 2,6-dimethylnaphthalene (2,6-DMN). XRD results indicated that the directing effect of the different templates for AEL (Aluminophosphate-ELeven) structure decreased in the order DPA > DEA > DIPA and the most suitable DPA content was nDPA/Al{sub 2}O{sub 3} = 1.2. N{sub 2} adsorption-desorption results showed that SAPO-11(DPA,1.2) exhibited the broadest pore size distribution, the highest BET specific surface area and the largest pore volume among all the SAPO-11 samples. SAPO-11(DPA,1.2) exhibited high catalytic performances in the methylation of naphthalene due to its high crystallinity, high external surface and broad pore size distribution. The pore structure of SAPO-11 zeolite, rather than its acidity, played an important role in achieving high catalytic performances in the methylation of naphthalene with methanol. (author)

  7. Protective effect of methanol extract of Uncaria rhynchophylla against excitotoxicity induced by N-methyl-D-aspartate in rat hippocampus.

    Science.gov (United States)

    Lee, Jongseok; Son, Dongwook; Lee, Pyeongjae; Kim, Dae-Keun; Shin, Min-Chul; Jang, Mi-Hyeon; Kim, Chang-Ju; Kim, Yong-Sik; Kim, Sun-Yeou; Kim, Hocheol

    2003-05-01

    Uncaria rhynchophylla is a medicinal herb used for convulsive disorders in Oriental medicine. In this study, the effect of the methanol extract of Uncaria rhynchophylla against N-methyl-D-aspartate (NMDA)-induced excitotoxicity was investigated. Pretreatment with the extract of Uncaria rhynchopylla reduced the degree of neuronal damage induced by NMDA exposure in cultured hippocampal slices. In the patch clamp study, Uncaria rhynchophylla significantly inhibited NMDA receptor-activated ion current in acutely dissociated hippocampal CA1 neurons. These results indicate that Uncaria rhynchophylla offers protection against NMDA-induced neuronal injury and inhibitory action on NMDA receptor-mediated ion current may be a mechanism behind the neuroprotective effect of Uncaria rhynchophylla.

  8. Multi-photon ionization of atoms and molecules by intense XUV-FEL light. Application to methanol and ethanol molecules

    Energy Technology Data Exchange (ETDEWEB)

    Sato, Takahiro; Iwasaki, Atsushi; Okino, Tomoya; Yamanouchi, Kaoru [Tokyo Univ., School of Science, Tokyo (Japan); Yagishita, Akira [Institute of Materials Structure Science, Photon Factory, Tsukuba, Ibaraki (Japan); Yazawa, Hiroki; Kannari, Fumihiko [Keio Univ., Graduate School of Science and Technology, Yokohama, Kanagawa (Japan); Aoyama, Makoto; Yamakawa, Koichi [Japan Atomic Energy Agency, Kansai Photon Science Inst., Kizugawa, Kyoto (Japan); Midorikawa, Katsumi [RIKEN, Laser Technology Laboratory, Wako, Saitama (Japan); Nakano, Hidetoshi [NTT Corp., NTT Basic Research Laboratories, Atsugi, Kanagawa (Japan); Yabashi, Makina; Nagasono, Mitsuru; Higashiya, Atsushi; Togashi, Tadashi; Ishikawa, Tetsuya [RIKEN SPring-8 XFEL Project, Sayo, Hyogo (Japan)

    2009-12-15

    The photo-ionization processes of methanol (CH{sub 3}OH, CD{sub 3}OH) and ethanol (C{sub 2}H{sub 5}OH) and their dependences on the wavelength and the light-field intensity were investigated using intense XUV light at 51 and 61 nm at the XUV free electron laser facility of RIKEN SPring-8 Center. The light field intensity achieved at 51 nm was found to be intense enough to generate Ar{sup 7+} from Ar. It was confirmed that (1) the stable dications, CH{sub 2}OH{sup 2+} and CH{sub 2}OD{sup 2+}, were produced respectively from CH{sub 3}OH and CD{sub 3}OH, and C{sub 2}H{sub 2}OH{sup 2+} from CH{sub 2}H{sub 5}OH via the direct and/or stepwise two-photon absorption, and (2) C{sup +} and CH{sup +} were produced from C{sub 2}H{sub 5}OH via the stepwise two-photon absorption of the XUV light. It was also confirmed by the formation of H{sub 3}O{sup +} from CH{sub 3}OH and C{sub 2}H{sub 5}OH, and HOD{sub 2}{sup +} from CD{sub 3}OH that hydrogen migration processes were induced by the irradiation of the intense XUV light. (author)

  9. Multi-photon ionization of atoms and molecules by intense XUV-FEL light. Application to methanol and ethanol molecules

    International Nuclear Information System (INIS)

    Sato, Takahiro; Iwasaki, Atsushi; Okino, Tomoya; Yamanouchi, Kaoru; Yagishita, Akira; Yazawa, Hiroki; Kannari, Fumihiko; Aoyama, Makoto; Yamakawa, Koichi; Midorikawa, Katsumi; Nakano, Hidetoshi; Yabashi, Makina; Nagasono, Mitsuru; Higashiya, Atsushi; Togashi, Tadashi; Ishikawa, Tetsuya

    2009-01-01

    The photo-ionization processes of methanol (CH 3 OH, CD 3 OH) and ethanol (C 2 H 5 OH) and their dependences on the wavelength and the light-field intensity were investigated using intense XUV light at 51 and 61 nm at the XUV free electron laser facility of RIKEN SPring-8 Center. The light field intensity achieved at 51 nm was found to be intense enough to generate Ar 7+ from Ar. It was confirmed that (1) the stable dications, CH 2 OH 2+ and CH 2 OD 2+ , were produced respectively from CH 3 OH and CD 3 OH, and C 2 H 2 OH 2+ from CH 2 H 5 OH via the direct and/or stepwise two-photon absorption, and (2) C + and CH + were produced from C 2 H 5 OH via the stepwise two-photon absorption of the XUV light. It was also confirmed by the formation of H 3 O + from CH 3 OH and C 2 H 5 OH, and HOD 2 + from CD 3 OH that hydrogen migration processes were induced by the irradiation of the intense XUV light. (author)

  10. Properties of cellulase as template molecule on chitosan—methyl methacrylate membrane

    Science.gov (United States)

    Lian, Qi; Zheng, Xuefang; Wu, Haixia; Song, Shitao; Wang, Dongjun

    2015-12-01

    In this study, a novel molecular imprinting membrane made of chitosan and methyl methacrylate (MMA) was fabricated with cellulase as template molecule and the thermal response to cellulase was characterized. The film was characterized by infrared spectroscopy (IR), X-ray diffraction (XRD), scanning electron microscopy (SEM) and the permeation experiment. The results showed that the space structure of the film was as similar as the cellulase. Moreover, the membrane had advanced molecular imprinting capability to cellulase comparing to pepsin and pectinase at any temperature and the film had excellent ability to identify specific template molecule (cellulase) at the synthesis temperature compared to other temperatures.

  11. Kinetics of exchange between zero-, one-, and two-hydrogen-bonded states of methyl and ethyl acetate in methanol.

    Science.gov (United States)

    Chuntonov, Lev; Pazos, Ileana M; Ma, Jianqiang; Gai, Feng

    2015-03-26

    It has recently been shown that the ester carbonyl stretching vibration can be used as a sensitive probe of local electrostatic field in molecular systems. To further characterize this vibrational probe and extend its potential applications, we studied the kinetics of chemical exchange between differently hydrogen-bonded (H-bonded) ester carbonyl groups of methyl acetate (MA) and ethyl acetate (EA) in methanol. We found that, while both MA and EA can form zero, one, or two H-bonds with the solvent, the population of the 2hb state in MA is significantly smaller than that in EA. Using a combination of linear and nonlinear infrared measurements and numerical simulations, we further determined the rate constants for the exchange between these differently H-bonded states. We found that for MA the chemical exchange reaction between the two dominant states (i.e., 0hb and 1hb states) has a relaxation rate constant of 0.14 ps(-1), whereas for EA the three-state chemical exchange reaction occurs in a predominantly sequential manner with the following relaxation rate constants: 0.11 ps(-1) for exchange between 0hb and 1hb states and 0.12 ps(-1) for exchange between 1hb and 2hb states.

  12. Synthesis of Hβ (core)/SAPO-11 (shell) Composite Molecular Sieve and its Catalytic Performances in the Methylation of Naphthalene with Methanol

    International Nuclear Information System (INIS)

    Wang, Xiaoxiao; Zhao, Liangfu; Guo, Shaoqing

    2013-01-01

    Hβ (core)/SAPO-11 (shell) composite molecular sieve was synthesized by the hydrothermal method in order to combine the advantages of Hβ and SAPO-11 for the methylation of naphthalene with methanol. For comparison, the mechanical mixture was prepared through the blending of Hβ and SAPO-11. The physicochemical properties of Hβ, SAPO-11, the composite and the mechanical mixture were characterized by various characterization methods. The characterization results indicated that Hβ/SAPO-11 composite molecular sieve exhibited a core-shell structure, with the Hβ phase as the core and the SAPO-11 phase as the shell. The pore diameter of the composite was between that of Hβ and SAPO-11. The composite had fewer acid sites than Hβ and mechanical mixture while more acid sites than SAPO-11. The experimental results indicated that the composite exhibited high catalytic performances for the methylation of naphthalene with methanol

  13. A rapid and efficient synthetic route to terminal arylacetylenes by tetrabutylammonium hydroxide- and methanol-catalyzed cleavage of 4-aryl-2-methyl-3-butyn-2-ols

    Directory of Open Access Journals (Sweden)

    Pengcheng Huang

    2011-04-01

    Full Text Available Tetrabutylammonium hydroxide with methanol as an additive was found to be a highly active catalyst for the cleavage of 4-aryl-2-methyl-3-butyn-2-ols. The reaction was performed at 55–75 °C and gave terminal arylacetylenes in good to excellent yields within several minutes. Compared with the usual reaction conditions (normally >110 °C, several hours, this novel catalyst system can dramatically decrease the reaction time under much milder conditions.

  14. Ultrasound assisted production of fatty acid methyl esters from transesterification of triglycerides with methanol in the presence of KOH catalyst: optimization, mechanism and kinetics.

    Science.gov (United States)

    Thanh, Le Tu; Okitsu, Kenji; Maeda, Yasuaki; Bandow, Hiroshi

    2014-03-01

    Ultrasound assisted transesterification of triglycerides (TG) with methanol in the presence of KOH catalyst was investigated, where the changes in the reactants and products (diglycerides (DG), monoglycerides (MG), fatty acid methyl esters (FAME) and glycerin (GL)) concentrations were discussed to understand the reaction mechanism and kinetics under ultrasound irradiation. The optimum reaction condition for the FAME production was the concentration of KOH 1.0 wt.%, molar ratio of TG to methanol of 1:6, and irradiation time of 25 min. The rate constants during the TG transesterification with methanol into GL and FAME were estimated by a curve fitting method with simulated curves to the obtained experimental results. The rate constants of [Formula: see text] were estimated to be 0.21, 0.008, 0.23, 0.005, 0.14 and 0.001 L mol(-1)min(-1), respectively. The rate determining step for the TG transesterification with methanol into GL and FAME was the reaction of MG with methanol into GL and FAME. Copyright © 2013 Elsevier B.V. All rights reserved.

  15. Collision dynamics of methyl radicals and highly vibrationally excited molecules using crossed molecular beams

    International Nuclear Information System (INIS)

    Chu, P.M.Y.

    1991-10-01

    The vibrational to translational (V→T) energy transfer in collisions between large highly vibrationally excited polyatomics and rare gases was investigated by time-of-flight techniques. Two different methods, UV excitation followed by intemal conversion and infrared multiphoton excitation (IRMPE), were used to form vibrationally excited molecular beams of hexafluorobenzene and sulfur hexafluoride, respectively. The product translational energy was found to be independent of the vibrational excitation. These results indicate that the probability distribution function for V→T energy transfer is peaked at zero. The collisional relaxation of large polyatomic molecules with rare gases most likely occurs through a rotationally mediated process. Photodissociation of nitrobenzene in a molecular beam was studied at 266 nm. Two primary dissociation channels were identified including simple bond rupture to produce nitrogen dioxide and phenyl radical and isomerization to form nitric oxide and phenoxy radical. The time-of-flight spectra indicate that simple bond rupture and isomerization occurs via two different mechanisms. Secondary dissociation of the phenoxy radicals to carbon monoxide and cyclopentadienyl radicals was observed as well as secondary photodissociation of phenyl radical to give H atom and benzyne. A supersonic methyl radical beam source is developed. The beam source configuration and conditions were optimized for CH 3 production from the thermal decomposition of azomethane. Elastic scattering of methyl radical and neon was used to differentiate between the methyl radicals and the residual azomethane in the molecular beam

  16. (μ-Acetato-κ2O:O′[μ-2,6-bis({bis[(pyridin-2-yl-κNmethyl]amino-κN}methyl-4-methylphenolato-κ2O:O](methanol-κOdizinc bis(perchlorate

    Directory of Open Access Journals (Sweden)

    Biswanath Das

    2014-04-01

    Full Text Available The binuclear title complex, [Zn2(C33H33N6O(CH3COO2(CH3OH](ClO42, was synthesized by the reaction between 2,6-bis({[bis(pyridin-2-ylmethyl]amino}methyl-4-methylphenol (H-BPMP, Zn(OAc2 and NaClO4. The two ZnII ions are bridged by the phenolate O atom of the octadentate ligand and the acetate group. An additional methanol ligand is terminally coordinated to one of the ZnII ions, rendering the whole structure unsymmetric. Other symmetric dizinc complexes of BPMP have been reported. However, to the best of our knowledge, the present structure, in which the two ZnII ions are distinguishable by the number of coordinating ligands and the coordination geometries (octahedral and square-pyramidal, is unique. The dizinc complex is a dication, and two perchlorate anions balance the charge. The –OH group of the coordinating methanol solvent molecule forms a hydrogen bond with a perchlorate counter-anion. One of the anions is disordered over two sets of sites with an occupancy ratio of 0.734 (2:0.266 (2.

  17. Radiation-induced polymerization monitored in situ by time-resolved fluorescence of probe molecules in methyl methacrylate

    International Nuclear Information System (INIS)

    Frahn, Mark S.; Abellon, Ruben D.; Luthjens, Leonard H.; Vermeulen, Martien J.W.; Warman, John M.

    2003-01-01

    A technique is presented for monitoring radiation-induced polymerizations in situ based on the measurement of the fluorescence lifetime of molecular probes dissolved in the polymerizing medium. This method is illustrated with results on methyl methacrylate (MMA) using two fluorogenic probe molecules; N-(2-anthracene)methacrylamide (AnMA) and maleimido-fluoroprobe (MFP), a molecule which has a highly dipolar excited state

  18. Crystal structures of fac-tri?chlorido?tris?(tri?methyl?phosphane-?P)rhodium(III) monohydrate and fac-tri?chlorido?tris?(tri?methyl?phosphane-?P)rhodium(III) methanol hemisolvate: rhodium structures that are isotypic with their iridium analogs

    OpenAIRE

    Merola, Joseph S.; Franks, Marion A.

    2015-01-01

    The crystal structures of two solvates of fac-tri-chlorido-tris-(tri-methyl-phosphane-κP)rhodium(III) are reported, i.e. one with water in the crystal lattice, fac-[RhCl3(Me3P)3]·H2O, and one with methanol in the crystal lattice, fac-[RhCl3(Me3P)3]·0.5CH3OH. These rhodium compounds exhibit distorted octahedral coordination spheres at the metal and are isotypic with the analogous iridium compounds previously reported by us [Merola et al. (2013 ▶). Polyhedron, 54, 67-73]. Comparison is made bet...

  19. Calorimetric determination of enthalpies for the proton ionization of N,N-bis[2-hydroxyethyl]-2-aminoethanesulfonic acid (BES) and N-tris[hydroxymethyl]methyl-2-aminoethanesulfonic acid (TES) in water-methanol mixtures

    International Nuclear Information System (INIS)

    Bulos, B.N.; Jumean, F.H.

    2004-01-01

    The enthalpies of proton ionization of the biochemical buffers N,N-bis[2-hydroxyethyl]-2-aminoethanesulfonic acid (BES) and N-tris[hydroxymethyl]methyl-2-aminoethanesulfonic acid (TES) were obtained in water-methanol mixtures in which the methanol mole fraction (X m ) varied in the range 0-0.36. For both buffers, ionization enthalpy for the first proton (ΔH 1 ) was small in all solvent media. However, upon addition of methanol, ΔH 2 increased steadily from 22.2 to a maximum of 27.2 kJ mol -1 for BES, whereas for TES it varied from 30.0 to 32.4, with a minimum of 28.6 kJ mol -1 at X m =0.123. It is noteworthy that this solvent composition lies within the region of maximum structure enhancement of water by methanol. The results were interpreted in terms of methanol-water interactions

  20. Solvent extraction of lanthanide ions with 1-Phenyl-3-Methyl-4-Benzoyl-Pyrazolone-5 (HPMBP), 2. Extraction of Erbium(III), Ytterbium(III) and Lutetium(III) by HPMBP from aqueous-methanol solutions

    International Nuclear Information System (INIS)

    Czakis-Sulikowska, D.M.; Kuznik, B.; Malinowska, A.

    1990-01-01

    The solvent extraction of lanthanides(III)(Ln = Er, Yb, Lu) by 1-phenyl-3-methyl-4-benzoyl-pyrazolone-5 (HL) in carbon tetrachloride from aqueous-methanol phase was investigated. The equilibrium constants for the extraction from aqueous-50 % (ν/ν) methanol phase (K ex ), two-phase stability constants of the complexes LnL 3 (β 3 * ) and stability constants of complexes LnL 2+ , LnL 2 + , LnL 3 (β n )(Ln = Yb, Lu) were calculated. It was confirmed that the addition of methanol to the aqueous phase causes a synergistic effect. The influence of methanol on the dissociation constant of HPMBP (K a ) and the distribution constant of HPMBP (p HL ) between carbon tetrachloride and water-methanol solutions was investigated. (Authors)

  1. Attractive and repulsive interactions among methanol molecules in supercritical state investigated by Raman spectroscopy and perturbed hard-sphere theory.

    Science.gov (United States)

    Saitow, Ken-ichi; Sasaki, Jungo

    2005-03-08

    The short-range structure of supercritical methanol (CH(3)OH) is investigated by measuring the spontaneous Raman spectra of the C-O stretching mode. The spectra are obtained at a reduced temperature, T(r)=T/T(c)=1.02 (522.9 K), which permits the neat fluid to be studied isothermally as a function of density. As the density increases, the spectral peaks shift toward the lower energy side and the spectra broaden. In the supercritical region, the amount of shifting shows nonlinear density dependence and the width becomes anomalously large. We use the perturbed hard-sphere model to analyze these density dependencies along the vibrational coordinate. The amount of shifting is decomposed into attractive and repulsive components, and the changes in attractive and repulsive energies are evaluated as functions of density and packing fraction, both of which are continuously varied by a factor of 120. Here we show that the shift amount consists principally of the attractive component at all densities, since the attractive energy is about eight times the repulsive energy. The density dependence of the widths is analyzed by calculating homogeneous and inhomogeneous widths as a function of density. The results show that, although vibrational dephasing and density inhomogeneity contribute similarly to the width at low and middle densities, at high density the main contributor turns out to be the vibrational dephasing. We estimate the local density enhancements of supercritical CH(3)OH as function of bulk density by two methods. The results of these analyses show common features, and both the estimated local density enhancements of CH(3)OH are considerably larger than the local density enhancements of simple fluids, i.e., those having nonhydrogen bonding. It is revealed that the local density of supercritical CH(3)OH is 40%-60% greater than the local densities of the simple fluids. We also estimate the local density fluctuation using the obtained values of attractive shift

  2. Attempts To Catalyze the Electrochemical CO2-to-Methanol Conversion by Biomimetic 2e(-) + 2H(+) Transferring Molecules.

    Science.gov (United States)

    Saveant, Jean-Michel; Tard, Cédric

    2016-01-27

    In the context of the electrochemical and photochemical conversion of CO2 to liquid fuels, one of the most important issues of contemporary energy and environmental issues, the possibility of pushing the reduction beyond the CO and formate level and catalytically generate products such as methanol is particularly attractive. Biomimetic 2e(-) + 2H(+) is often viewed as a potential hydride donor. This has been the object of a recent interesting attempt (J. Am. Chem. Soc. 2014, 136, 14007) in which 6,7-dimethyl-4-hydroxy-2-mercaptopteridine was reported as a catalyst of the electrochemical conversion of CO2 to methanol and formate, based on cyclic voltammetric, (13)C NMR, IR, and GC analyses. After checking electrolysis at the reported potential and at a more negative potential to speed up the reaction, it appears, on (1)H NMR and gas chromatographic grounds, that there is neither catalysis nor methanol and nor formate production. (1)H NMR (with H2O presaturation) brings about an unambiguous answer to the eventual production of methanol and formate, much more so than (13)C NMR, which can even be misleading when no internal standard is used as in the above-mentioned paper. IR analysis is even less conclusive. Use of a GC technique with sufficient sensitivity confirmed the lack of methanol formation. The direct or indirect hydride transfer electrochemical reduction of CO2 to formate and to methanol remains an open question. Original ideas and efforts such as those discussed here are certainly worth tempting. However, in view of the importance of the stakes, it appears necessary to carefully check reports in this area.

  3. X-ray Pump–Probe Investigation of Charge and Dissociation Dynamics in Methyl Iodine Molecule

    Directory of Open Access Journals (Sweden)

    Li Fang

    2017-05-01

    Full Text Available Molecular dynamics is of fundamental interest in natural science research. The capability of investigating molecular dynamics is one of the various motivations for ultrafast optics. We present our investigation of photoionization and nuclear dynamics in methyl iodine (CH3I molecule with an X-ray pump X-ray probe scheme. The pump–probe experiment was realized with a two-mirror X-ray split and delay apparatus. Time-of-flight mass spectra at various pump–probe delay times were recorded to obtain the time profile for the creation of high charge states via sequential ionization and for molecular dissociation. We observed high charge states of atomic iodine up to 29+, and visualized the evolution of creating these high atomic ion charge states, including their population suppression and enhancement as the arrival time of the second X-ray pulse was varied. We also show the evolution of the kinetics of the high charge states upon the timing of their creation during the ionization-dissociation coupled dynamics. We demonstrate the implementation of X-ray pump–probe methodology for investigating X-ray induced molecular dynamics with femtosecond temporal resolution. The results indicate the footprints of ionization that lead to high charge states, probing the long-range potential curves of the high charge states.

  4. Methanol production by Mycobacterium smegmatis

    International Nuclear Information System (INIS)

    Weisman, L.S.; Ballou, C.E.

    1988-01-01

    Mycobacterium smegmatis cells produce [ 3 H]methanol when incubated with [methyl- 3 H]methionine. The methanol is derived from S-adenosylmethionine rather than methyltetrahydrofolate. M. smegmatis cells carboxymethylate several proteins, and some of the methanol probably results from their demethylation, but most of the methanol may come from an unidentified component with a high gel mobility. Although methanol in the medium reached 19 μM, it was not incorporated into the methylated mannose polysaccharide, a lipid carrier in this organism

  5. Activity coefficients at infinite dilution and enthalpies of solution of methanol, 1-butanol, and 1-hexanol in 1-hexyl-3-methyl-imidazolium bis(trifluoromethyl-sulfonyl) imide

    International Nuclear Information System (INIS)

    Heintz, Andreas; Verevkin, Sergey P.; Lehmann, Jochen K.; Vasiltsova, Tatiana V.; Ondo, Daniel

    2007-01-01

    Activity coefficients at infinite dilution γ i ∼ of methanol, 1-butanol, and 1-hexanol in the ionic liquid 1-hexyl-3-methyl-imidazolium bis(trifluoromethyl-sulfonyl) imide ([HMIM][NTf 2 ]) have been determined by gas chromatography using the ionic liquids as stationary phase. The measurements were carried out at different temperatures between 298K and 396K. From the temperature dependence of the limiting activity coefficients partial molar excess enthalpies at infinite dilution H i E,∼ of the alcohol in the ionic liquid have been derived. Additionally, enthalpies of solution of the same alcohols in the [HMIM][NTf 2 ] have been measured at T=298.15K in the range of low concentrations using titration calorimetry. Results at infinite dilution, H i E,∼ , are compared with those indirectly obtained from activity coefficients in infinite dilution γ i ∼ . Within the experimental error of both methods thermodynamic consistency has been confirmed

  6. Adsorption kinetics and dynamics of small organic molecules on a silica wafer: Butane, pentane, nonane, thiophene, and methanol adsorption on SiO2/Si(1 1 1)

    International Nuclear Information System (INIS)

    Funk, S.; Goering, J.; Burghaus, U.

    2008-01-01

    The adsorption kinetics (by thermal desorption spectroscopy) and adsorption dynamics (by molecular beam scattering) have been determined for a number of alkanes, methanol, thiophene, and water on a silica wafer-SiO 2 /Si(1 1 1). No indications for bond activation were present, i.e., all probe molecules adsorb molecularly obeying 1st order kinetics. The coverage-dependent heat of adsorption has been determined accordingly. The adsorption dynamics are precursor-mediated with Kisliuk-like shapes of the adsorption probabilities at low impact energies and adsorbate-assisted adsorption at large impact energies

  7. Pichia pastoris Mut(S) strains are prone to misincorporation of O-methyl-L-homoserine at methionine residues when methanol is used as the sole carbon source.

    Science.gov (United States)

    Schotte, Peter; Dewerte, Isabelle; De Groeve, Manu; De Keyser, Saskia; De Brabandere, Veronique; Stanssens, Patrick

    2016-06-07

    Over the last few decades the methylotrophic yeast Pichia pastoris has become a popular host for a wide range of products such as vaccines and therapeutic proteins. Several P. pastoris engineered strains and mutants have been developed to improve the performance of the expression system. Yield and quality of a recombinant product are important parameters to monitor during the host selection and development process but little information is published regarding quality differences of a product produced by different P. pastoris strains. We compared titer and quality of several Nanobodies(®) produced in wild type and Mut(S) strains. Titer in fed-batch fermentation was comparable between all strains for each Nanobody but a significant difference in quality was observed. Nanobodies expressed in Mut(S) strains contained a product variant with a Δ-16 Da mass difference that was not observed in wild type strains. This variant showed substitution of methionine residues due to misincorporation of O-methyl-L-homoserine, also called methoxine. Methoxine is likely synthesized by the enzymatic action of O-acetyl homoserine sulfhydrylase and we confirmed that Nanobodies produced in the corresponding knock-out strain contained no methoxine variants. We could show the incorporation of methoxine during biosynthesis by its addition to the culture medium. We showed that misincorporation of methoxine occurs particularly in P. pastoris Mut(S) strains. This reduction in product quality could outweigh the advantages of using Mut strains, such as lower oxygen and methanol demand, heat formation and in some cases improved expression. Methoxine incorporation in recombinant proteins is likely to occur when an excess of methanol is present during fermentation but can be avoided when the methanol feed rate protocol is carefully designed.

  8. Calorimetric determination of enthalpies for the proton ionization of N,N-bis[2-hydroxyethyl]-2-aminoethanesulfonic acid (BES) and N-tris[hydroxymethyl]methyl-2-aminoethanesulfonic acid (TES) in water-methanol mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Bulos, B.N.; Jumean, F.H

    2004-02-19

    The enthalpies of proton ionization of the biochemical buffers N,N-bis[2-hydroxyethyl]-2-aminoethanesulfonic acid (BES) and N-tris[hydroxymethyl]methyl-2-aminoethanesulfonic acid (TES) were obtained in water-methanol mixtures in which the methanol mole fraction (X{sub m}) varied in the range 0-0.36. For both buffers, ionization enthalpy for the first proton ({delta}H{sub 1}) was small in all solvent media. However, upon addition of methanol, {delta}H{sub 2} increased steadily from 22.2 to a maximum of 27.2 kJ mol{sup -1} for BES, whereas for TES it varied from 30.0 to 32.4, with a minimum of 28.6 kJ mol{sup -1} at X{sub m}=0.123. It is noteworthy that this solvent composition lies within the region of maximum structure enhancement of water by methanol. The results were interpreted in terms of methanol-water interactions.

  9. Synthesis of Novel p-tert-Butylcalix[4]arene Derivative: Structural Characterization of a Methanol Inclusion Compound

    Directory of Open Access Journals (Sweden)

    Silvana Moris

    2016-09-01

    Full Text Available A p-tertbutylcalix[4]arene derivative was synthesized from a reaction of the diisothiocyanate p-tertbutylcalix[4]arene, obtaining crystals that were then characterized by mass spectroscopy, Raman spectroscopy, and single-crystal X-ray diffraction. The molecule presents two acid carbamothioic-n-ethoxy-methyl-ester substituent groups. Through crystallization of this compound, it was also found that it includes a methanol molecule within the aromatic cavity. The inclusion of the methanol molecule is due to favorable CH∙∙∙π interactions.

  10. Inhibition of TNFα-induced adhesion molecule expression by (Z)-(S)-9-octadecenamide, N-(2-hydroxyethyl,1-methyl).

    Science.gov (United States)

    Chen, Caixia; Jin, Xin; Meng, Xianglan; Zheng, Chengwei; Shen, Yanhui; Wang, Yiqing

    2011-06-25

    Inflammation is a primary event in atherogenesis. Oleoylethanolamide (OEA), a naturally occurring fatty-acid ethanolamide, lowers lipid levels in liver and blood through activation of the nuclear receptor, peroxisome proliferator-activated receptor-alpha (PPARα). We designed and synthesized (Z)-(S)-9-octadecenamide, N-(2-hydroxyethyl, 1-methyl) (OPA), an OEA analog. The present study investigated the effect of OPA on the expression of adhesion molecules in human umbilical vein endothelial cells (HUVEC). OPA inhibited expression of vascular cell adhesion molecule-1 (VCAM-1) and intercellular adhesion molecule-1 (ICAM-1) stimulated by Tumor Necrosis Factor-α (TNF-α) via activation of PPARα. This inhibition of VCAM-1 and ICAM-1 expression decreased adhesion of monocyte-like cells to stimulated endothelial cells. These results demonstrate that OPA may have anti-inflammatory properties. Our results thus provide new insights into possible future therapeutic approaches to the treatment of atherosclerosis. Copyright © 2011 Elsevier B.V. All rights reserved.

  11. Pre-electrospray ionisation manifold methylation and post-electrospray ionisation manifold cleavage/ion cluster formation observed during electrospray ionisation of chloramphenicol in solutions of methanol and acetonitrile for liquid chromatography-mass spectrometry employing a commercial quadrupole ion trap mass analyser.

    Science.gov (United States)

    Sichilongo, Kwenga F; Famuyiwa, Samson O; Kibechu, Rose

    2011-01-01

    We have observed unusual mass spectra of chloramphenicol (CAP) in solutions of methanol or acetonitrile showing intense ions at m/z 297, m/z 311, m/z 325 and m/z 339. The observed ions were different from those which are traditionally observed in the full scan ESI mass spectra of CAP with ions of m/z 321, m/z 323 and m/z 325. We have evidence to show that this process starts with offline methylation of CAP in solutions of methanol or acetonitrile to give m/z 339. Investigations using nuclear magnetic resonance (NMR) spectroscopy showed that there is a methylene group somewhere within the CAP molecule but not attached to any of the carbon atoms when the CAP is dissolved in methanol or acetonitrile before infusion into the mass spectrometer. The possible locations of attachment were speculated to be the electronegative atoms apart from the chlorine atoms due to valence considerations. The methylene group is attached to the nitrogen atom and forms a bond as observed in the MS/MS spectra of m/z 297, m/z 311, m/z 325 and m/z 339 which give m/z 183 as the base peak in all cases. Further experiments showed that there is cleavage of the methylated CAP molecule followed by cluster ion formation involving addition of methylene groups to the CAP fragment with m/z 183 to produce ions of m/z including m/z 297, m/z 311, m/z 325 and m/z 339. This process occurs in the mass spectrometer in the region housing the tube lens and is triggered when the ions are accelerated through this region by application of a negative tube lens offset voltage. This region affords collision of the charged droplets with a collision gas in this case nitrogen to strip the droplets of their solvent molecules. Experiments to follow the intensities of m/z 183, m/z 311, m/z 321, m/z 323, m/z 325 and m/z 339 as the tube lens offset voltage was varied were done in which the intensities of m/z 311, m/z 325 and m/z 339 were observed to be at their peak when the tube lens offset voltage was set at -40 V. When

  12. Sorption of methanol in alkali exchange zeolites

    NARCIS (Netherlands)

    Rep, M.; Rep, M.; Corma, Avelino; Palomares, A.E.; Palomares gimeno, A.E.; van Ommen, J.G.; Lefferts, Leonardus; Lercher, J.A.

    2000-01-01

    Metal cation methanol sorption complexes in MFI (ZSM5), MOR and X have been studied by in situ i.r. spectroscopy in order to understand the nature of interactions of methanol in the molecular sieve pores. The results show that (a) a freely vibrating hydroxy and methyl group of methanol exist on

  13. 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

    International Nuclear Information System (INIS)

    Miyano, Yoshimori; Kobashi, Takahiro; Shinjo, Hiroshi; Kumada, Shinya; Watanabe, Yusuke; Niya, Wataru; Tateishi, Yoko

    2006-01-01

    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

  14. Photoinduced nuclear spin conversion of methyl groups of single molecules; Photoinduzierte Kernspinkonversion von Methylgruppen an einzelnen Molekuelen. Lochbrenn- und Einzelmolekuelspektroskopie an Terrylen und Methylderivaten

    Energy Technology Data Exchange (ETDEWEB)

    Sigl, A.

    2007-12-28

    A methyl group is an outstanding quantum system due to its special symmetry properties. The threefold rotation around one of its bond is isomorphic to the group of even permutations of the remaining protons, a property which imposes severe quantum restrictions on the system, for instance a strict correlation of rotational states with nuclear spin states. The resulting long lifetimes of the rotational tunneling states of the methyl group can be exploited for applying certain high resolution optical techniques, like hole burning or single molecule spectroscopy to optically switch the methyl group from one tunneling state to another therebye changing the nuclear spin of the protons. One goal of the thesis was to perform this switching in single methyl groups. To this end the methyl group was attached to a chromophoric system, in the present case terrylene, which is well suited for single molecule spectroscopy as well as for hole burning. Experiments were performed with the bare terrylene molecule in a hexadecane lattice which served as a reference system, with alphamethyl terrylene and betamethyl terrylene, both embedded in hexadecane, too. A single molecular probe is a highly sensitive detector for dynamic lattice instabilities. Already the bare terrylene probe showed a wealth of interesting local dynamic effects of the hexadecane lattice which could be well acounted for by the assumption of two nearly degenerate sites with rather different optical and thermal properties, all of which could be determined in a quantitative fashion. As to the methylated terrylene systems, the experiments verified that for betamethyl terrylene it is indeed possible to measure rotational tunneling events in single methyl groups. However, the spectral patterns obtained was much more complicated than expected pointing to the presence of three spectroscopically different methyl groups. In order to achieve a definite assignement, molecular mechanics simulations of the terrylene probes in the

  15. On-line monitoring of methanol and methyl formate in the exhaust gas of an industrial formaldehyde production plant by a mid-IR gas sensor based on tunable Fabry-Pérot filter technology.

    Science.gov (United States)

    Genner, Andreas; Gasser, Christoph; Moser, Harald; Ofner, Johannes; Schreiber, Josef; Lendl, Bernhard

    2017-01-01

    On-line monitoring of key chemicals in an industrial production plant ensures economic operation, guarantees the desired product quality, and provides additional in-depth information on the involved chemical processes. For that purpose, rapid, rugged, and flexible measurement systems at reasonable cost are required. Here, we present the application of a flexible mid-IR filtometer for industrial gas sensing. The developed prototype consists of a modulated thermal infrared source, a temperature-controlled gas cell for absorption measurement and an integrated device consisting of a Fabry-Pérot interferometer and a pyroelectric mid-IR detector. The prototype was calibrated in the research laboratory at TU Wien for measuring methanol and methyl formate in the concentration ranges from 660 to 4390 and 747 to 4610 ppmV. Subsequently, the prototype was transferred and installed at the project partner Metadynea Austria GmbH and linked to their Process Control System via a dedicated micro-controller and used for on-line monitoring of the process off-gas. Up to five process streams were sequentially monitored in a fully automated manner. The obtained readings for methanol and methyl formate concentrations provided useful information on the efficiency and correct functioning of the process plant. Of special interest for industry is the now added capability to monitor the start-up phase and process irregularities with high time resolution (5 s).

  16. Facet-specific interaction between methanol and TiO2 probed by sum-frequency vibrational spectroscopy.

    Science.gov (United States)

    Yang, Deheng; Li, Yadong; Liu, Xinyi; Cao, Yue; Gao, Yi; Shen, Y Ron; Liu, Wei-Tao

    2018-04-24

    The facet-specific interaction between molecules and crystalline catalysts, such as titanium dioxides (TiO 2 ), has attracted much attention due to possible facet-dependent reactivity. Using surface-sensitive sum-frequency vibrational spectroscopy, we have studied how methanol interacts with different common facets of crystalline TiO 2 , including rutile(110), (001), (100), and anatase(101), under ambient temperature and pressure. We found that methanol adsorbs predominantly in the molecular form on all of the four surfaces, while spontaneous dissociation into methoxy occurs preferentially when these surfaces become defective. Extraction of Fermi resonance coupling between stretch and bending modes of the methyl group in analyzing adsorbed methanol spectra allows determination of the methanol adsorption isotherm. The isotherms obtained for the four surfaces are nearly the same, yielding two adsorbed Gibbs free energies associated with two different adsorption configurations singled out by ab initio calculations. They are ( i ) ∼-20 kJ/mol for methanol with its oxygen attached to a low-coordinated surface titanium, and ( ii ) ∼-5 kJ/mol for methanol hydrogen-bonded to a surface oxygen and a neighboring methanol molecule. Despite similar adsorption energetics, the Fermi resonance coupling strength for adsorbed methanol appears to depend sensitively on the surface facet and coverage.

  17. Tar removal from biosyngas in the biomass gasification process. (Liquid + liquid) equilibrium {water + solvent (paraxylene and methyl hexadecanoate) + model molecules of tar (benzene, toluene, phenol)}

    International Nuclear Information System (INIS)

    Bassil, Georgio; Mokbel, Ilham; Abou Naccoul, Ramy; Stephan, Juliette; Jose, Jacques; Goutaudier, Christelle

    2012-01-01

    Highlights: ► (Liquid + liquid) equilibria at atmospheric pressure. ► Solubility of benzene (or toluene or phenol) in paraxylene at (303 to 343) K. ► Solubility of benzene (or toluene or phenol) in methyl palmitate or methyl hexadecanoate at (303 to 343) K. ► Correlation of LLE using NRTL model. - Abstract: Tar is generated in the process by the condensation of the gas resulting from biomass gasification. The objective of this work is a contribution to the database on thermodynamic quantity which will be useful at the operation of tar removal from aqueous medium. With this aim, (liquid + liquid) equilibrium of {water + solvent (paraxylene and methyl hexadecanoate) + model molecules of tar (benzene, toluene, phenol)} was studied at temperatures (303.2, 323.2, and 343.2) K. The data obtained were correlated with the non-random two-liquid (NRTL) model.

  18. Process assessment of small scale low temperature methanol synthesis

    Energy Technology Data Exchange (ETDEWEB)

    Hendriyana [Chemical Engineering Department, Faculty of Engineering, Jenderal Achmad Yani Univerity (Indonesia); Chemical Engineering Department, Faculty of Industrial Technology, InstitutTeknologi Bandung (Indonesia); Susanto, Herri, E-mail: herri@che.itb.ac.id; Subagjo [Chemical Engineering Department, Faculty of Industrial Technology, InstitutTeknologi Bandung (Indonesia)

    2015-12-29

    Biomass is a renewable energy resource and has the potential to make a significant impact on domestic fuel supplies. Biomass can be converted to fuel like methanol via several step process. The process can be split into following main steps: biomass preparation, gasification, gas cooling and cleaning, gas shift and methanol synthesis. Untill now these configuration still has a problem like high production cost, catalyst deactivation, economy of scale and a huge energy requirements. These problems become the leading inhibition for biomass conversion to methanol, which should be resolved to move towards the economical. To address these issues, we developed various process and new configurations for methanol synthesis via methyl formate. This configuration combining two reactors: the one reactor for the carbonylation of methanol and CO to form methyl formate, and the second for the hydrogenolysis of methyl formate and H{sub 2} to form two molecule of methanol. Four plant process configurations were compared with the biomass basis is 300 ton/day. The first configuration (A) is equipped with a steam reforming process for converting methane to CO and H{sub 2} for increasing H{sub 2}/CO ratio. CO{sub 2} removal is necessary to avoid poisoning the catalyst. COSORB process used for the purpose of increasing the partial pressure of CO in the feed gas. The steam reforming process in B configuration is not used with the aim of reducing the number of process equipment, so expect lower investment costs. For C configuration, the steam reforming process and COSORB are not used with the aim of reducing the number of process equipment, so expect lower investment costs. D configuration is almost similar to the configuration A. This configuration difference is in the synthesis of methanol which was held in a single reactor. Carbonylation and hydrogenolysis reactions carried out in the same reactor one. These processes were analyzed in term of technical process, material and energy

  19. Process assessment of small scale low temperature methanol synthesis

    International Nuclear Information System (INIS)

    Hendriyana; Susanto, Herri; Subagjo

    2015-01-01

    Biomass is a renewable energy resource and has the potential to make a significant impact on domestic fuel supplies. Biomass can be converted to fuel like methanol via several step process. The process can be split into following main steps: biomass preparation, gasification, gas cooling and cleaning, gas shift and methanol synthesis. Untill now these configuration still has a problem like high production cost, catalyst deactivation, economy of scale and a huge energy requirements. These problems become the leading inhibition for biomass conversion to methanol, which should be resolved to move towards the economical. To address these issues, we developed various process and new configurations for methanol synthesis via methyl formate. This configuration combining two reactors: the one reactor for the carbonylation of methanol and CO to form methyl formate, and the second for the hydrogenolysis of methyl formate and H 2 to form two molecule of methanol. Four plant process configurations were compared with the biomass basis is 300 ton/day. The first configuration (A) is equipped with a steam reforming process for converting methane to CO and H 2 for increasing H 2 /CO ratio. CO 2 removal is necessary to avoid poisoning the catalyst. COSORB process used for the purpose of increasing the partial pressure of CO in the feed gas. The steam reforming process in B configuration is not used with the aim of reducing the number of process equipment, so expect lower investment costs. For C configuration, the steam reforming process and COSORB are not used with the aim of reducing the number of process equipment, so expect lower investment costs. D configuration is almost similar to the configuration A. This configuration difference is in the synthesis of methanol which was held in a single reactor. Carbonylation and hydrogenolysis reactions carried out in the same reactor one. These processes were analyzed in term of technical process, material and energy balance and economic

  20. Prototropic tautomerism of 4-Methyl 1,2,4-Triazole-3-Thione molecule in solvent water medium: DFT and Car–Parrinello molecular dynamics study

    International Nuclear Information System (INIS)

    Dutta, Bipan; De, Rina; Chowdhury, Joydeep

    2015-01-01

    Highlights: • The tautomerism of 4-MTTN molecule in solvent water medium has been investigated. • CPMD presage the possibility of PT reactions through the solvent water medium. • Concerted PT processes in 4-MTTN have been estimated from the DFT and NBO analyses. • Percentage evolution and breaking of the concerned bonds are estimated. - Abstract: The ground state prototropic tautomerism of 4-Methyl 1,2,4-Triazole-3-Thione molecule in solvent water medium has been investigated with the aid of DFT and Car–Parrinello molecular dynamics (CPMD) simulation studies. The CPMD simulations envisage the possibility of proton transfer reactions of the molecule through the solvent water medium. Probable proton transfer pathways have been predicted from the DFT calculations which are substantiated by the natural bond orbital analyses. The evolution and breaking of the concerned bonds of the molecule for different proton transfer reaction pathways are also estimated.

  1. Metabolism of methanol in acetogenic bacteria

    International Nuclear Information System (INIS)

    Ivey, D.K.W.

    1987-01-01

    Acetogens can grown on methanol in the presence of a cosubstrate that is more oxidized than methanol. Three mol of acetate is formed from 4 mol methanol and 2 mol CO 2 . One mol of methanol is oxidized to CO 2 . The levels of the tetrahydrofolate enzymes, carbon monoxide dehydrogenase, and corrinoids indicate the presence of the acetyl CoA pathway when growing on methanol. The acetyl-CoA pathway of acetate synthesis as presently understood does not include methanol as a substrate. It is demonstrated that methanol is oxidized to formaldehyde and then to formate by a methanol dehydrogenase. It is also possible that the methyl group of methanol is transferred directly to either a corrinoid-type enzyme, or tetrahydrofolate. When cells of C. thermoautotrophicum are grown on 14 CO 2 , acetate becomes labeled in both carbons with a ratio 14 CH 3 / 14 COOH of 0.7. In addition, methanol gets labeled. When cells are grown on 14 CH 3 OH, label appears in both acetate carbons with a ratio of 3.3, and also appears in CO 2 . Thus methanol is preferentially incorporated into the methyl group of acetate, whereas CO 2 is the preferred source of the carboxyl carbon

  2. Cognitive disorder and changes in cholinergic receptors, N-methyl-D aspartate receptors, neural cell adhesion molecule, and brain-derived neurotrophic factor following brain injury

    Institute of Scientific and Technical Information of China (English)

    Weiliang Zhao; Dezhi Kang; Yuanxiang Lin

    2008-01-01

    BACKGROUND: Learning and memory damage is one of the most permanent and the severest symptoms of traumatic brain injury; it can seriously influence the normal life and work of patients. Some research has demonstrated that cognitive disorder is closely related to nicotine cholinergic receptors, N-methyl-D aspartate receptors, neural cell adhesion molecule, and brain-derived neurotrophic factor. OBJECTIVE: To summarize the cognitive disorder and changes in nicotine cholinergic receptors, N-methyl-D aspartate receptors, neural cell adhesion molecule, and brain-derived neurotrophic factor following brain injury. RETRIEVAL STRATEGY: A computer-based online search was conducted in PUBMED for English language publications containing the key words "brain injured, cognitive handicap, acetylcholine, N-methyl-D aspartate receptors, neural cell adhesion molecule, brain-derived neurotrophic factor" from January 2000 to December 2007. There were 44 papers in total. Inclusion criteria: ① articles about changes in nicotine cholinergic receptors, N-methyl-D aspartate receptors, neural cell adhesion molecule, and brain-derived neurotrophic factor following brain injury; ② articles in the same researching circle published in authoritative journals or recently published. Exclusion criteria: duplicated articles.LITERATURE EVALUATION: References were mainly derived from research on changes in these four factors following brain injury. The 20 included papers were clinical or basic experimental studies. DATA SYNTHESIS: After craniocerebral injury, changes in these four factors in brain were similar to those during recovery from cognitive disorder, to a certain degree. Some data have indicated that activation of nicotine cholinergic receptors, N-methyl-D aspartate receptors, neural cell adhesion molecule, and brain-derived neurotrophic factor could greatly improve cognitive disorder following brain injury. However, there are still a lot of questions remaining; for example, how do these

  3. INFLUENCE OF THE ISOBUTENE METHANOL RATIO AND OF THE METHYL TERT-BUTYL ETHER CONTENT ON THE REACTION-RATE OF THE SYNTHESIS OF METHYL TERT-BUTYL ETHER

    NARCIS (Netherlands)

    PANNEMAN, HJ; BEENACKERS, AACM

    1995-01-01

    The forward reaction rate constant of the MtBE synthesis was determined for different reaction mixture compositions. The forward rate constant decreases continuously with increasing isobutene/methanol ratio, while an increase in reaction rate constant is observed with an increasing amount of MtBE in

  4. Density, dynamic viscosity, and derived properties of binary mixtures of methanol or ethanol with water, ethyl acetate, and methyl acetate at T (293.15, 298.15, and 303.15) K

    Energy Technology Data Exchange (ETDEWEB)

    Gonzalez, Begona; Calvar, Noelia; Gomez, Elena [Chemical Engineering Department, University of Vigo, 36200 Vigo (Spain); Dominguez, Angeles [Chemical Engineering Department, University of Vigo, 36200 Vigo (Spain)], E-mail: admguez@uvigo.es

    2007-12-15

    Densities and dynamic viscosities for methanol or ethanol with water, ethyl acetate, and methyl acetate at several temperatures T = (293.15, 298.15, and 303.15) K have been measured over the whole composition range and 0.1 MPa, along with the properties of the pure components. Excess molar volumes, viscosity deviations, and excess free energy of activation for the binary systems at the above-mentioned temperatures, were calculated and fitted to the Redlich-Kister equation to determine the fitting parameters and the root-mean-square deviations. UNIQUAC equation was used to correlate the experimental viscosity data. The UNIFAC-VISCO method and ASOG-VISCO method, based on contribution groups, were used to predict the dynamic viscosities of the binary mixtures.

  5. Density, dynamic viscosity, and derived properties of binary mixtures of methanol or ethanol with water, ethyl acetate, and methyl acetate at T (293.15, 298.15, and 303.15) K

    International Nuclear Information System (INIS)

    Gonzalez, Begona; Calvar, Noelia; Gomez, Elena; Dominguez, Angeles

    2007-01-01

    Densities and dynamic viscosities for methanol or ethanol with water, ethyl acetate, and methyl acetate at several temperatures T = (293.15, 298.15, and 303.15) K have been measured over the whole composition range and 0.1 MPa, along with the properties of the pure components. Excess molar volumes, viscosity deviations, and excess free energy of activation for the binary systems at the above-mentioned temperatures, were calculated and fitted to the Redlich-Kister equation to determine the fitting parameters and the root-mean-square deviations. UNIQUAC equation was used to correlate the experimental viscosity data. The UNIFAC-VISCO method and ASOG-VISCO method, based on contribution groups, were used to predict the dynamic viscosities of the binary mixtures

  6. Nitrofurantoin methanol monosolvate

    Directory of Open Access Journals (Sweden)

    Venu R. Vangala

    2011-03-01

    Full Text Available The antibiotic nitrofurantoin {systematic name: (E-1-[(5-nitro-2-furylmethylideneamino]imidazolidine-2,4-dione} crystallizes as a methanol monosolvate, C8H6N4O5·CH4O. The nitrofurantoin molecule adopts a nearly planar conformation (r.m.s. deviation = 0.0344 Å. Hydrogen bonds involve the co-operative N—H...O—H...O heterosynthons between the cyclic imide of nitrofurantoin and methanol O—H groups. There are also C—H...O hydrogen bonds involving the nitrofurantoin molecules which support the key hydrogen-bonding synthon. The overall crystal packing is further assisted by weak C—H...O interactions, giving a herringbone pattern.

  7. Direct synthesis of 2-methyl-1-propanol/methanol fuels and feedstocks: Quarterly technical progress report for the period June--August 1985

    Energy Technology Data Exchange (ETDEWEB)

    Klier, K.; Herman, R. G.; Simmons, G. W.; Nunan, J.; Himelfarb, P. B.

    1985-09-01

    During the present quarter, and intensive series of aluminum- supported catalysts, both Cs promoted and unpromoted, have been prepared by a special preparation technique and tested to determine alcohol synthesis activity, selectivities, and stability. Preparation of a single-phase hydrotalcite-like ((Cu/sub x/Zn/sub 1 -x/)/sub 6/Al/sub 2/CO/sub 3/(OH)/sub 16//center dot/4H/sub 2/O) catalyst precursor has been successfully accomplished. Some of these catalysts have been tested to determine their activities in producing methanol and higher alcohols. It has been observed that catalysts obtained by calcination and reduction of the hydrotalcite-like precursor are very active methanol synthesis catalysts. Doping these catalysts with cesium in an aqueous solution leads to initial deactivation, which is partially recovered by doping at higher cesium levels. Results give us guidelines for altering the promoter doping procedure so that a more active and selective aluminum-supported higher alcohol synthesis catalyst will be obtained. 4 refs., 13 figs., 13 tabs.

  8. Enrichment of methylated molecules using enhanced-ice-co-amplification at lower denaturation temperature-PCR (E-ice-COLD-PCR) for the sensitive detection of disease-related hypermethylation.

    Science.gov (United States)

    Mauger, Florence; Kernaleguen, Magali; Lallemand, Céline; Kristensen, Vessela N; Deleuze, Jean-François; Tost, Jörg

    2018-05-01

    The detection of specific DNA methylation patterns bears great promise as biomarker for personalized management of cancer patients. Co-amplification at lower denaturation temperature-PCR (COLD-PCR) assays are sensitive methods, but have previously only been able to analyze loss of DNA methylation. Enhanced (E)-ice-COLD-PCR reactions starting from 2 ng of bisulfite-converted DNA were developed to analyze methylation patterns in two promoters with locked nucleic acid (LNA) probes blocking amplification of unmethylated CpGs. The enrichment of methylated molecules was compared to quantitative (q)PCR and quantified using serial dilutions. E-ice-COLD-PCR allowed the multiplexed enrichment and quantification of methylated DNA. Assays were validated in primary breast cancer specimens and circulating cell-free DNA from cancer patients. E-ice-COLD-PCR could prove a useful tool in the context of DNA methylation analysis for personalized medicine.

  9. CCDC 897155: Experimental Crystal Structure Determination : (2-(bis(2-methoxyphenyl)phosphino)benzenesulfonato)-(2-((2-methoxyphenyl)(methyl)phosphino)benzenesulfonato)-palladium(ii) methanol solvate

    KAUST Repository

    Rünzi, Thomas

    2013-01-01

    An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

  10. Detailed intermolecular structure of molecular liquids containing slightly distorted tetrahedral molecules with C(3v) symmetry: chloroform, bromoform, and methyl-iodide.

    Science.gov (United States)

    Pothoczki, Szilvia; Temleitner, László; Pusztai, László

    2011-01-28

    Analyses of the intermolecular structure of molecular liquids containing slightly distorted tetrahedral molecules of the CXY(3)-type are described. The process is composed of the determination of several different distance-dependent orientational correlation functions, including ones that are introduced here. As a result, a complete structure classification could be provided for CXY(3) molecular liquids, namely for liquid chloroform, bromoform, and methyl-iodide. In the present work, the calculations have been conducted on particle configurations resulting from reverse Monte Carlo computer modeling: these particle arrangements have the advantage that they are fully consistent with structure factors from neutron and x-ray diffraction measurements. It has been established that as the separation between neighboring molecules increases, the dominant mutual orientations change from face-to-face to edge-to-edge, via the edge-to-face arrangements. Depending on the actual liquid, these geometrical elements (edges and faces of the distorted tetrahedra) were found to contain different atoms. From the set of liquids studied here, the structure of methyl-iodide was found to be easiest to describe on the basis of pure steric effects (molecular shape, size, and density) and the structure of liquid chloroform seems to be the furthest away from the corresponding "flexible fused hard spheres" like reference system.

  11. Copper(II) and zinc(II) as metal-carboxylate coordination complexes based on (1-methyl-1H-benzo[d]imidazol-2-yl) methanol derivative: Synthesis, crystal structure, spectroscopy, DFT calculations and antioxidant activity

    Science.gov (United States)

    Benhassine, Anfel; Boulebd, Houssem; Anak, Barkahem; Bouraiou, Abdelmalek; Bouacida, Sofiane; Bencharif, Mustapha; Belfaitah, Ali

    2018-05-01

    This work presents a combined experimental and theoretical study of two new metal-carboxylate coordination compounds. These complexes were prepared from (1-methyl-1H-benzimidazol-2-yl)methanol under mild conditions. The structures of the prepared compounds were characterized by single-crystal X-ray analysis, FTIR and UV-Vis spectroscopy. In the Cupper complex, the Cu(II) ion is coordinated by two ligands, which act as bidentate chelator through the non-substituted N and O atoms, and two carboxylicg oxygen atoms, displaying a hexa-coordinated compound in a distorted octahedral geometry, while in the Zinc complex the ligand is ligated to the Zn(II) ion in monodentate fashion through the N atom, and the metal ion is also bonded to carboxylic oxygen atoms. The tetra-coordinated compound displays a distorted tetrahedral shape. The density functional theory calculations are carried out for the determination of the optimized structures. The electronic transitions and fundamental vibrational wave numbers are calculated and are in good agreement with experimental. In addition, the ligand and its Cu(II) and Zn(II) complexes were screened and evaluated for their potential as DPPH radical scavenger.

  12. Triboluminescence and associated decomposition of solid methanol

    International Nuclear Information System (INIS)

    Trout, G.J.; Moore, D.E.; Hawke, J.G.

    1975-01-01

    The decomposition is initiated by the cooling of solid methanol through the β → α transiRon at 157.8K, producing the gases hydrogen, carbon monoxide, and methane. The passage through this lambda transition causes the breakup of large crystals of β-methanol into crystallites of α-methanol and is accompanied by light emission as well as decomposition. This triboluminescence is accompanied by, and apparently produced by, electrical discharges through methanol vapor in the vicinity of the solid. The potential differences needed to produce the electrical breakdown of the methanol vapor apparently arise from the disruption of the long hydrogen bonded chains of methanol molecules present in crystalline methanol. Charge separation following crystal deformation is a characteristic of substances which exhibit gas discharge triboluminescence; solid methanol has been found to emit such luminescence when mechanically deformed in the absence of the β → α transition The decomposition products are not produced directly by the breaking up of the solid methanol but from the vapor phase methanol by the electrical discharges. That gas phase decomposition does occur was confirmed by observing that the vapors of C 2 H 5 OH, CH 3 OD, and CD 3 OD decompose on being admitted to a vessel containing methanol undergoing the β → α phase transition. (U.S.)

  13. Predicting Complex Organic Molecule Emission from TW Hya

    Science.gov (United States)

    Vissapragada, Shreyas; Walsh, Catherine

    2017-01-01

    The Atacama Large Millimeter/submillimeter Array (ALMA) has significantly increased our ability to observe the rich chemical inventory of star and planet formation. ALMA has recently been used to detect CH3OH (methanol) and CH3CN (methyl cyanide) in protoplanetary disks; these molecules may be vital indicators of the complex organic ice reservoir in the comet-forming zone. We have constructed a physiochemical model of TW Hya, a well-studied protoplanetary disk, to explore the different formation mechanisms of complex ices. By running our model through a radiative transfer code and convolving with beam sizes appropriate for ALMA, we have obtained synthetic observations of methanol and methyl cyanide. Here, we compare and comment on these synthetic observations, and provide astrochemical justification for their spatial distributions.

  14. The Gas-Phase Formation of Methyl Formate in Hot Molecular Cores

    Science.gov (United States)

    Horn, Anne; Møllendal, Harald; Sekiguchi, Osamu; Uggerud, Einar; Roberts, Helen; Herbst, Eric; Viggiano, A. A.; Fridgen, Travis D.

    2004-08-01

    Methyl formate, HCOOCH3, is a well-known interstellar molecule prominent in the spectra of hot molecular cores. The current view of its formation is that it occurs in the gas phase from precursor methanol, which is synthesized on the surfaces of grain mantles during a previous colder era and evaporates while temperatures increase during the process of high-mass star formation. The specific reaction sequence thought to form methyl formate, the ion-molecule reaction between protonated methanol and formaldehyde followed by dissociative recombination of the protonated ion [HCO(H)OCH3]+, has not been studied in detail in the laboratory. We present here the results of both a quantum chemical study of the ion-molecule reaction between [CH3OH2]+ and H2CO as well as new experimental work on the system. In addition, we report theoretical and experimental studies for a variety of other possible gas-phase reactions leading to ion precursors of methyl formate. The studied chemical processes leading to methyl formate are included in a chemical model of hot cores. Our results show that none of these gas-phase processes produces enough methyl formate to explain its observed abundance.

  15. 1995 world methanol conference

    International Nuclear Information System (INIS)

    Anon.

    1995-01-01

    The 20 papers contained in this volume deal with the global markets for methanol, the production of MTBE, integrating methanol production into a coal-to-SNG complex, production of methanol from natural gas, catalysts for methanol production from various synthesis gases, combined cycle power plants using methanol as fuel, and economics of the methanol industry. All papers have been processed for inclusion on the data base

  16. A calorimetric and equilibrium investigation of the reaction {l_brace}methyl ferulate(aq) + H{sub 2}O(l) = methanol(aq) + ferulic acid(aq){r_brace}

    Energy Technology Data Exchange (ETDEWEB)

    Goldberg, Robert N., E-mail: robert.goldberg@nist.go [Biochemical Science Division, National Institute of Standards and Technology, Gaithersburg, MD 20876 (United States); Department of Chemistry and Biochemistry, University of Maryland, Baltimore County, Baltimore, MD 21250 (United States); Lang, Brian E., E-mail: brian.lang@nist.go [Biochemical Science Division, National Institute of Standards and Technology, Gaithersburg, MD 20876 (United States); Selig, Michael J., E-mail: michael.selig@nrel.go [National Renewable Energy Laboratory, Biosciences Center, 1617 Cole Boulevard, Golden, CO 80401 (United States); Decker, Stephen R., E-mail: steve.decker@nrel.go [National Renewable Energy Laboratory, Biosciences Center, 1617 Cole Boulevard, Golden, CO 80401 (United States)

    2011-03-15

    Microcalorimetry and high-performance liquid chromatography (HPLC) have been used to conduct a thermodynamic investigation of the reaction: {l_brace}methyl ferulate(aq) + H{sub 2}O(l) = methanol(aq) + ferulic acid(aq){r_brace}, as catalyzed by feruloyl esterase. Values of the apparent equilibrium constant K' = (29.6 {+-} 0.7) (T = 298.15 K, citrate buffer at pH 4.98, ionic strength I = 0.39 mol {center_dot} kg{sup -1}) and of the calorimetrically determined enthalpy of reaction {Delta}{sub r}H(cal) = (4.0 {+-} 0.9) kJ {center_dot} mol{sup -1} (T = 298.15 K and citrate buffer at pH 4.81, I = 0.36 mol {center_dot} kg{sup -1}) were measured. A chemical equilibrium model, together with pKs and standard enthalpies of reaction {Delta}{sub r}H{sup 0} for the H{sup +}(aq) binding reactions of the reactants and products, was then used to calculate the values K = (1.89 {+-} 0.06) . 10{sup -4}, {Delta}{sub r}H{sup o} = (7.3 {+-} 1.7) kJ {center_dot} mol{sup -1}, {Delta}{sub r}G{sup o} = (21.25 {+-} 0.07) kJ {center_dot} mol{sup -1}, and {Delta}{sub r}S{sup o} = - (46.8 {+-} 5.7) J {center_dot} K{sup -1} {center_dot} mol{sup -1} for the chemical reference reaction {l_brace}methyl ferulate(aq) + H{sub 2}O(l) = methanol(aq) + ferulic acid{sup -}(aq) + H{sup +}(aq){r_brace}. These values of K and {Delta}{sub r}H{sup o} are similar in magnitude to the corresponding values reported for the reaction {l_brace}propyl gallate(aq) + H{sub 2}O(l) = 3,4,5-trihydroxybenzoic acid{sup -}(aq) + 1-propanol(aq) + H{sup +}(aq){r_brace}. The results obtained in this study can be used in a chemical equilibrium model to calculate how K' and other standard transformed properties such as the standard transformed enthalpy {Delta}{sub r}H'{sup o}, standard transformed Gibbs free energy {Delta}{sub r}G'{sup o}, and the change in binding of H{sup +}(aq), {Delta}{sub r}N(H{sup +}), vary with the independent variables T, pH, and I.

  17. Electron transport in ethanol & methanol absorbed defected graphene

    Science.gov (United States)

    Dandeliya, Sushmita; Srivastava, Anurag

    2018-05-01

    In the present paper, the sensitivity of ethanol and methanol molecules on surface of single vacancy defected graphene has been investigated using density functional theory (DFT). The changes in structural and electronic properties before and after adsorption of ethanol and methanol were analyzed and the obtained results show high adsorption energy and charge transfer. High adsorption happens at the active site with monovacancy defect on graphene surface. Present work confirms that the defected graphene increases the surface reactivity towards ethanol and methanol molecules. The presence of molecules near the active site affects the electronic and transport properties of defected graphene which makes it a promising choice for designing methanol and ethanol sensor.

  18. Endogenous Methanol Regulates Mammalian Gene Activity

    Science.gov (United States)

    Komarova, Tatiana V.; Petrunia, Igor V.; Shindyapina, Anastasia V.; Silachev, Denis N.; Sheshukova, Ekaterina V.; Kiryanov, Gleb I.; Dorokhov, Yuri L.

    2014-01-01

    We recently showed that methanol emitted by wounded plants might function as a signaling molecule for plant-to-plant and plant-to-animal communications. In mammals, methanol is considered a poison because the enzyme alcohol dehydrogenase (ADH) converts methanol into toxic formaldehyde. However, the detection of methanol in the blood and exhaled air of healthy volunteers suggests that methanol may be a chemical with specific functions rather than a metabolic waste product. Using a genome-wide analysis of the mouse brain, we demonstrated that an increase in blood methanol concentration led to a change in the accumulation of mRNAs from genes primarily involved in detoxification processes and regulation of the alcohol/aldehyde dehydrogenases gene cluster. To test the role of ADH in the maintenance of low methanol concentration in the plasma, we used the specific ADH inhibitor 4-methylpyrazole (4-MP) and showed that intraperitoneal administration of 4-MP resulted in a significant increase in the plasma methanol, ethanol and formaldehyde concentrations. Removal of the intestine significantly decreased the rate of methanol addition to the plasma and suggested that the gut flora may be involved in the endogenous production of methanol. ADH in the liver was identified as the main enzyme for metabolizing methanol because an increase in the methanol and ethanol contents in the liver homogenate was observed after 4-MP administration into the portal vein. Liver mRNA quantification showed changes in the accumulation of mRNAs from genes involved in cell signalling and detoxification processes. We hypothesized that endogenous methanol acts as a regulator of homeostasis by controlling the mRNA synthesis. PMID:24587296

  19. Endogenous methanol regulates mammalian gene activity.

    Directory of Open Access Journals (Sweden)

    Tatiana V Komarova

    Full Text Available We recently showed that methanol emitted by wounded plants might function as a signaling molecule for plant-to-plant and plant-to-animal communications. In mammals, methanol is considered a poison because the enzyme alcohol dehydrogenase (ADH converts methanol into toxic formaldehyde. However, the detection of methanol in the blood and exhaled air of healthy volunteers suggests that methanol may be a chemical with specific functions rather than a metabolic waste product. Using a genome-wide analysis of the mouse brain, we demonstrated that an increase in blood methanol concentration led to a change in the accumulation of mRNAs from genes primarily involved in detoxification processes and regulation of the alcohol/aldehyde dehydrogenases gene cluster. To test the role of ADH in the maintenance of low methanol concentration in the plasma, we used the specific ADH inhibitor 4-methylpyrazole (4-MP and showed that intraperitoneal administration of 4-MP resulted in a significant increase in the plasma methanol, ethanol and formaldehyde concentrations. Removal of the intestine significantly decreased the rate of methanol addition to the plasma and suggested that the gut flora may be involved in the endogenous production of methanol. ADH in the liver was identified as the main enzyme for metabolizing methanol because an increase in the methanol and ethanol contents in the liver homogenate was observed after 4-MP administration into the portal vein. Liver mRNA quantification showed changes in the accumulation of mRNAs from genes involved in cell signalling and detoxification processes. We hypothesized that endogenous methanol acts as a regulator of homeostasis by controlling the mRNA synthesis.

  20. Spin-torsion effects in the hyperfine structure of methanol

    International Nuclear Information System (INIS)

    Coudert, L. H.; Gutlé, C.; Huet, T. R.; Grabow, J.-U.; Levshakov, S. A.

    2015-01-01

    The magnetic hyperfine structure of the non-rigid methanol molecule is investigated experimentally and theoretically. 12 hyperfine patterns are recorded using molecular beam microwave spectrometers. These patterns, along with previously recorded ones, are analyzed in an attempt to evidence the effects of the magnetic spin-torsion coupling due to the large amplitude internal rotation of the methyl group [J. E. M. Heuvel and A. Dymanus, J. Mol. Spectrosc. 47, 363 (1973)]. The theoretical approach setup to analyze the observed data accounts for this spin-torsion in addition to the familiar magnetic spin-rotation and spin-spin interactions. The theoretical approach relies on symmetry considerations to build a hyperfine coupling Hamiltonian and spin-rotation-torsion wavefunctions compatible with the Pauli exclusion principle. Although all experimental hyperfine patterns are not fully resolved, the line position analysis yields values for several parameters including one describing the spin-torsion coupling

  1. Conversion of methanol and isobutanol to MTBE

    CSIR Research Space (South Africa)

    Nicolaides, CP

    1993-09-24

    Full Text Available Over the resin catalyst Amberlyst 15, and under our reaction conditions, the yield of MTBE (methyl tert-butyl ether), from the reaction of methanol and isobutene, is at a maximum in the temperature rang of 40-60-degrees-C. Slightly higher...

  2. Methylation of food commodities during fumigation with methyl bromide

    International Nuclear Information System (INIS)

    Starratt, A.N.; Bond, E.J.

    1990-01-01

    Sites of methylation in several commodities (wheat, oatmeal, peanuts, almonds, apples, oranges, maize, alfalfa and potatoes) during fumigation with 14 C-methyl bromide were studied. Differences were observed in levels of the major volatiles: methanol, dimethyl sulphide and methyl mercaptan, products of O- and S-methylation, resulting from treatment of the fumigated materials with 1N sodium hydroxide. In studies of maize and wheat, histidine was the amino acid which underwent the highest level of N-methylation. (author). 24 refs, 3 tabs

  3. Hydration of ammonia, methylamine, and methanol in amorphous solid water

    Science.gov (United States)

    Souda, Ryutaro

    2016-02-01

    Interactions of polar protic molecules with amorphous solid water (ASW) have been investigated using temperature-programmed desorption and time-of-flight secondary ion mass spectrometry. The ammonia and methylamine are incorporated into the interior of porous ASW films. They are caged by water molecules and are released during water crystallization. In contrast, the methanol-water interaction is not influenced by pores of ASW. The methanol additives tend to survive water crystallization and are released during ASW film evaporation. The hydration of n-hexane in ASW is influenced significantly by methanol additives because n-hexane is accommodated in a methanol-induced hydration shell.

  4. Process for obtaining methanol. Verfahren zur Gewinnung von Methanol

    Energy Technology Data Exchange (ETDEWEB)

    Link, H; Watson, A

    1983-12-08

    Synthetic gas is generated and converted to methanol in a reactor. After the separation of the crude methanol, there is a multi-stage methanol distillation. Condensate occurring during distillation is at least partly fed back before the methanol synthesis.

  5. Solid state {sup 1}H spin-lattice relaxation and isolated-molecule and cluster electronic structure calculations in organic molecular solids: The relationship between structure and methyl group and t-butyl group rotation

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Xianlong, E-mail: WangXianlong@uestc.edu.cn, E-mail: pbeckman@brynmawr.edu [Key Laboratory for NeuroInformation of Ministry of Education, School of Life Science and Technology, University of Electronic Science and Technology of China, 4 North Jianshe Rd., 2nd Section, Chengdu 610054 (China); Mallory, Frank B. [Department of Chemistry, Bryn Mawr College, 101 North Merion Ave., Bryn Mawr, Pennsylvania 19010-2899 (United States); Mallory, Clelia W. [Department of Chemistry, Bryn Mawr College, 101 North Merion Ave., Bryn Mawr, Pennsylvania 19010-2899 (United States); Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104-6323 (United States); Odhner, Hosanna R.; Beckmann, Peter A., E-mail: WangXianlong@uestc.edu.cn, E-mail: pbeckman@brynmawr.edu [Department of Physics, Bryn Mawr College, 101 North Merion Ave., Bryn Mawr, Pennsylvania 19010-2899 (United States)

    2014-05-21

    We report ab initio density functional theory electronic structure calculations of rotational barriers for t-butyl groups and their constituent methyl groups both in the isolated molecules and in central molecules in clusters built from the X-ray structure in four t-butyl aromatic compounds. The X-ray structures have been reported previously. We also report and interpret the temperature dependence of the solid state {sup 1}H nuclear magnetic resonance spin-lattice relaxation rate at 8.50, 22.5, and 53.0 MHz in one of the four compounds. Such experiments for the other three have been reported previously. We compare the computed barriers for methyl group and t-butyl group rotation in a central target molecule in the cluster with the activation energies determined from fitting the {sup 1}H NMR spin-lattice relaxation data. We formulate a dynamical model for the superposition of t-butyl group rotation and the rotation of the t-butyl group's constituent methyl groups. The four compounds are 2,7-di-t-butylpyrene, 1,4-di-t-butylbenzene, 2,6-di-t-butylnaphthalene, and 3-t-butylchrysene. We comment on the unusual ground state orientation of the t-butyl groups in the crystal of the pyrene and we comment on the unusually high rotational barrier of these t-butyl groups.

  6. Methanol Fuel Cell

    Science.gov (United States)

    Voecks, G. E.

    1985-01-01

    In proposed fuel-cell system, methanol converted to hydrogen in two places. External fuel processor converts only part of methanol. Remaining methanol converted in fuel cell itself, in reaction at anode. As result, size of fuel processor reduced, system efficiency increased, and cost lowered.

  7. Characterization of a distonic isomer C6H5C+(OH)OCH2 of methyl benzoate radical cation by associative ion-molecule reactions

    Science.gov (United States)

    Dechamps, Noémie; Flammang, Robert; Gerbaux, Pascal; Nam, Pham-Cam; Nguyen, Minh Tho

    2006-03-01

    The C6H5C+(OH)OCH2 radical cation, formally a distonic isomer of ionized methyl benzoate, has been prepared by dissociative ionization of neopentyl benzoate, as earlier suggested by Audier et al. [H.E. Audier, A. Milliet, G. Sozzi, S. Hammerum, Org. Mass. Spectrom. 25 (1990) 44]. Its distonic character has now been firmly established by its high reactivity towards neutral methyl isocyanide (ionized methylene transfer) producing N-methyl ketenimine ions. Other mass spectrometric experiments and ab initio quantum chemical calculations also concur with each other pointing toward the existence of a stable distonic radical cation.

  8. Analysis of methanol and its derivatives in illegally produced alcoholic beverages.

    Science.gov (United States)

    Arslan, M Mustafa; Zeren, Cem; Aydin, Zeki; Akcan, Ramazan; Dokuyucu, Recep; Keten, Alper; Cekin, Necmi

    2015-07-01

    Illegal alcohol production remains as a common issue worldwide. Methanol poisoning mostly occurs because of the methanol used in production of counterfeit alcohol instead of ethyl alcohol due to its low price or by drinking the liquids containing methyl alcohol. Pectolytic enzymes results in an increase of methanol levels in many fermentation products such as ciders or wines. Methanol poisonings are infrequently encountered in forensic medicine practice. However, sporadic cases due to methanol intoxication as well as epidemic cases have been reported. In this study, we aimed to identify existence of methanol and its metabolites in illegally produced alcoholic beverages used in Antakya region. Twelve legally produced alcohol samples and Fifty-six different illegally produced alcohol samples were collected from the markets and local producers. Existence of methanol, formic acid, methyl amine, methyl formate and trioxan were determined using GC-MS method in these samples. Fifty-six different illegal alcohol samples were analyzed in this study and methanol was detected in 39 (75%) of samples. Formic acid was detected in 3, formamide in 1, methyl amine in 6, methyl formate in 10 and trioxan in 2 samples. Overwhelming majority of illegal alcoholic beverages was detected to contain methanol. Interestingly this study also revealed the presence of trioxane, which has not previously reported among toxic agents in illegal alcohol samples. Copyright © 2015 Elsevier Ltd and Faculty of Forensic and Legal Medicine. All rights reserved.

  9. The Methanol Economy Project

    Energy Technology Data Exchange (ETDEWEB)

    Olah, George [Univ. of Southern California, Los Angeles, CA (United States); Prakash, G. K. [Univ. of Southern California, Los Angeles, CA (United States)

    2014-02-01

    The Methanol Economy Project is based on the concept of replacing fossil fuels with methanol generated either from renewable resources or abundant natural (shale) gas. The full methanol cycle was investigated in this project, from production of methanol through bromination of methane, bireforming of methane to syngas, CO2 capture using supported amines, co-electrolysis of CO2 and water to formate and syngas, decomposition of formate to CO2 and H2, and use of formic acid in a direct formic acid fuel cell. Each of these projects achieved milestones and provided new insights into their respective fields.

  10. Methyl Iodide Decomposition at BWR Conditions

    International Nuclear Information System (INIS)

    Pop, Mike; Bell, Merl

    2012-09-01

    Based on favourable results from short-term testing of methanol addition to an operating BWR plant, AREVA has performed numerous studies in support of necessary Engineering and Plant Safety Evaluations prior to extended injection of methanol. The current paper presents data from a study intended to provide further understanding of the decomposition of methyl iodide as it affects the assessment of methyl iodide formation with the application of methanol at BWR Plants. This paper describes the results of the decomposition testing under UV-C light at laboratory conditions and its effect on the subject methyl iodide production evaluation. The study as to the formation and decomposition of methyl iodide as it is effected by methanol addition is one phase of a larger AREVA effort to provide a generic plant Safety Evaluation prior to long-term methanol injection to an operating BWR. Other testing phases have investigated the compatibility of methanol with fuel construction materials, plant structural materials, plant consumable materials (i.e. elastomers and coatings), and ion exchange resins. Methyl iodide is known to be very unstable, typically preserved with copper metal or other stabilizing materials when produced and stored. It is even more unstable when exposed to light, heat, radiation, and water. Additionally, it is known that methyl iodide will decompose radiolytically, and that this effect may be simulated using ultra-violet radiation (UV-C) [2]. In the tests described in this paper, the use of a UV-C light source provides activation energy for the formation of methyl iodide. Thus is similar to the effect expected from Cherenkov radiation present in a reactor core after shutdown. Based on the testing described in this paper, it is concluded that injection of methanol at concentrations below 2.5 ppm in BWR applications to mitigate IGSCC of internals is inconsequential to the accident conditions postulated in the FSAR as they are related to methyl iodide formation

  11. Biodiesel from sunflower oil in supercritical methanol with calcium oxide

    International Nuclear Information System (INIS)

    Demirbas, Ayhan

    2007-01-01

    In this study, sunflower seed oil was subjected to the transesterification reaction with calcium oxide (CaO) in supercritical methanol for obtaining biodiesel. Methanol is used most frequently as the alcohol in the transesterification process. Calcium oxide (CaO) can considerably improve the transesterification reaction of sunflower seed oil in supercritical methanol. The variables affecting the methyl ester yield during the transesterification reaction, such as the catalyst content, reaction temperature and the molar ratio of soybean oil to alcohol, were investigated and compared with those of non-catalyst runs. The catalytic transesterification ability of CaO is quite weak under ambient temperature. At a temperature of 335 K, the yield of methyl ester is only about 5% in 3 h. When CaO was added from 1.0% to 3.0%, the transesterification speed increased evidently, while when the catalyst content was further enhanced to 5%, the yield of methyl ester slowly reached to a plateau. It was observed that increasing the reaction temperature had a favorable influence on the methyl ester yield. In addition, for molar ratios ranging from 1 to 41, as the higher molar ratios of methanol to oil were charged, the greater transesterification speed was obtained. When the temperature was increased to 525 K, the transesterification reaction was essentially completed within 6 min with 3 wt% CaO and 41:1 methanol/oil molar ratio

  12. Catalytic methanol dissociation

    International Nuclear Information System (INIS)

    Alcinikov, Y.; Fainberg, V.; Garbar, A.; Gutman, M.; Hetsroni, G.; Shindler, Y.; Tatrtakovsky, L.; Zvirin, Y.

    1998-01-01

    Results of the methanol dissociation study on copper/potassium catalyst with alumina support at various temperatures are presented. The following gaseous and liquid products at. The catalytic methanol dissociation is obtained: hydrogen, carbon monoxide, carbon dioxide, methane, and dimethyl ether. Formation rates of these products are discussed. Activation energies of corresponding reactions are calculated

  13. Our Galactic Neighbor Hosts Complex Organic Molecules

    Science.gov (United States)

    Hensley, Kerry

    2018-03-01

    small amounts of methanol, the parentmolecule of the two newly-discovered compounds. By revealing the spectral signatures of dimethyl ether and methyl formate, Sewio and collaboratorsfurther prove thatorganic chemistry is hard at work in hot cores in the LMC.This discovery is momentous because dwarf galaxies like theLMC tend to have a lower abundance of the heavy elements that make up complex organic molecules most importantly, oxygen, carbon, and nitrogen. Beyond lacking the raw materials necessary to create complex molecules, the gas of low-metallicity galaxies does a poorer job preventing the penetration of high-energy photons. The impinging photons warm dust grains, resulting in a lower probability of forming and maintaining complex organic molecules. Despite this, organic molecules appear to beable todevelop and persist which has exciting implications for organic chemistry in low-metallicity environments.ALMA observation of emission by methyl formate in a hot core in the LMC.[Adapted from Sewio et al. 2018]A Lens into the PastIn the early universe, before the budding galaxies have had time to upcycle their abundant hydrogen into heavier elements, organic chemistry is thought to proceed slowly or not at all. The discovery of complex organic molecules in a nearby low-metallicity galaxy upends this theory and propels us toward a better understanding of the organic chemistry in the early universe.CitationMarta Sewio et al 2018ApJL853L19. doi:10.3847/2041-8213/aaa079

  14. Methanol fuel update

    International Nuclear Information System (INIS)

    Colledge, R.; Spacek, J.

    1992-01-01

    An overview is presented of methanol fuel developments, with particular reference to infrastructure, supply and marketing. Methanol offers reduced emissions, easy handling, is cost effective, can be produced from natural gas, coal, wood, or municipal waste, is a high performance fuel, is safer than gasoline, and contributes to energy security. Methanol supply, environmental benefits, safety/health issues, economics, passenger car economics, status of passenger car technology, buses, methanol and the prosperity initiative, challenges to implementation, and the role of government and original equipment manufacturers are discussed. Governments must assist in the provision of methanol refuelling infrastructure, and in providing an encouraging regulatory atmosphere. Discriminatory and inequitable taxing methods must be addressed, and an air quality agenda must be defined to allow the alternative fuel industry to respond in a timely manner

  15. Pronounced cluster-size effects: gas-phase reactivity of bare vanadium cluster cations V(n)+ (n = 1-7) toward methanol.

    Science.gov (United States)

    Feyel, Sandra; Schröder, Detlef; Schwarz, Helmut

    2009-05-14

    Mass spectrometric experiments are used to examine the size-dependent interactions of bare vanadium cluster cations V(n)(+) (n = 1-7) with methanol. The reactivity patterns exhibit enormous size effects throughout the range of clusters investigated. For example, dehydrogenation of methanol to produce V(n)OC(+) is only brought about by clusters with n > or = 3. Atomic vanadium cation V(+) also is reactive, but instead of dehydrogenation of the alcohol, expulsions of either methane or a methyl radical take place. In marked contrast, the reaction efficiency of the dinuclear cluster V(2)(+) is extremely low. For the cluster cations V(n)(+) (n = 3-7), complete and efficient dehydrogenation of methanol to produce V(n)OC(+) and two hydrogen molecules prevails. DFT calculations shed light on the mechanism of the dehydrogenation of methanol by the smallest reactive cluster cation V(3)(+) and propose the occurrence of chemisorption concomitant with C-O bond cleavage rather than adsorption of an intact carbon monoxide molecule by the cluster.

  16. Production of methanol/DME from biomass

    Energy Technology Data Exchange (ETDEWEB)

    Ahrenfeldt, J.; Birk Henriksen, U.; Muenster-Swendsen, J.; Fink, A.; Roengaard Clausen, L.; Munkholt Christensen, J.; Qin, K.; Lin, W.; Arendt Jensen, P.; Degn Jensen, A.

    2011-07-01

    methyl ester), ethanol from fermentation or gasification based synthesis of DME, methanol, Fisher Tropsch fuels etc. A comparison of these different methods to provide biomass based transport fuels has shown that the gasification based route is an attractive and efficient technology. (Author)

  17. Crystal structure of trans-N,N′-bis(3,5-di-tert-butyl-2-hydroxyphenyloxamide methanol monosolvate

    Directory of Open Access Journals (Sweden)

    Miguel-Ángel Velázquez-Carmona

    2016-07-01

    Full Text Available The here crystallized oxamide was previously characterized as an unsolvated species [Jímenez-Pérez et al. (2000. J. Organomet. Chem. 614–615, 283–293], and is now reported with methanol as a solvent of crystallization, C30H44N2O4·CH3OH, in a different space group. The introduction of the solvent influences neither the molecular symmetry of the oxamide, which remains centrosymmetric, nor the molecular conformation. However, the unsolvated molecule crystallized as an ordered system, while many parts of the solvated crystal are disordered. The hydroxy group in the oxamide is disordered over two chemically equivalent positions, with occupancies 0.696 (4:0.304 (4; one tert-butyl group is disordered by rotation about the C—C bond, and was modelled with three sites for each methyl group, each one with occupancy 1/3. Finally, the methanol solvent, which lies on a twofold axis, is disordered by symmetry. The disorder affecting hydroxy groups and the solvent of crystallization allows the formation of numerous supramolecular motifs using four hydrogen bonds, with N—H and O—H groups as donors and the oxamide and methanol molecule as acceptors.

  18. Abacavir methanol 2.5-solvate

    Directory of Open Access Journals (Sweden)

    Phuong-Truc T. Pham

    2009-08-01

    Full Text Available The structure of abacavir (systematic name: {(1S,4R-4-[2-amino-6-(cyclopropylamino-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol, C14H18N6O·2.5CH3OH, consists of hydrogen-bonded ribbons which are further held together by additional hydrogen bonds involving the hydroxyl group and two N atoms on an adjacent purine. The asymmetric unit also contains 2.5 molecules of methanol solvate which were grossly disordered and were excluded using SQUEEZE subroutine in PLATON [Spek, (2009. Acta Cryst. D65, 148–155].

  19. Early stages of methanol radiolysis from data of photoelectron spectroscopy and mass spectrometry

    International Nuclear Information System (INIS)

    Kalyazin, E.P.; Kovalev, G.V.

    1982-01-01

    Comparison of data on photoelectron spectroscopy and mass spectrometry permits to conclude that 4 types of molecular ions CH 3 O + H, H + CH 2 OH, H 3 C + OH and CH 3 O + H are initial products of methanol radiolysis. They start four parallel lines of methanol transformations. Mass spectrum of methanol can be evaluated according to the structural formula of methanol molecule. Composition of radiolysis products of gaseous methanol correlate satisfactorily with its mass spectrum. Reasons for the difference in compositions of radiolysis products of liquid and gaseous methanol are discussed

  20. Dietary methanol and autism.

    Science.gov (United States)

    Walton, Ralph G; Monte, Woodrow C

    2015-10-01

    The authors sought to establish whether maternal dietary methanol during pregnancy was a factor in the etiology of autism spectrum disorders. A seven item questionnaire was given to women who had given birth to at least one child after 1984. The subjects were solicited from a large primary care practice and several internet sites and separated into two groups - mothers who had given birth to a child with autism and those who had not. Average weekly methanol consumption was calculated based on questionnaire responses. 550 questionnaires were completed by women who gave birth to a non-autistic child. On average these women consumed 66.71mg. of methanol weekly. 161 questionnaires were completed by women who had given birth to an autistic child. The average estimated weekly methanol consumption for this group was 142.31mg. Based on the results of the Wilcoxon rank sum-test, we see a significant difference between the reported methanol consumption rates of the two groups. This study suggests that women who have given birth to an autistic child are likely to have had higher intake of dietary sources of methanol than women who have not. Further investigation of a possible link of dietary methanol to autism is clearly warranted. Copyright © 2015 The Authors. Published by Elsevier Ltd.. All rights reserved.

  1. Dynamic signature of molecular association in methanol

    International Nuclear Information System (INIS)

    Bertrand, C. E.; Copley, J. R. D.; Faraone, A.; Self, J. L.

    2016-01-01

    Quasielastic neutron scattering measurements and molecular dynamics simulations were combined to investigate the collective dynamics of deuterated methanol, CD 3 OD. In the experimentally determined dynamic structure factor, a slow, non-Fickian mode was observed in addition to the standard density-fluctuation heat mode. The simulation results indicate that the slow dynamical process originates from the hydrogen bonding of methanol molecules. The qualitative behavior of this mode is similar to the previously observed α-relaxation in supercooled water [M. C. Bellissent-Funel et al., Phys. Rev. Lett. 85, 3644 (2000)] which also originates from the formation and dissolution of hydrogen-bonded associates (supramolecular clusters). In methanol, however, this mode is distinguishable well above the freezing transition. This finding indicates that an emergent slow mode is not unique to supercooled water, but may instead be a general feature of hydrogen-bonding liquids and associating molecular liquids.

  2. Proceedings of the international symposium on alcohol fuel technology: methanol and ethanol

    Energy Technology Data Exchange (ETDEWEB)

    None

    1978-07-01

    The papers presented dealt with the following topics: international situation and economic and political aspects, use of alcohol fuels as automotive fuels, production of methanol and methyl fuels, production of ethanol, methanol application and modeling, alcohol fuel optimization, and environmental considerations. Each paper was prepared for introduction into the EDB data base. (JSR)

  3. A novel process for methanol synthesis. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Tierney, J.W.; Wender, I.

    1994-01-25

    The use of methanol (MeOH) as a fuel additive and in MTBE production has renewed interest in the search for improved MeOH processes. Commercial processes are characterized by high pressures and temperatures with low per pass conversion (10--12%). Efforts are underway to find improved MeOH synthesis processes. A slurry phase ``concurrent`` synthesis of MeOH/methyl formate (MeF) which operates under relatively mild conditions (100{degrees}C lower than present commercial processes) was the subject of investigation in this work. Evidence for a reaction scheme involving the carbonylation of MeOH to MeF followed by the hydrogenolysis of MeF to two molecules of MeOH -- the net result being the reaction of H{sub 2} with CO to give MeOH via MeF, is presented. Up to 90% per pass conversion and 98% selectivity to methanol at rates comparable to commercial processes have been obtained in spite of the presence of as much as 10,000 ppM CO{sub 2} and 3000 ppM H{sub 2}O in the gas and liquid respectively. The effect of process parameters such as temperature, pressure, H{sub 2}/CO ratio in the reactor, flow rate and catalyst loading were also investigated. The use of temperatures above 170{degrees}C at a pressure of 50 atm results in MeF being the limiting reactant. Small amounts of CH{sub 4} are also formed. Significant MeOH synthesis rates at a pressure in the range of 40--50 atm makes possible the elimination of an upstream shift reactor and the use of an air-blown syngas generator. The nature of the catalysts was studied and correlated with the behavior of the various species in the concurrent synthesis.

  4. The Asian methanol market

    International Nuclear Information System (INIS)

    Nagase, Hideki

    1995-01-01

    For the purpose of this presentation, Asia has been broadly defined as a total of 15 countries, namely Japan, Korea, Taiwan, China, Hong Kong, the Philippines, Thailand, Malaysia, Singapore, Indonesia, Myanmar, India, Vietnam, Australia and New Zealand. In 1994 and the first half of 1995, the methanol industry and its derivative industries experienced hard time, because of extraordinarily high methanol prices. In spite of this circumstance, methanol demand in Asian countries has been growing steadily and remarkably, following Asian high economic growth. Most of this growth in demand has been and will continue to be met by outside supply. However, even with increased import of methanol from outside of Asia, as a result of this growth, Asian trade volume will be much larger in the coming years. Asian countries must turn their collective attention to making logistics and transportation for methanol and its derivatives more efficient in the Asian region to make better use of existing supply resources. The author reviews current economic growth as his main topic, and explains the forecast of the growth of methanol demand and supply in Asian countries in the near future

  5. Integrated methanol synthesis

    International Nuclear Information System (INIS)

    Jaeger, W.

    1982-01-01

    This invention concerns a plant for methanol manufacture from gasified coal, particularly using nuclear power. In order to reduce the cost of the hydrogen circuits, the methanol synthesis is integrated in the coal gasification plant. The coal used is gasified with hydration by means of hydrogen and the crude gas emerging, after cooling and separating the carbon dioxide and hydrogen sulphide, is mixed with the synthetic gas leaving the methane cracking furnace. This mixture is taken to the methanol synthesis and more than 90% is converted into methanol in one pass. The gas mixture remaning after condensation and separation of methanol is decomposed into three fractions in low temperature gas decomposition with a high proportion of unconverted carbon monoxide. The flow of methane is taken to the cracking furnace with steam, the flow of hydrogen is taken to the hydrating coal gasifier, and the flow of carbon monoxide is taken to the methanol synthesis. The heat required for cracking the methane can either be provided by a nuclear reactor or by the coke left after hydrating gasification. (orig./RB) [de

  6. Methanol May Function as a Cross-Kingdom Signal

    Science.gov (United States)

    Dorokhov, Yuri L.; Komarova, Tatiana V.; Petrunia, Igor V.; Kosorukov, Vyacheslav S.; Zinovkin, Roman A.; Shindyapina, Anastasia V.; Frolova, Olga Y.; Gleba, Yuri Y.

    2012-01-01

    Recently, we demonstrated that leaf wounding results in the synthesis of pectin methylesterase (PME), which causes the plant to release methanol into the air. Methanol emitted by a wounded plant increases the accumulation of methanol-inducible gene mRNA and enhances antibacterial resistance as well as cell-to-cell communication, which facilitates virus spreading in neighboring plants. We concluded that methanol is a signaling molecule involved in within-plant and plant-to-plant communication. Methanol is considered to be a poison in humans because of the alcohol dehydrogenase (ADH)-mediated conversion of methanol into toxic formaldehyde. However, recent data showed that methanol is a natural compound in normal, healthy humans. These data call into question whether human methanol is a metabolic waste product or whether methanol has specific function in humans. Here, to reveal human methanol-responsive genes (MRGs), we used suppression subtractive hybridization cDNA libraries of HeLa cells lacking ADH and exposed to methanol. This design allowed us to exclude genes involved in formaldehyde and formic acid detoxification from our analysis. We identified MRGs and revealed a correlation between increases in methanol content in the plasma and changes in human leukocyte MRG mRNA levels after fresh salad consumption by volunteers. Subsequently, we showed that the methanol generated by the pectin/PME complex in the gastrointestinal tract of mice induces the up- and downregulation of brain MRG mRNA. We used an adapted Y-maze to measure the locomotor behavior of the mice while breathing wounded plant vapors in two-choice assays. We showed that mice prefer the odor of methanol to other plant volatiles and that methanol changed MRG mRNA accumulation in the mouse brain. We hypothesize that the methanol emitted by wounded plants may have a role in plant-animal signaling. The known positive effect of plant food intake on human health suggests a role for physiological methanol in

  7. Thermal stability of biodiesel in supercritical methanol

    Energy Technology Data Exchange (ETDEWEB)

    Hiroaki Imahara; Eiji Minami; Shusaku Hari; Shiro Saka [Kyoto University, Kyoto (Japan). Department of Socio-Environmental Energy Science

    2008-01-15

    Non-catalytic biodiesel production technologies from oils/fats in plants and animals have been developed in our laboratory employing supercritical methanol. Due to conditions in high temperature and high pressure of the supercritical fluid, thermal stability of fatty acid methyl esters and actual biodiesel prepared from various plant oils was studied in supercritical methanol over a range of its condition between 270{sup o}C/17 MPa and 380{sup o}C/56 MPa. In addition, the effect of thermal degradation on cold flow properties was studied. As a result, it was found that all fatty acid methyl esters including poly-unsaturated ones were stable at 270{sup o}C/17 MPa, but at 350{sup o}C/43 MPa, they were partly decomposed to reduce the yield with isomerization from cis-type to trans-type. These behaviors were also observed for actual biodiesel prepared from linseed oil, safflower oil, which are high in poly-unsaturated fatty acids. Cold flow properties of actual biodiesel, however, remained almost unchanged after supercritical methanol exposure at 270{sup o}C/17 MPa and 350{sup o}C/43 MPa. For the latter condition, however, poly-unsaturated fatty acids were sacrificed to be decomposed and reduced in yield. From these results, it was clarified that reaction temperature in supercritical methanol process should be lower than 300{sup o}C, preferably 270{sup o}C with a supercritical pressure higher than 8.09 MPa, in terms of thermal stabilization for high-quality biodiesel production. 9 refs., 3 figs., 4 tabs.

  8. The study of methanol transformation over Cu-modified ZSM-5, Beta zeolite and MCM-41 mesoporous silica using 11C-radioisotope labeling

    International Nuclear Information System (INIS)

    Sarkadi-Priboczki, E.; Kovacs, Z.

    2004-01-01

    Complete text of publication follows. The copper-containing zeolites and mesoporous silica, among other metals, are suitable for dehydrogenation of methanol. The Cu transition metal determines the route of methanol conversion on supports of ZSM-5 and Beta zeolite as well as MCM-41 mesoporous silica. The catalysis mechanism and the catalytic property are concluded from the composition of methanol derivates over Cu-modified catalysts. The Cu ion-exchanged ZSM-5 and Beta zeolite and MCM-41 mesoporous silica were synthesized and characterized using X-ray power diffraction, scanning electron microscope, nitrogen and pyridine adsorption, X-ray fluorescency and FTIR spectroscopy. The 11 C-radioactive labeling method ( 11 C radioisotope, T 1/2 = 20 min, is a gamma emitter by annihilation of its positron) is suitable for following the process of 11 C-methanol con- version i.e. adsorption, desorption and catalytic transformation as well as for investigation of small amounts of molecules over catalysts by very sensitive radioactivity detectors.The 11 C radioisotope was produced at cyclotron and the 11 C-methanol was synthesized by a classical radiochemical method. After catalysis the 11 C-radioactive and non radioactive volatile products were identified by radiogas chromatography hereby radiolabeled compound and -derivates were distinguished from other participant natural, nonradioactive carbon compounds. Along radioactive products dimethyl ether and small hydrocarbons products were formed by Bronsted acid sites of catalysts while formaldehyde and small methyl formate were formed by Cu metal over bifunctional Cu-ZSM-5, Cu-Beta zeolite and mesoporous Cu-MCM-41 silica at 240 deg C. The detection of methoxy methanol and dimethoxy methane confirmed the simultaneous presence of acid and basic sites of catalysts. At higher temperature (400 deg C) the CO and CO 2 final products were dominated. In our previous works, methanol conversion to hydrocarbons was observed by dehydration

  9. Glass transition and intermixing of amorphous water and methanol

    International Nuclear Information System (INIS)

    Souda, Ryutaro

    2004-01-01

    The diffusion of molecules in amorphous water and methanol films has been investigated on the basis of time-of-flight secondary ion mass spectrometry as a function of temperature. The glass-liquid transition of the amorphous water film occurs at 130-145 K as confirmed from the surface segregation of embedded methanol molecules. The morphology of the pure amorphous water film changes drastically at 160 K as a consequence of dewetting induced by the surface tension and the strongly decreased viscosity of the film. The morphology of the amorphous methanol film changes at 115 K following the self-diffusion onset at 80 K. The binary films of water and heavy methanol are intermixed completely at 136 K as evidenced by the occurrence of the H/D exchange

  10. Oxidative stress, genotoxicity, and vascular cell adhesion molecule expression in cells exposed to particulate matter from combustion of conventional diesel and methyl ester biodiesel blends

    DEFF Research Database (Denmark)

    Hemmingsen, Jette Gjerke; Møller, Peter; Nøjgaard, Jakob Klenø

    2011-01-01

    cells (HUVECs). Viability and production of reactive oxygen species (ROS) were investigated in all cell types. We collected particles from combustion of D(100) and 20% (w/w) blends of animal fat or rapeseed oil methyl esters in light-duty vehicle engines complying with Euro2 or Euro4 standards......Our aim was to compare hazards of particles from combustion of biodiesel blends and conventional diesel (D(100)) in old and improved engines. We determined DNA damage in A549 cells, mRNA levels of CCL2 and IL8 in THP-1 cells, and expression of ICAM-1 and VCAM-1 in human umbilical cord endothelial....... Particles emitted from the Euro4 engine were smaller in size and more potent than particles emitted from the Euro2 engine with respect to ROS production and DNA damage, but similarly potent concerning cytokine mRNA expression. Particles emitted from combustion of biodiesel blends were larger in size...

  11. Novel methyl transfer during chemotaxis in Bacillus subtilis

    International Nuclear Information System (INIS)

    Thoelke, M.S.; Kirby, J.R.; Ordal, G.W.

    1989-01-01

    If Bacillus subtilis is incubated in radioactive methionine in the absence of protein synthesis, the methyl-accepting chemotaxis proteins (MCPs) become radioactively methylated. If the bacteria are further incubated in excess nonradioactive methionine (cold-chased) and then given the attractant aspartate, the MCPs lose about half of their radioactivity due to turnover, in which lower specific activity methyl groups from S-adenosylmethionine (AdoMet) replace higher specific activity ones. Due to the cold-chase, the specific activity of the AdoMet pool is reduced at least 2-fold. If, later, the attractant is removed, higher specific activity methyl groups return to the MCPs. Thus, there must exist an unidentified methyl carrier than can reversibly receive methyl groups from the MCPs. In a similar experiment, labeled cells were transferred to a flow cell and exposed to addition and removal of attractant and of repellent. All four kinds of stimuli were found to cause methanol production. Bacterial with maximally labeled MCPs were exposed to many cycles of addition and removal of attractant; the maximum amount of radioactive methanol was evolved on the third, not the first, cycle. This result suggests that there is a precursor-product relationship between methyl groups on the MCPs and on the unidentified carrier, which might be the direct source of methanol. However, since no methanol was produced when a methyltransferase mutant, whose MCPs were unmethylated, was exposed to addition and removal of attractant or repellent, the methanol must ultimately derive from methylated MCPs

  12. Direct Methanol Fuel Cell, DMFC

    Directory of Open Access Journals (Sweden)

    Amornpitoksuk, P.

    2003-09-01

    Full Text Available Direct Methanol Fuel Cell, DMFC is a kind of fuel cell using methanol as a fuel for electric producing. Methanol is low cost chemical substance and it is less harmful than that of hydrogen fuel. From these reasons it can be commercial product. The electrocatalytic reaction of methanol fuel uses Pt-Ru metals as the most efficient catalyst. In addition, the property of membrane and system designation are also effect to the fuel cell efficient. Because of low power of methanol fuel cell therefore, direct methanol fuel cell is proper to use for the energy source of small electrical devices and vehicles etc.

  13. Achieving a More Sustainable Process Design for the Production of Methanol

    DEFF Research Database (Denmark)

    Plaza, Cristina Calvera; Gonzalez Garcia, Marta; Callau, Ana Diez

    Methanol is an important chemical product because it can be used as a raw material for the production of other chemicals (1), for example dimethyl carbonate, formaldehyde and methyl tert-butyl ether and it is also one of the most produced bulk chemicals with an annual global production of 100...... million metric tonnes per year (1). Methanol can be produced using different reaction paths, for example natural gas. If natural gas is used for methanol production then CO2 is produced, utilized and can be emitted. Therefore, achieving a more sustainable design for the production of methanol...

  14. Evidence for excited state intramolecular charge transfer reaction in donor-acceptor molecule 5-(4-dimethylamino-phenyl)-penta-2,4-dienoic acid methyl ester: Experimental and quantum chemical approach

    International Nuclear Information System (INIS)

    Kumar Paul, Bijan; Samanta, Anuva; Kar, Samiran; Guchhait, Nikhil

    2010-01-01

    Intramolecular charge transfer (ICT) reaction has been investigated in 5-(4-dimethylamino-phenyl)-penta-2,4-dienoic acid methyl ester (DPDAME) using spectroscopic techniques. The molecule DPDAME shows local emission in non-polar solvent and dual emission in polar solvents. Solvatochromic effects on the Stokes shifted emission band clearly demonstrate the charge transfer character of the excited state. Quantum chemical calculations have been performed at Hartree-Fock (HF) and density functional theoretical (DFT) levels to correlate the experimental findings. Potential energy curves (PECs) for the ICT reaction have been evaluated along the donor twist angle at DFT and time dependent density functional theory (TDDFT) levels for the ground and excited states, respectively, using B3LYP hybrid functional and 6-31G** basis set. The solvent effects on the spectral properties have been explored theoretically at the same level with time dependent density functional theory-polarized continuum model (TDDFT-PCM) and the theoretical results are found to well substantiate the solvent polarity dependent Stokes shifted emission of DPDAME. Huge enhancement of dipole moment (Δμ=16.42 D) of the molecule following photoexcitation dictates the highly polar character of the excited state. Although elucidation of PECs does not exactly predict the operation of ICT according to twisted intramolecular charge transfer (TICT) model in DPDAME, lowering of vertical transition energy as a function of the donor twist coordinate scripts the occurrence of red shifted emission as observed experimentally.

  15. Hydrothermal oxidation of an epoxy resin through the study of two model molecules: N-methyl-acetamide and N,N-di[1(phenoxy)2-hydroxy propyl-3] propyl-amine

    International Nuclear Information System (INIS)

    Moutonnet-Fromonteil, C.

    2000-01-01

    The study consists in choosing and developing a technology to realize damage experiments of an epoxy resin which is used as coating of embedded nuclear samples. Hydrothermal oxidation is the chosen method. We first identified the chemical composition of the epoxy resin. Then we studied hydrolysis and oxidation of a molecule which contains a function of the epoxy network: N-methyl-acetamide. The comparison between our results and those already existing allowed to validate this degradation method. In a second part, we studied a model molecule of the polymer network: N, N-di[1(phenoxy)2-hydroxy propyl-3] propyl-amine. The hydrolysis temperatures are relatively high: the compound is totally destroyed at 300 deg C. Its oxidation leads to the formation of acetic acid from 220 deg C. In the third study, we determined the best experimental conditions to destroy the epoxy resin. Experiments were performed at different temperatures between 200 deg C and 410 deg C. The degradation rates are classically defined by amounts of constituents in liquid and gaseous phases. (author)

  16. Fundamental study of ionization and dissociation processes caused by electron impact in aromatic molecules; application of the quasi-equilibrium theory to phenanthrene and to methylphenanthrenes; Etudes fondamentales des processus d'ionisation et de dissociation des molecules aromatiques par impact electronique et application de la theorie du quasi-equilibre au phenanthrene et aux methyl-phenanthrenes

    Energy Technology Data Exchange (ETDEWEB)

    Nounou, P [Commissariat a l' Energie Atomique, Grenoble (France). Centre d' Etudes Nucleaires

    1969-07-01

    The quasi-equilibrium theory has been applied only to the family of long chain aliphatic hydrocarbons. We have tried to extend it to phenanthrene and methyl-phenanthrenes molecules, i.e. to aromatic molecules possessing a great number of degrees of freedom. In a first part, we have attempted to give a method of interpretation of the ionization and dissociation processes of the phenanthrenic molecules. These preliminary experimental studies of the behaviour under electron impact of the compounds provide us a great wealth of information about important structural transformations of the molecular and fragment ions, and also about auto-ionization and excitation processes of the studied molecules. The experimental study of the metastable peaks has then confirmed the validity of the preceding dissociation processes, while it gave with more accuracy some thermodynamical values in connection with decomposition reactions. The three studies of the ionization, then dissociation processes and of the metastable peaks, represent the three phases of a general method of interpretation of the fragmentation in mass spectrometry. In order to give this method a theoretical basis, we have carried out the molecular diagrams of each of the studied, compounds, showing by this way the aid of Quantum Mechanics to the study of excited and ionic states. In a second part, we have carried out the mass spectra of the phenanthrene and methyl-phenanthrenes molecules by means of the rate constants expression given by ROSENSTOCK. We have proposed new methods of calculation of the frequency factors, for the aliphatic molecules as well as the aromatic ones. If the rather good agreement observed between the experimental and calculated results cannot be surely attributed to the validity of the theory, however it out-lines the interest presented by the application of this theory to large aromatic molecules. Furthermore, the results at which we arrived provide us with interesting information about the

  17. Methanol from biomass and hydrogen

    International Nuclear Information System (INIS)

    Anon.

    1989-01-01

    For Hawaii in the near term, the only liquid fuels indigenous sources will be those that can be made from biomass, and of these, methanol is the most promising. In addition, hydrogen produced by electrolysis can be used to markedly increase the yield of biomass methanol. This paper calculates cost of producing methanol by an integrated system including a geothermal electricity facility plus a plant producing methanol by gasifying biomass and adding hydrogen produced by electrolysis. Other studies cover methanol from biomass without added hydrogen and methanol from biomass by steam and carbon dioxide reforming. Methanol is made in a two-step process: the first is the gasification of biomass by partial oxidation with pure oxygen to produce carbon oxides and hydrogen, and the second is the reaction of gases to form methanol. Geothermal steam is used to generate the electricity used for the electrolysis to produce the added hydrogen

  18. Electron stimulated reactions of methyl iodide coadsorbed with amorphous solid water

    International Nuclear Information System (INIS)

    Perry, C. C.; Faradzhev, N. S.; Madey, T. E.; Fairbrother, D. H.

    2007-01-01

    The electron stimulated reactions of methyl iodide (MeI) adsorbed on and suspended within amorphous solid water (ice) were studied using a combination of postirradiation temperature programmed desorption and reflection absorption infrared spectroscopy. For MeI adsorbed on top of amorphous solid water (ice), electron beam irradiation is responsible for both structural and chemical transformations within the overlayer. Electron stimulated reactions of MeI result principally in the formation of methyl radicals and solvated iodide anions. The cross section for electron stimulated decomposition of MeI is comparable to the gas phase value and is only weakly dependent upon the local environment. For both adsorbed MeI and suspended MeI, reactions of methyl radicals within MeI clusters lead to the formation of ethane, ethyl iodide, and diiodomethane. In contrast, reactions between the products of methyl iodide and water dissociation are responsible for the formation of methanol and carbon dioxide. Methane, formed as a result of reactions between methyl radicals and either parent MeI molecules or hydrogen atoms, is also observed. The product distribution is found to depend on the film's initial chemical composition as well as the electron fluence. Results from this study highlight the similarities in the carbon-containing products formed when monohalomethanes coadsorbed with amorphous solid water are irradiated by either electrons or photons

  19. Identification of marine methanol-utilizing bacteria

    Energy Technology Data Exchange (ETDEWEB)

    Yamamoto, M; Iwaki, H; Kouno, K; Inui, T

    1980-01-01

    A taxonomical study of 65 marine methanol-utilizing bacteria is described. They were Gram-negative, non-spore-forming rods with a polar flagellum and had marine bacterial properties and required vitamin B/sub 12/ for growth. All of them assimilated fructose in addition to C/sub 1/-compounds and produced acid oxidatively from fructose. Twenty-four strains assimilated only C/sub 1/-compounds. They were resistant to penicillin, oxytetracycline and 0/129 substance (Vibrio stat), and tolerant to 12% NaCl. Guanine-cytosine contents of deoxyribonucleic acid in typical strains fell in the range of 43.8 to 47.6%. Other morphological and physiological properties were almost the same as those of terrestrial methanol-utilizers. Bacteria in the first group (41 strains) were facultative methylotrophs and were divided into three subgroups by the assimilation of methylated amines, that is, subgroup I (30 strains) assimilated mono-, di- and tri-methylamine, subgroup II (9 strains) assimilated only mono-methylamine, the bacteria of subgroups I and II were named Alteromonas thalassomethanolica sp. nov. and subgroup III (2 strains) did not assimilate methylated amines, and was tentatively assigned as Alteromonas sp. The second group of bacteria (24 strains) was obligate methylotrophs, named Methylomonas thalassica sp. nov. and was divided into subgroup IV (15 strains) which assimilated mono-, di and tri-methylamine and subgroup V (9 strains) which assimilated mono-methylamine.

  20. Hot new gamble on methanol

    Energy Technology Data Exchange (ETDEWEB)

    Hatton, J.

    1981-10-01

    Methanol from coal, wood, or natural gas is being considered as an extender or an alternative source of gasoline. Firms such as Nova and Celanese are gambling millions on the proposition that methanol is a crucial steppingstone to the fuels and chemicals of the future. With a new process developed by Mobil Oil, methanol from coal could be converted into gasoline. By the 1990s Imperial Oil Ltd. expects there will be at least one methanol plant using Alberta coal. These and other plans by the Alberta and British Columbia governments and by Canadian industry to produce methanol are reported.

  1. Methanol ice co-desorption as a mechanism to explain cold methanol in the gas-phase

    Science.gov (United States)

    Ligterink, N. F. W.; Walsh, C.; Bhuin, R. G.; Vissapragada, S.; van Scheltinga, J. Terwisscha; Linnartz, H.

    2018-05-01

    Context. Methanol is formed via surface reactions on icy dust grains. Methanol is also detected in the gas-phase at temperatures below its thermal desorption temperature and at levels higher than can be explained by pure gas-phase chemistry. The process that controls the transition from solid state to gas-phase methanol in cold environments is not understood. Aims: The goal of this work is to investigate whether thermal CO desorption provides an indirect pathway for methanol to co-desorb at low temperatures. Methods: Mixed CH3OH:CO/CH4 ices were heated under ultra-high vacuum conditions and ice contents are traced using RAIRS (reflection absorption IR spectroscopy), while desorbing species were detected mass spectrometrically. An updated gas-grain chemical network was used to test the impact of the results of these experiments. The physical model used is applicable for TW Hya, a protoplanetary disk in which cold gas-phase methanol has recently been detected. Results: Methanol release together with thermal CO desorption is found to be an ineffective process in the experiments, resulting in an upper limit of ≤ 7.3 × 10-7 CH3OH molecules per CO molecule over all ice mixtures considered. Chemical modelling based on the upper limits shows that co-desorption rates as low as 10-6 CH3OH molecules per CO molecule are high enough to release substantial amounts of methanol to the gas-phase at and around the location of the CO thermal desorption front in a protoplanetary disk. The impact of thermal co-desorption of CH3OH with CO as a grain-gas bridge mechanism is compared with that of UV induced photodesorption and chemisorption.

  2. Methanol commercial aviation fuel

    International Nuclear Information System (INIS)

    Price, R.O.

    1992-01-01

    Southern California's heavy reliance on petroleum-fueled transportation has resulted in significant air pollution problems within the south Coast Air Basin (Basin) which stem directly from this near total dependence on fossil fuels. To deal with this pressing issue, recently enacted state legislation has proposed mandatory introduction of clean alternative fuels into ground transportation fleets operating within this area. The commercial air transportation sector, however, also exerts a significant impact on regional air quality which may exceed emission gains achieved in the ground transportation sector. This paper addresses the potential, through the implementation of methanol as a commercial aviation fuel, to improve regional air quality within the Basin and the need to flight test and demonstrate methanol as an environmentally preferable fuel in aircraft turbine engines

  3. Methanol and carbonylation

    Energy Technology Data Exchange (ETDEWEB)

    Gauthier-Lafaye, J.; Perron, R.

    1987-01-01

    The overall focus of the book is on homogeneous catalysed processes which were seen to offer the most promising routes to C/sub 2/ oxygenates. The first three chapters review the industrial synthesis and applications of carbon monoxide such as in the manufacture of gasoline (e.g. Fischer-Tropsch, Mobil processes), organic chemicals (e.g. ethanol, acetic acid, etc.), industrial importance of C/sub 2/ oxygenates, and use of methanol as a future feedstock are discussed. The next six chapters are each concerned with the production of a particular C/sub 2/ oxygenate and a detailed analysis of the methods and catalysts used. The hydrocarbonylation of methanol occupies a large chapter (136 references) with a comparative examination of the catalysts available, and their modification to increase selectivity to either acetylaldehyde or ethanol. Following chapters examine the synthesis of ethyl acetate, acetic acid, acetic anhydride, vinyl acetate, ethylene glycol and oxalic acid.

  4. FORMATION AND RECONDENSATION OF COMPLEX ORGANIC MOLECULES DURING PROTOSTELLAR LUMINOSITY OUTBURSTS

    International Nuclear Information System (INIS)

    Taquet, Vianney; Wirström, Eva S.; Charnley, Steven B.

    2016-01-01

    During the formation of stars, the accretion of surrounding material toward the central object is thought to undergo strong luminosity outbursts followed by long periods of relative quiescence, even at the early stages of star formation when the protostar is still embedded in a large envelope. We investigated the gas-phase formation and recondensation of the complex organic molecules (COMs) di-methyl ether and methyl formate, induced by sudden ice evaporation processes occurring during luminosity outbursts of different amplitudes in protostellar envelopes. For this purpose, we updated a gas-phase chemical network forming COMs in which ammonia plays a key role. The model calculations presented here demonstrate that ion–molecule reactions alone could account for the observed presence of di-methyl ether and methyl formate in a large fraction of protostellar cores without recourse to grain-surface chemistry, although they depend on uncertain ice abundances and gas-phase reaction branching ratios. In spite of the short outburst timescales of about 100 years, abundance ratios of the considered species higher than 10% with respect to methanol are predicted during outbursts due to their low binding energies relative to water and methanol which delay their recondensation during cooling. Although the current luminosity of most embedded protostars would be too low to produce complex organics in the hot-core regions that are observable with current sub-millimetric interferometers, previous luminosity outburst events would induce the formation of COMs in extended regions of protostellar envelopes with sizes increasing by up to one order of magnitude

  5. Formation and Recondensation of Complex Organic Molecules during Protostellar Luminosity Outbursts

    Science.gov (United States)

    Taquet, Vianney; Wirström, Eva S.; Charnley, Steven B.

    2016-04-01

    During the formation of stars, the accretion of surrounding material toward the central object is thought to undergo strong luminosity outbursts followed by long periods of relative quiescence, even at the early stages of star formation when the protostar is still embedded in a large envelope. We investigated the gas-phase formation and recondensation of the complex organic molecules (COMs) di-methyl ether and methyl formate, induced by sudden ice evaporation processes occurring during luminosity outbursts of different amplitudes in protostellar envelopes. For this purpose, we updated a gas-phase chemical network forming COMs in which ammonia plays a key role. The model calculations presented here demonstrate that ion-molecule reactions alone could account for the observed presence of di-methyl ether and methyl formate in a large fraction of protostellar cores without recourse to grain-surface chemistry, although they depend on uncertain ice abundances and gas-phase reaction branching ratios. In spite of the short outburst timescales of about 100 years, abundance ratios of the considered species higher than 10% with respect to methanol are predicted during outbursts due to their low binding energies relative to water and methanol which delay their recondensation during cooling. Although the current luminosity of most embedded protostars would be too low to produce complex organics in the hot-core regions that are observable with current sub-millimetric interferometers, previous luminosity outburst events would induce the formation of COMs in extended regions of protostellar envelopes with sizes increasing by up to one order of magnitude.

  6. FORMATION AND RECONDENSATION OF COMPLEX ORGANIC MOLECULES DURING PROTOSTELLAR LUMINOSITY OUTBURSTS

    Energy Technology Data Exchange (ETDEWEB)

    Taquet, Vianney [Leiden Observatory, Leiden University, P.O. Box 9513, 2300-RA Leiden (Netherlands); Wirström, Eva S. [Department of Earth and Space Sciences, Chalmers University of Technology, Onsala Space Observatory, SE-439 92 Onsala (Sweden); Charnley, Steven B. [Astrochemistry Laboratory and The Goddard Center for Astrobiology, Mailstop 691, NASA Goddard Space Flight Center, 8800 Greenbelt Road, Greenbelt, MD 20770 (United States)

    2016-04-10

    During the formation of stars, the accretion of surrounding material toward the central object is thought to undergo strong luminosity outbursts followed by long periods of relative quiescence, even at the early stages of star formation when the protostar is still embedded in a large envelope. We investigated the gas-phase formation and recondensation of the complex organic molecules (COMs) di-methyl ether and methyl formate, induced by sudden ice evaporation processes occurring during luminosity outbursts of different amplitudes in protostellar envelopes. For this purpose, we updated a gas-phase chemical network forming COMs in which ammonia plays a key role. The model calculations presented here demonstrate that ion–molecule reactions alone could account for the observed presence of di-methyl ether and methyl formate in a large fraction of protostellar cores without recourse to grain-surface chemistry, although they depend on uncertain ice abundances and gas-phase reaction branching ratios. In spite of the short outburst timescales of about 100 years, abundance ratios of the considered species higher than 10% with respect to methanol are predicted during outbursts due to their low binding energies relative to water and methanol which delay their recondensation during cooling. Although the current luminosity of most embedded protostars would be too low to produce complex organics in the hot-core regions that are observable with current sub-millimetric interferometers, previous luminosity outburst events would induce the formation of COMs in extended regions of protostellar envelopes with sizes increasing by up to one order of magnitude.

  7. An in situ infrared study of dimethyl carbonate synthesis from carbon dioxide and methanol over zirconia

    International Nuclear Information System (INIS)

    Jung, Kyeong Taek; Bell, Alexis T.

    2001-01-01

    The mechanism of dimethyl carbonate (DMC) synthesis from methanol and carbon dioxide over monoclinic zirconia has been investigated using in situ infrared spectroscopy. The dissociative adsorption of methanol occurs more slowly than the adsorption of carbon dioxide, but the species formed from methanol are bound more strongly. Upon adsorption, the oxygen atom of methanol binds to coordinately unsaturated Zr4+ cations present at the catalyst surface. Rapid dissociation of the adsorbed methanol leads to the formation of a methoxide group (Zr-OCH3) and the release of a proton, which reacts with a surface hydroxyl group to produce water. Carbon dioxide inserts in the Zr-O bond of the methoxide to form a mondentate methyl carbonate group (Zr-OC(O)OCH3). This process is facilitated by the interactions of C and O atoms in CO2 with Lewis acid-base pairs of sites (Zr4+O2-) on the surface of the catalyst. Methyl carbonate species can also be produced via the reaction of methanol with carbon dioxide adsorbed in the form of bicarbonate species with methanol, a process that results in the transfer of a methyl group to the carbonate and restores a hydroxyl group to the zirconia surface. The decomposition of DMC on monoclinic zirconia has also been investigated and has been observed to occur via the reverse of the processes described for the synthesis of DMC

  8. Deciphering Periodic Methanol Masers

    Science.gov (United States)

    Stecklum, Bringfried; Caratti o Garatti, Alessio; Henning, Thomas; Hodapp, Klaus; Hopp, Ulrich; Kraus, Alex; Linz, Hendrik; Sanna, Alberto; Sobolev, Andrej; Wolf, Verena

    2018-05-01

    Impressive progress has been made in recent years on massive star formation, yet the involved high optical depths even at submm/mm wavelengths make it difficult to reveal its details. Recently, accretion bursts of massive YSOs have been identified to cause flares of Class II methanol masers (methanol masers for short) due to enhanced mid-IR pumping. This opens a new window to protostellar accretion variability, and implies that periodic methanol masers hint at cyclic accretion. Pinning down the cause of the periodicity requires joint IR and radio monitoring. We derived the first IR light curve of a periodic maser host from NEOWISE data. The source, G107.298+5.639, is an intermediate-mass YSO hosting methanol and water masers which flare every 34.5 days. Our recent joint K-band and radio observations yielded first but marginal evidence for a phase lag between the rise of IR and maser emission, respectively, and revealed that both NEOWISE and K-band light curves are strongly affected by the light echo from the ambient dust. Both the superior resolution of IRAC over NEOWISE and the longer wavelengths compared to our ground-based imaging are required to inhibit the distractive contamination by the light echo. Thus, we ask for IRAC monitoring of G107 to cover one flare cycle, in tandem with 100-m Effelsberg and 2-m Wendelstein radio and NIR observations to obtain the first high-quality synoptic measurements of this kind of sources. The IR-maser phase lag, the intrinsic shape of the IR light curves and their possible color variation during the cycle allow us to constrain models for the periodic maser excitation. Since methanol masers are signposts of intermediate-mass and massive YSOs, deciphering their variability offers a clue to the dynamics of the accretion-mediated growth of massive stars and their feedback onto the immediate natal environment. The Spitzer light curve of such a maser-hosting YSO would be a legacy science product of the mission.

  9. Photoluminescence spectral study of single cadmium selenide/zinc sulfide colloidal nanocrystals in poly(methyl methacrylate) and quantum dots molecules

    Science.gov (United States)

    Shen, Yaoming

    -dot molecules (QDMs), which are clusters of a few QDs, has attracted attention as a possible implementation of future quantum devices such as quantum cellular antomata. With the advances in crystal growth techniques, the fabrication methods for nanostructures have been improved continuously. Lateral QDMs have been achieved. As a side topic, lateral QDMs have been studied and the result is presented in the last chapter.

  10. Crystal structure of di-μ-chlorido-bis[dichloridobis(methanol-κOiridium(III] dihydrate: a surprisingly simple chloridoiridium(III dinuclear complex with methanol ligands

    Directory of Open Access Journals (Sweden)

    Joseph S. Merola

    2015-05-01

    Full Text Available The reaction between IrCl3·xH2O in methanol led to the formation of small amounts of the title compound, [Ir2Cl6(CH3OH4]·2H2O, which consists of two IrCl4O2 octahedra sharing an edge via chloride bridges. The molecule lies across an inversion center. Each octahedron can be envisioned as being comprised of four chloride ligands in the equatorial plane with methanol ligands in the axial positions. A lattice water molecule is strongly hydrogen-bonded to the coordinating methanol ligands and weak interactions with coordinating chloride ligands lead to the formation of a three-dimensional network. This is a surprising structure given that, while many reactions of iridium chloride hydrate are carried out in alcoholic solvents, especially methanol and ethanol, this is the first structure of a chloridoiridium compound with only methanol ligands.

  11. Study of the atomic motion in methanol by slow neutron scattering

    International Nuclear Information System (INIS)

    Rodrigues, C.

    1979-01-01

    Cold neutron scattering data are reported for methyl alcohol in the liquid phase at room temperature. The quasielastic scattering was interpreted using the Larsson and Bergstedt model, that takes into account intramolecular motions and molecular diffusion. On the basis of this model, one finds for the relaxation time of the hindered rotation of the CH 3 group within the molecule a value 2,4 x 10 -12 sec. The analysis of the quasielastic scattering to the L-B model explain in a consistent way our experimental results in a range of momentum transfers of about 0.80 - 1.55A -1 . In the inelastic region some structure is observed at energy transfers of 22, 17 and 5 meV. The 17 meV energy transfer is associated with the 1→0 transition of the torsional oscillations of the methyl group. The activation energy for the above motion was calculated to be E=1.3 kcal/mol, in good agreement with the value of the barrier height for internal rotation of the CH 3 in methanol, obtained by microwave methods. (Author) [pt

  12. A Four-Site Molecular Model for Simulations of Liquid Methanol and Water-Methanol Mixtures: MeOH-4P.

    Science.gov (United States)

    Martínez-Jiménez, Manuel; Saint-Martin, Humberto

    2018-04-17

    In this work, we present a new four-site potential for methanol, MeOH-4P, fitted to reproduce the dielectric constant ε, the surface tension γ s , and the liquid density ρ of the pure liquid at T = 298.15 K and p = 1 bar. The partial charges on each site were taken from the OPLS/2016 model with the only difference of putting the negative charge on the fourth site ( M) instead of on the O atom, as done in four-site water models. The original Lennard-Jones (LJ) parameters of OPLS/2016 for the methyl moiety (Me) were modified for the fitting of ρ and γ s , whereas the parameters of the TIP4P-FB water model were used for the O atom without change. Taking into account the energetic cost of the enhanced dipole relative to the isolated molecule, the results from simulations with this model showed good agreement with experiments for ρ, α p , κ T , C p , and Δ H v- l . Also, the temperature dependence of γ s and ε is satisfactory in the interval between 260 and 360 K, and the critical point description is similar to that of OPLS/2016. It is shown that orientational correlations, described by the Kirkwood factor G k , play a prominent role in the appropriate description of dielectric constants in existing models; unfortunately, the enhancement of the dipole moment produced a low diffusion coefficient D MeOH ; thus, a compromise was required between a good reproduction of ε and an acceptable D MeOH . The use of a fourth site resulted in a significant improvement for water-methanol mixtures described with TIP4P-FB and MeOH-4P, respectively, but required the modification of the LJ geometric combination rule to allow a good description of the methanol molar-fraction dependence of ρ, ε, and methanol (water) diffusion coefficients D MeOH ( D H 2 O ) and excess volume of mixing Δ V mix in the entire range of composition. The resulting free energy of hydration Δ G hyd shows excellent agreement with experiments in the interval between 280 and 360 K.

  13. Methanol sensing characteristics of conducting polypyrrole-silver nanocomposites

    Science.gov (United States)

    Kabir, L.; Mandal, S. K.

    2012-05-01

    Methanol sensing characteristics of conducting polypyrrole-silver nanocomposites are reported here. The nanocomposites are synthesized by wet chemical technique with different amount of silver loadings (5-15 mol%). The sensitivity of the nanocomposites upon exposure to gas molecules is critically dependent on the silver loadings and the concentration of the exposed gas. This is possibly instigated by the modified metal-polymer interface and the polar nature of the constituent metal and the exposed gas. Interaction of the alcohol gas with the polypyrrole chains in the presence of silver effectively determines the change in resistance and hence the sensitivity of the nanocomposites upon exposure to methanol. The adsorption of methanol molecules within the nanocomposites and the subsequent chemical reactions are studied by Fourier transform infrared (FTIR) spectroscopy.

  14. The (p, ρ, T) of (methanol + benzene) and (methanol + ethylbenzene)

    International Nuclear Information System (INIS)

    Naziev, Yashar M.; Shahverdiyev, Astan N.; Hasanov, Vaqif H.

    2005-01-01

    The (p, ρ, T) of methanol, ethylbenzene and (methanol + benzene) and (methanol + ethylbenzene) at temperatures between (290 and 500) K and pressures in the range (0.1 to 60) MPa have been measured with a magnetic suspension densimeter with an uncertainty of ±0.1%. Our measurements with methanol deviate from the literature values by less than 0.2%. The (p, ρ, T) measurements were fitted with experimental uncertainties by an empirical equation. The temperature and mole fraction dependence of the coefficients of the equation of state are presented

  15. Formaldehyde, methanol and hydrocarbon emissions from methanol-fueled cars

    International Nuclear Information System (INIS)

    Williams, R.L.; Lipari, F.; Potter, R.A.

    1990-01-01

    Exhaust and evaporative emissions tests were conducted on several methanol- and gasoline-fueled vehicles. Separate samples for chromatographic analysis of formaldehyde, methanol, and individual hydrocarbons were collected in each of the three phases of the driving cycle and in each of the two portions of the evaporative emissions test. One vehicle, equipped with an experimental variable-fuel engine, was tested using methanol/gasoline fuel mixtures of 100, 85, 50, 15, and 0 percent methanol. Combustion-generated hydrocarbons were lowest using methanol fuel, and increased several-fold as the gasoline fraction was increased. Gasoline components in the exhaust increased from zero as the gasoline fraction of the fuel was increased. On the other hand, formaldehyde emissions were several times higher using methanol fuel than they were using gasoline. A dedicated methanol car and the variable-fuel car gave similar emissions patterns when they both were tested using methanol fuel. The organic-carbon composition of the exhaust was 85-90 percent methanol, 5-7 percent formaldehyde, and 3-9 percent hydrocarbons. Several cars that were tested using gasoline emitted similar distributions of hydrocarbons, even through the vehicles represented a broad range of current and developmental engine families and emissions control systems

  16. Disinfectant effect of Methylated Ethanol against Listeria species

    OpenAIRE

    Y Yakubu; M D Salihu; O O Faleke; M B Abubakar; A A Magaji,A U Junaidu

    2012-01-01

    This study was carried out in order to determine the disinfectant effect of Methylated spirit® (95% methanol and 5% ethanol) as a teat dip against Listeria species. Hand milking was employed to collect 576 (288 x 2) raw milk samples from different lactating cows within Sokoto metropolis (Nigeria). 288 samples were collected before disinfecting the udder teats with Methylated spirit®, while the other 288 were collected after disinfection with Methylated spirit®. The ...

  17. Origin of methyl torsional potential barrier – An overview

    Indian Academy of Sciences (India)

    Unknown

    This paper presents the evolution of views on methyl internal rotation ... recognized in the early years of quantum theory.1 Since then, detailed experimental and ..... C−C bond in the methyl conjugated molecules is an important factor for barrier.

  18. Dissociation of Methanol and Acetylene by slow Highly Charged Ion Collision

    International Nuclear Information System (INIS)

    De, Sankar; Rajput, Jyoti; Roy, A; Ahuja, R; Ghosh, P N; Safvan, C P

    2007-01-01

    We report here the results of dissociation of multiple charged methanol and acetylene molecules in collision with 1.2 MeV Ar 8+ projectiles. We observed a wide range of dissociation products from the TOF spectrum starting from undissociated molecular ions, fragments losing an hydrogen atom due to breakage of C-H and/or O-H bonds, to complete rupture of C-C and C-O skeletons for the respective molecules. From the coincidence map of the fragments, we could separate out the different dissociation channels between carbon and oxygen ionic fragments as well as complete two-body dissociation events. The most striking feature in the breakup of CH 3 OH is the formation of H 2 + and H 3 + due to intramolecular rearrangement of the C-H bonds within the methyl group. In dissociative ionization studies of C 2 H 2 , we observed a diatom-like behaviour of the C-C charged complex as evidenced from the measured slopes of the coincidence islands for carbon atomic charged fragments and theoretical values determined from the charge and momentum distribution of the correlated particles. The shape and orientation of the islands give further information about the momentum balance in the fragmentation process in two-body dissociation

  19. Methyl gallate is a natural constituent of maple (Genus Acer) leaves.

    Science.gov (United States)

    Abou-Zaid, Mamdouh M; Lombardo, Domenic A; Nozzolillo, Constance

    2009-01-01

    Methyl gallate was found in ethanolic extracts of red maple (Acer rubrum L.), silver maple (A. saccharinum L.) and sugar maple (A. saccharum Marsh) leaves, but more was present in methanolic extracts. The increased amount of methyl gallate in methanolic extracts was accompanied by a disappearance of m-digallate. It is concluded that only some of the methyl gallate detected in methanolic extracts is an artefact as a result of methanolysis of m-digallate. Its presence in ethanolic extracts is evidence that it is also a natural constituent of maple leaves.

  20. Development of methanol evaporation plate to reduce methanol crossover in a direct methanol fuel cell

    Science.gov (United States)

    Zhang, Ruiming

    This research focuses on methanol crossover reduction in direct methanol fuel cells (DMFC) through separating the methanol vapor from its liquid phase and feeding the vapor passively at low temperature range. Membrane electrode assemblies (MEAs) were fabricated by using commercial available membrane with different thickness at different anode catalyst loading levels, and tested under the operating conditions below 100°C in cell temperature and cathode exit open to ambient pressure. Liquid methanol transport from the anode through the membrane into cathode ("methanol crossover") is identified as one of the major efficiency losses in a DMFC. It is known that the methanol crossover rate in the vapor phase is much lower than in liquid phase. Vapor feed can be achieved by heating the liquid methanol to elevated temperatures (>100°C), but other issues limit the performance of the cell when operating above 100°C. High temperature membranes and much more active cathode catalyst structures are required, and a complex temperature control system must be employed. However, methanol vapor feed can also occur at a lower temperature range (evaporation through a porous body. The methanol crossover with this vapor feed mode is lower compared with the direct liquid methanol feed. A new method of using a methanol evaporation plate (MEP) to separate the vapor from its liquid phase to reduce the liquid methanol crossover at low temperature range is developed. A MEP plays the roles of liquid/vapor methanol phase separation and evaporation in a DMFC. The goal of this study is to develop a MEP with the proper properties to achieve high methanol phase separation efficiency and fast methanol evaporation rate over a wide range of temperature, i.e., from room temperature up to near boiling temperature (100°C). MEP materials were selected and characterized. MEPs made from three different types were tested extensively with different MEA and porous back layer configurations. The benefits of

  1. Millimetre wavelength methanol masers survey towards massive star forming regions

    Science.gov (United States)

    Umemoto, T.; Mochizuki, N.; Shibata, K. M.; Roh, D.-G.; Chung, H.-S.

    2007-03-01

    We present the results of a mm wavelength methanol maser survey towards massive star forming regions. We have carried out Class II methanol maser observations at 86.6 GHz, 86.9 GHz and 107.0 GHz, simultaneously, using the Nobeyama 45 m telescope. We selected 108 6.7 GHz methanol maser sources with declinations above -25 degrees and fluxes above 20 Jy. The detection limit of maser observations was ~3 Jy. Of the 93 sources surveyed so far, we detected methanol emission in 25 sources (27%) and “maser” emission in nine sources (10%), of which thre “maser” sources are new detections. The detection rate for maser emission is about half that of a survey of the southern sky (Caswell et al. 2000). There is a correlation between the maser flux of 107 GHz and 6.7 GHz/12 GHz emission, but no correlation with the “thermal” (non maser) emission. From results of other molecular line observations, we found that the sources with methanol emission show higher gas temperatures and twice the detection rate of SiO emission. This may suggest that dust evaporation and destruction by shock are responsible for the high abundance of methanol molecules, one of the required physical conditions for maser emission.

  2. Electrokinetic transport of water and methanol in Nafion membranes as observed by NMR spectroscopy

    International Nuclear Information System (INIS)

    Hallberg, Fredrik; Vernersson, Thomas; Pettersson, Erik Thyboll; Dvinskikh, Sergey V.; Lindbergh, Goeran; Furo, Istvan

    2010-01-01

    Electrophoretic NMR (eNMR) and pulsed-field-gradient NMR (PFG-NMR) methods were used to study transport processes in situ and in a chemically resolved manner in the electrolyte of an experimental direct methanol fuel cell (DMFC) setup, constituted of several layers of Nafion 117. The measurements were conducted at room temperature for membranes fully swollen by methanol-water mixtures over a wide concentration interval. The experimental setup and the experimental protocol for the eNMR experiments are discussed in detail. The magnitude of the water and methanol self-diffusion coefficients show a good agreement with previously published data while the ratio of the two self-diffusion coefficients may indicate an imperfect mixing of the two solvent molecules. On the molecular level, the drag of water and methanol molecules by protons is roughly of the same magnitude, with the drag of methanol molecules increasing with increasing methanol content. The electro-osmotic drag defined on mass-flow basis increased for methanol from a low level with increasing methanol concentration while that of water remained roughly constant.

  3. Application of metal triflate catalysts for the trans-esterification of Jatropha curcas L. oil with methanol and higher alcohols

    NARCIS (Netherlands)

    Daniel, Louis; Rasrendra, Carolus B.; Kloekhorst, Arjan; Broekhuis, Antonius A.; Manurung, Robert; Heeres, Hero J.

    This paper describes an experimental study on the application of metal triflate salts for the (trans-) esterification of fatty esters (triolein, methyl oleate, methyl linoleate), fatty acid (oleic acid), as well as Jatropha curcas L. oil with methanol and higher alcohols (ethanol, n-propanol,

  4. Methanol as an energy carrier

    Energy Technology Data Exchange (ETDEWEB)

    Biedermann, P.; Grube, T.; Hoehlein, B. (eds.)

    2006-07-01

    For the future, a strongly growing energy demand is expected in the transport sector worldwide. Economically efficient oil production will run through a maximum in the next decade. Higher fuel prices and an environmentally desirable reduction of emissions will increase the pressure for reducing fuel consumption and emissions in road traffic. These criteria show the urgent necessity of structural changes in the fuel market. Due to its advantages concerning industrial-scale production, storage and global availability, methanol has the short- to medium-term potential for gaining increased significance as a substitution product in the energy market. Methanol can be produced both from fossil energy sources and from biomass or waste materials through the process steps of synthesis gas generation with subsequent methanol synthesis. Methanol has the potential to be used in an environmentally friendly manner in gasoline/methanol mixtures for flexible fuel vehicles with internal combustion engines and in diesel engines with pure methanol. Furthermore, it can be used in fuel cell vehicles with on-board hydrogen production in direct methanol fuel cell drives, and in stationary systems for electricity and heat generation as well as for hydrogen production. Finally, in portable applications it serves as an energy carrier for electric power generation. In this book, the processes for the production and use of methanol are presented and evaluated, markets and future options are discussed and issues of safety and environmental impacts are addressed by a team of well-known authors. (orig.)

  5. Methanol synthesis beyond chemical equilibrium

    NARCIS (Netherlands)

    van Bennekom, J. G.; Venderbosch, R. H.; Winkelman, J. G. M.; Wilbers, E.; Assink, D.; Lemmens, K. P. J.; Heeres, H. J.

    2013-01-01

    In commercial methanol production from syngas, the conversion is thermodynamically limited to 0.3-0.7 leading to large recycles of non-converted syngas. This problem can be overcome to a significant extent by in situ condensation of methanol during its synthesis which is possible nowadays due to the

  6. Methylnaltrexone bromide methanol monosolvate

    Directory of Open Access Journals (Sweden)

    Xinbo Zhou

    2012-03-01

    Full Text Available In the title compound [systematic name: (4R,4aS,7aR,12bS-3-cyclopropylmethyl-4a,9-hydroxy-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium bromide methanol monosolvate], C21H26NO4+·Br−·CH3OH, two of the three six-membered rings adopt chair conformations while the third, which contains a C=C double bond, adopts an approximate half-boat conformation. The 2,3-dihydrofuran ring adopts an envelope conformation. In the crystal, the components are linked by O—H...O and O—H...Br hydrogen bonds. The absolute stereochemistry was inferred from one of the starting materials.

  7. Simultaneous Determination of Salicylic Acid, Jasmonic Acid, Methyl Salicylate, and Methyl Jasmonate from Ulmus pumila Leaves by GC-MS

    Directory of Open Access Journals (Sweden)

    Zhi-hong Huang

    2015-01-01

    Full Text Available Salicylic acid, jasmonic acid, methyl salicylate, and methyl jasmonate are important phytohormones and defensive signaling compounds, so it is of great importance to determine their levels rapidly and accurately. The study uses Ulmus pumila leaves infected by Tetraneura akinire Sasaki at different stages as materials; after extraction with 80% methanol and ethyl acetate and purification with primary secondary amine (PSA and graphitized carbon blacks (GCB, the contents of signal compounds salicylic acid, jasmonic acid, methyl salicylate, and methyl jasmonate were determined by GC-MS. The results showed that the level of salicylic acid, jasmonic acid, methyl salicylate, and methyl jasmonate increased remarkably in U. pumila once infected by T. akinire Sasaki, but the maximums of these four compounds occurred at different times. Salicylic acid level reached the highest at the early stage, and jasmonic acid level went to the maximum in the middle stage; by contrast, change of content of methyl salicylate and methyl jasmonate was the quite opposite.

  8. Simultaneous Determination of Salicylic Acid, Jasmonic Acid, Methyl Salicylate, and Methyl Jasmonate from Ulmus pumila Leaves by GC-MS.

    Science.gov (United States)

    Huang, Zhi-Hong; Wang, Zhi-Li; Shi, Bao-Lin; Wei, Dong; Chen, Jian-Xin; Wang, Su-Li; Gao, Bao-Jia

    2015-01-01

    Salicylic acid, jasmonic acid, methyl salicylate, and methyl jasmonate are important phytohormones and defensive signaling compounds, so it is of great importance to determine their levels rapidly and accurately. The study uses Ulmus pumila leaves infected by Tetraneura akinire Sasaki at different stages as materials; after extraction with 80% methanol and ethyl acetate and purification with primary secondary amine (PSA) and graphitized carbon blacks (GCB), the contents of signal compounds salicylic acid, jasmonic acid, methyl salicylate, and methyl jasmonate were determined by GC-MS. The results showed that the level of salicylic acid, jasmonic acid, methyl salicylate, and methyl jasmonate increased remarkably in U. pumila once infected by T. akinire Sasaki, but the maximums of these four compounds occurred at different times. Salicylic acid level reached the highest at the early stage, and jasmonic acid level went to the maximum in the middle stage; by contrast, change of content of methyl salicylate and methyl jasmonate was the quite opposite.

  9. Methanol Oxidation on Pt3Sn(111) for Direct Methanol Fuel Cells: Methanol Decomposition.

    Science.gov (United States)

    Lu, Xiaoqing; Deng, Zhigang; Guo, Chen; Wang, Weili; Wei, Shuxian; Ng, Siu-Pang; Chen, Xiangfeng; Ding, Ning; Guo, Wenyue; Wu, Chi-Man Lawrence

    2016-05-18

    PtSn alloy, which is a potential material for use in direct methanol fuel cells, can efficiently promote methanol oxidation and alleviate the CO poisoning problem. Herein, methanol decomposition on Pt3Sn(111) was systematically investigated using periodic density functional theory and microkinetic modeling. The geometries and energies of all of the involved species were analyzed, and the decomposition network was mapped out to elaborate the reaction mechanisms. Our results indicated that methanol and formaldehyde were weakly adsorbed, and the other derivatives (CHxOHy, x = 1-3, y = 0-1) were strongly adsorbed and preferred decomposition rather than desorption on Pt3Sn(111). The competitive methanol decomposition started with the initial O-H bond scission followed by successive C-H bond scissions, (i.e., CH3OH → CH3O → CH2O → CHO → CO). The Brønsted-Evans-Polanyi relations and energy barrier decomposition analyses identified the C-H and O-H bond scissions as being more competitive than the C-O bond scission. Microkinetic modeling confirmed that the vast majority of the intermediates and products from methanol decomposition would escape from the Pt3Sn(111) surface at a relatively low temperature, and the coverage of the CO residue decreased with an increase in the temperature and decrease in partial methanol pressure.

  10. Transformations of lead 1,3-propylenediaminetetraacetate to its MOF products for the selective adsorption of methanol

    Energy Technology Data Exchange (ETDEWEB)

    Dai, Jun-Wei; Li, Xing; Zheng, Jian-Mei; Dong, Xin, E-mail: dxin@xmu.edu.cn; Zhou, Zhao-Hui, E-mail: zhzhou@xmu.edu.cn

    2016-05-15

    Water soluble coordination polymer of potassium lead 1,3-propylenediaminetetraacetate {K_4[Pb_2(1,3-pdta)_2]·6H_2O}{sub n} (1) and its insoluble products {[Pb(1,3-H_2pdta)(H_2O)]·2H_2O}{sub n} (2), {[Pb_2(1,3-pdta)(H_2O)_4]·4H_2O}{sub n} (3) and [Pb{sub 2}(1,3-pdta)(H{sub 2}O){sub 2}]{sub n} (4) were obtained from the direct reactions of lead nitrate with 1,3-propylenediaminetetraacetic acid in different conditions (1,3-H{sub 4}pdta=1,3-propylenediaminetetraacetic acid). The former 1 could be converted to the insoluble products of {[Pb_2(1,3-pdta)(H_2O)_4]·4H_2O}{sub n} (3) and [Pb{sub 2}(1,3-pdta)(H{sub 2}O){sub 2}]{sub n} (4) in weak acidic solution. The complexes have been full characterized by EA, FT-IR, solution and solid state {sup 13}C NMR spectra, thermogravimetric and structural analyses. Interestingly, 3 contains a unique (H{sub 2}O){sub 26} cluster and a 5.2 Å pore after eliminating the guest water molecules, which exhibits reversible adsorption for methanol. This is confirmed by PXRD and solid state {sup 13}C NMR analyses. Nano-confined methanol in microporous structure has been observed based on the large downfield shift of {sup 13}C NMR signal (Δδ 9.72 ppm), attributing to the methyl group in methanol. - Graphical abstract: Water soluble coordination polymer K{sub 4n}[Pb{sub 2}(1,3-pdta){sub 2}]{sub n}·6nH{sub 2}O (1) is converted to its insoluble product [Pb{sub 2}(1,3-pdta)(H{sub 2}O){sub 4}]{sub n}·4nH{sub 2}O (3), which contains a unique (H{sub 2}O){sub 26} cluster and exhibits reversible adsorption for methanol. - Highlights: • Water-soluble coordination polymer was constructed by lead propylenediaminetetraacetate. • Its MOF product has a unique (H{sub 2}O){sub 26} cluster. • The product exhibits reversible adsorption for methanol.

  11. Batch extractive distillation for high purity methanol

    International Nuclear Information System (INIS)

    Zhang Weijiang; Ma Sisi

    2006-01-01

    In this paper, the application in chemical industry and microelectronic industry, market status and the present situation of production of high purity methanol at home and abroad were introduced firstly. Purification of industrial methanol for high purity methanol is feasible in china. Batch extractive distillation is the best separation technique for purification of industrial methanol. Dimethyl sulfoxide was better as an extractant. (authors)

  12. DNA methylation

    DEFF Research Database (Denmark)

    Williams, Kristine; Christensen, Jesper; Helin, Kristian

    2012-01-01

    DNA methylation is involved in key cellular processes, including X-chromosome inactivation, imprinting and transcriptional silencing of specific genes and repetitive elements. DNA methylation patterns are frequently perturbed in human diseases such as imprinting disorders and cancer. The recent...... discovery that the three members of the TET protein family can convert 5-methylcytosine (5mC) into 5-hydroxymethylcytosine (5hmC) has provided a potential mechanism leading to DNA demethylation. Moreover, the demonstration that TET2 is frequently mutated in haematopoietic tumours suggests that the TET...... proteins are important regulators of cellular identity. Here, we review the current knowledge regarding the function of the TET proteins, and discuss various mechanisms by which they contribute to transcriptional control. We propose that the TET proteins have an important role in regulating DNA methylation...

  13. Crystal structure of di?methyl?ammonium hydrogen oxalate hemi(oxalic acid)

    OpenAIRE

    Diallo, Waly; Gueye, Ndongo; Crochet, Aur?lien; Plasseraud, Laurent; Cattey, H?l?ne

    2015-01-01

    Single crystals of the title salt, Me2NH2 +?HC2O4 ??0.5H2C2O4, were isolated as a side product from the reaction involving Me2NH, H2C2O4 and Sn(n-Bu)3Cl in a 1:2 ratio in methanol or by the reaction of the (Me2NH2)2C2O4 salt and Sn(CH3)3Cl in a 2:1 ratio in ethanol. The asymmetric unit comprises a di?methyl?ammonium cation (Me2NH2 +), an hydrogenoxalate anion (HC2O4 ?), and half a mol?ecule of oxalic acid (H2C2O4) situated about an inversion center. From a supra?molecular point of view, the t...

  14. The industrial production of dimethyl carbonate from methanol and carbon dioxide

    NARCIS (Netherlands)

    De Groot, Frank F T; Lammerink, Roy R G J; Heidemann, Casper; Van Der Werff, Michiel P M; Garcia, Taiga Cafiero; Van Der Ham, Louis A G J; Van Den Berg, Henk

    2014-01-01

    This work discusses the design of a dimethyl carbonate (DMC) production plant based on methanol and CO2 as feed materials, which are a cheap and environment-friendly feedstock. DMC is a good alternative for methyl-tert-butyl ether (MTBE) as a fuel oxygenating agent, due to its low toxicity and fast

  15. N-formylation of amines via the aerobic oxidation of methanol over supported gold nanoparticles.

    Science.gov (United States)

    Ishida, Tamao; Haruta, Masatake

    2009-01-01

    Dress code: formyl. Gold nanoparticles supported on NiO catalyze the one-pot N-formylation of amines with methanol and molecular oxygen to produce formamide at a selectivity of 90 %. This process generates methyl formate in situ, followed by reaction with amines.

  16. Radioactive (14C) tracer studies of methanol conversion over a Ni-ZSM-5 zeolite

    International Nuclear Information System (INIS)

    Hwu, F.S.; Hightower, J.W.

    1983-01-01

    Secondary reactions have been identified in the overall conversion of methanol to hydrocarbons over a Ni-ZSM-5 catalyst. The major conclusions are: (1) The alkylation of light olefins with methanol or methyl ether is one pathway for the formation of larger olefins with one more carbon atom. (2) Paraffins are produced primarily by hydrogen transfer to the corresponding olefin. (3) Except for minor cracking reactions, paraffins with no more than 7 carbon atoms, are final stable products; isomerization among paraffin isomers does not take place at 368 0 C. (4) Light olefins, e.g. ethylene, propylene, and butenes, are reactive intermediates for aromatics formation. (5) Aromatic compounds may also be produced by methanol- methyl ether-alkylation of benzene and subsequent alkylated benezenes. 2 figures, 3 tables

  17. A luminescent metal-organic framework for sensing methanol in ethanol solution.

    Science.gov (United States)

    Jin, Zhao; He, Hongming; Zhao, Huanyu; Borjigin, Tsolmon; Sun, Fuxing; Zhang, Daming; Zhu, Guangshan

    2013-10-07

    A new luminescent Zn-MOF has been synthesized under hydrothermal condition using a semi-rigid ligand H3pcoip (4-(2-carboxyphenoxy)isophthalic acid) is reported. The luminescence properties of 1 in methanol, ethanol, and water have been investigated. Interestingly, compound 1 has a unique response to methanol compared to ethanol and water. Moreover, 1 displays a turn-on switching property triggered by methanol solvent molecules and a high sensitivity towards methanol concentration as low as 2 × 10(-7) (V(MeOH)/V(total)) in ethanol solution. The results indicate that the Zn-MOF has potential application as a sensor for detecting methanol in ethanol solution with excellent selectivity and high sensitivity.

  18. Synthesis of biodiesel from soybean oil by coupling catalysis with subcritical methanol

    International Nuclear Information System (INIS)

    Yin Jianzhong; Xiao Min; Wang Aiqin; Xiu Zhilong

    2008-01-01

    Biodiesel synthesis from soybean oil and methanol was investigated under supercritical and subcritical conditions. Under the supercritical conditions, the maximum methyl ester yield exceeded 98% when the molar ratio of methanol to oil was 42:1 and the reaction temperature ranged from 260 deg. C to 350 deg. C. In order to decrease the operational temperature and pressures and to increase the conversion efficiency of methanol, first co-solvent was added to the reaction mixture to improve the reaction process, and then a novel idea was presented in which catalysis and supercritical effect were coupled together. Thus, with 2.5 wt% hexane, temperature of 300 deg. C, methanol to oil ratio of 42, a 85.5% conversion is observed in 30 min, while a 62.2% conversion is observed without hexane in the same condition; with less carbon dioxide, temperature of 300 deg. C, methanol to oil ratio of 42, a 91.6% conversion is observed in 20 min, while a 51.4% conversion is observed without carbon dioxide in the same condition; With only a little amount of potassium hydroxide as the catalyst (KOH/oil = 0.1 wt%), a 98% yield of methyl esters was obtained in 10 min at a reaction temperature of 160 deg. C and the molar ratio (methanol/oil) of 24:1. In contrast, above 1 wt% of catalyst is required in the conventional alkali-catalyzed method; while only 6% yield of methyl ester was obtained at 260 deg. C (corresponding to subcritical conditions) without the catalyst. This result demonstrated that by coupling the catalysis and subcritical operation, the amount of catalyst could be largely reduced and the methanol utilization could be significantly enhanced. Thus, the present method offers some advantages over both the conventional alkali-catalyst method and the expensive supercritical method

  19. Esterification kinetics of free fatty acids with supercritical methanol for biodiesel production

    International Nuclear Information System (INIS)

    Alenezi, R.; Leeke, G.A.; Winterbottom, J.M.; Santos, R.C.D.; Khan, A.R.

    2010-01-01

    Non-catalytic esterification of Free Fatty Acids (FFA) with supercritical methanol was studied under reaction conditions of (250-320 deg. C) at 10 MPa. A detailed experimental programme was implemented to investigate the influence of temperature, stirring rate and the molar ratio of methanol to FFA in the feed in a batch-type reaction vessel. The esterification products of FFA with supercritical methanol are Fatty Acids Methyl Esters (FAME; biodiesel) and water. The yield of FAME was found to increase with an increase in temperature, and with an increase in the molar ratio of methanol to FFA. At >850 rpm the yield of FAME was not affected by stirring rate. The rate constants and energy of activation have been numerically evaluated by solving an ordinary differential equation that describes the reaction kinetics. The proposed kinetic model shows a reversible second order reaction and represents all the experimental data satisfactorily, providing deeper insight into the kinetics of the reaction.

  20. Production of carbon-14 and preparation of some key precursors for labeling organic molecules

    International Nuclear Information System (INIS)

    Moriya, T.; Motoishi, S.

    1992-01-01

    Production of carbon-14 on 50 GBq scale has been performed by neutron irradiation of aluminium nitride target in the JMTR. This nuclide is separated in carbon dioxide form by combustion of the irradiated target at 1100degC with oxygen. The [ 14 C] carbon dioxide liberated thus is trapped in caustic solution and finally recovered as [ 14 C] barium carbonate. Some precursors useful for incorporating carbon-14 into a given organic molecule have been prepared. Precursors such as [1- 14 C] sodium acetate, [ 14 C] methanol and [ 14 C] potassium cyanide are prepared by rather conventional methods involving carbonation of methyl magnesium iodine, reduction of carbon dioxide with lithium aluminium hydride and reduction of carbonate with metallic potassium in the presence of ammonium salt, respectively. A catalytic polymerization of acetylene is used to prepare benzene. (author)

  1. Structure and spectroscopic properties of N,S-coordinating 2-methylsulfanyl-N-[(1H-pyrrol-2-ylmethylidene]aniline methanol monosolvate

    Directory of Open Access Journals (Sweden)

    D. Douglas Richards

    2015-10-01

    Full Text Available The reaction of pyrrole-2-carboxaldehyde and 2-(methylsulfanylaniline in refluxing methanol gave an olive-green residue in which yellow crystals of the title compound, C12H12N2S·CH3OH, were grown from slow evaporation of methanol at 263 K. In the crystal, hydrogen-bonding interactions link the aniline molecule and a nearby methanol solvent molecule. These units are linked by a pair of weak C—H...Omethanol interactions, forming inversion dimers consisting of two main molecules and two solvent molecules.

  2. Molecule nanoweaver

    Science.gov (United States)

    Gerald, II; Rex, E [Brookfield, IL; Klingler, Robert J [Glenview, IL; Rathke, Jerome W [Homer Glen, IL; Diaz, Rocio [Chicago, IL; Vukovic, Lela [Westchester, IL

    2009-03-10

    A method, apparatus, and system for constructing uniform macroscopic films with tailored geometric assemblies of molecules on the nanometer scale. The method, apparatus, and system include providing starting molecules of selected character, applying one or more force fields to the molecules to cause them to order and condense with NMR spectra and images being used to monitor progress in creating the desired geometrical assembly and functionality of molecules that comprise the films.

  3. Thermodynamics of the Sorption of Benzimidazoles on Octadecyl Silica Gel from Water-Methanol Eluents

    Science.gov (United States)

    Shafigulin, R. V.; Bulanova, A. V.

    2018-02-01

    The standard enthalpy and entropy component of transferring benzimidazoles from water-methanol solutions to surfaces of octadecyl silica gel are determined using reversed-phase high-performance liquid chromatography (RP HPLC). The dependences between the enthalpy and polarizability of the molecules of the studied benzimidazoles, the enthalpy and the entropy factor are studied, and the influence of the quantitative composition of the water-methanol solution on the enthalpy are studied.

  4. Preparation of 11C-labelled methanol on alumina column

    International Nuclear Information System (INIS)

    Sarkadi, E.; Kovacs, Z.; Horvath, G.

    1998-01-01

    The [ 11 C]methyl iodide is an important intermedia to synthesize 11 C-labelled radiopharmaceuticals for medical diagnostics in positron emission tomography. Recently a new method has been developed to produce [ 11 C]methanol intermedia. The advantage of this method of radiomethanol preparation is the application of an alumina column at room temperature instead of a complicated cooling unit used with the conventional reaction vessel. The yield and purity of radiomethanol was the same as in the previous methods. (K.A.)

  5. Methanol adsorption on Pt(111)

    International Nuclear Information System (INIS)

    Melo, A.V.; Chottiner, G.S.; Hoffman, R.W.; O'Grady, W.E.

    1984-12-01

    High resolution electron energy loss spectroscopy has been used to study the decomposition of methanol on a Pt(111) surface. Several intermediate states in the decomposition are identified by quenching the sample when reactions occur. At 100 K a set of peaks at 800, 1040, 1350, and 2890 cm -1 indicates the presence of a multilayer molecularly adsorbed methanol. As the sample is warmed to 130 K peaks develop at 1700 and 2780 cm -1 , suggesting the formation of formaldehyde on the surface. With further heating, peaks grow at 1820 and 2560 cm -1 due to the formation of a formyl species during the decomposition of methanol over Pt(111). Further heating leads to the final conversion of the surface species to adsorbed CO and carbonaceous residues

  6. Studies of the role of water in the electrocatalysis of methanol oxidation

    Science.gov (United States)

    Lin, Andrew S.; Kowalak, Albert D.; O'Grady, William E.

    The oxidation of methanol has been carried out on electrodes prepared by evaporating Pt directly onto a Nafion membrane and then introducing the methanol either in the gas-fed mode or directly from the electrolyte in the electrolyte-fed mode. It was found that the oxidation carried out using a gas-fed electrode was shifted 100-150 mV more cathodic than the electrolyte-fed electrode. A similar set of experiments was carried out using hydrophobic gas-diffusion electrodes and similar results were obtained. These results suggest that the mechanism of the methanol oxidation reaction depends on the nature of the surroundings and the orientation of the methanol with respect to the electrode surface. In the electrolyte-fed configuration the methanol will be in a hydrogen-bonded water cluster allowing the carbon end of the molecule to more readily approach the catalyst surface. While in the gas-fed configuration the methanol will interact with the water or oxidic surface through the hydroxyl end of the molecule. Clearly, these two possible mechanisms will lead to different products and one may enhance the rate of the direct oxidation of methanol as observed in this work.

  7. Theoretical and experimental researches of methanol clusters in low - temperature matrices

    International Nuclear Information System (INIS)

    Chernolevs'ka, Je.A.; Doroshenko, Yi.Yu.; Pogorelov, V.Je.; Vas'kyivs'kij, Je.V.; Shablyinskas, V.; Balyavyichus, V.; Yasajev, O.

    2015-01-01

    Molecular vibrational spectra of methanol in argon and nitrogen matrices have been studied. Since methanol belongs to a class of substances with hydrogen bonds, there is a possibility of forming molecular associations and clusters with various numbers of molecules. IR spectra of methanol in Ar and N 2 matrices experimentally obtained in the temperature range from 10 to 50 K are compared with the results of computer simulation using the ab initio Car-Parrinello molecular dynamics (CPMD) method. The results obtained for small clusters in model calculations demonstrate a good correlation with experimental data for various matrices at the corresponding temperatures

  8. Simultaneous Determination of Salicylic Acid, Jasmonic Acid, Methyl Salicylate, and Methyl Jasmonate from Ulmus pumila Leaves by GC-MS

    OpenAIRE

    Huang, Zhi-hong; Wang, Zhi-li; Shi, Bao-lin; Wei, Dong; Chen, Jian-xin; Wang, Su-li; Gao, Bao-jia

    2015-01-01

    Salicylic acid, jasmonic acid, methyl salicylate, and methyl jasmonate are important phytohormones and defensive signaling compounds, so it is of great importance to determine their levels rapidly and accurately. The study uses Ulmus pumila leaves infected by Tetraneura akinire Sasaki at different stages as materials; after extraction with 80% methanol and ethyl acetate and purification with primary secondary amine (PSA) and graphitized carbon blacks (GCB), the contents of signal compounds sa...

  9. Radioisotope tracer study of co-reactions of methanol with ethanol using 11C-labelled methanol over alumina and H-ZSM-5

    International Nuclear Information System (INIS)

    Sarkadi-Priboczki, E.; Kovacs, Z.; Kumar, N.; Salmi, T.; Murzin, D.Yu

    2005-01-01

    Complete text of publication follows. The transformation of methanol has been investigated over alumina and H-ZSM-5 in our previous experiments by 11 C-radioisotope tracing. The main product in methanol conversion over alumina was dimethyl ether due to Lewis acid sites while over H-ZSM-5 mostly hydrocarbons were formed due to both Lewis and Brrnsted acid sites. With increasing temperature first the ethanol was dehydrated to diethyl ether followed by ethene formation over alumina and H-ZSM-5. In this work, 11 C-labelled methanol as radioisotope tracer was added to non-radioactive methanol for investigation of co-reaction with non-radioactive ethanol over alumina and H- ZSM-5. The 11 C-methanol tracer was used to distinguish the methanol derivates and co-reaction derivates of methanol with ethanol against non-radioactive ethanol derivates. The yield of methyl ethyl ether as mixed ether and the influence of ethanol for the yields of C 1 -C 5 hydrocarbons were studied as a function of reaction temperature and contact time. The 11 C-methanol was formed by a radiochemical process from 11 CO 2 produced at cyclotron. The mixture of methanol and ethanol was added to 11 C-methanol and injected to the catalyst. The catalysis was carried out in a glass tube fixed-bed reactor after its pretreatment. The derivates were analyzed by radio-gas chromatography (gas chromatograph with thermal conductivity detector coupled on-line with a radioactivity detector). The comparative analysis of yields of radioactive and non-radioactive products as a function of reaction temperature gives information about the reaction pathways. Over alumina the yields of dimethyl ether and methyl ethyl ether (co-product) as radioactive and diethyl ether with ethene as non-radioactive main products were monitored as a function of reaction temperature and reaction time in the range of 513-593 K. Alongside ethanol derivates the ethene turns into main product in contrast with methyl ethyl ether and diethyl

  10. A Review of Study on Thermal Energy Transport System by Synthesis and Decomposition Reactions of Methanol

    Science.gov (United States)

    Liu, Qiusheng; Yabe, Akira; Kajiyama, Shiro; Fukuda, Katsuya

    The study on thermal energy transport system by synthesis and decomposition reactions of methanol was reviewed. To promote energy conservation and global environment protection, a two-step liquid-phase methanol synthesis process, which starts with carbonylation of methanol to methyl formate, then followed by the hydrogenolysis of the formate, was studied to recover wasted or unused discharged heat from industrial sources for the thermal energy demands of residential and commercial areas by chemical reactions. The research and development of the system were focused on the following three points. (1) Development of low-temperature decomposition and synthetic catalysts, (2) Development of liquid phase reactor (heat exchanger accompanying chemical reaction), (3) Simulation of the energy transport efficiency of entire system which contains heat recovery and supply sections. As the result of the development of catalyst, promising catalysts which agree with the development purposes for the methyl formate decomposition reaction and the synthetic reaction are being developed though some studies remain for the methanol decomposition and synthetic reactions. In the fundamental development of liquid phase reactor, the solubilities of CO and H2 gases in methanol and methyl formate were measured by the method of total pressure decrease due to absorption under pressures up to 1500kPa and temperatures up to 140°C. The diffusivity of CO gas in methanol was determined by measuring the diameter and solution time of single CO bubbles in methanol. The chemical reaction rate of methanol synthesis by hydrogenolysis of methyl formate was measured using a plate-type of Raney copper catalyst in a reactor with rectangular channel and in an autoclave reactor. The reaction characteristics were investigated by carrying out the experiments at various temperatures, flow rates and at various catalyst development conditions. We focused on the effect of Raney copper catalyst thickness on the liquid

  11. An experimental and theoretical study of reaction steps relevant to the methanol-to-hydrocarbons reaction

    Energy Technology Data Exchange (ETDEWEB)

    Svelle, Stian

    2004-07-01

    The primary objective of the present work is to obtain new insight into the reaction mechanism of the zeolite catalyzed methanol-to-hydrocarbons (MTH) reaction. It was decided to use both experimental and computational techniques to reach this goal. An investigation of the n-butene + methanol system was therefore initiated. Over time, it became apparent that it was possible to determine the rate for the methylation of n-butene by methanol. The ethene and propene systems were therefore reexamined in order to collect kinetic information also for those cases. With the development of user-friendly quantum chemistry programs such as the Gaussian suite of programs, the possibility of applying quantum chemical methods to many types of problems has become readily available even for non-experts. When performing mechanistic studies, there is quite often a considerable synergy effect when combining experimental and computational approaches. The methylation reactions mentioned above turned out to be an issue well suited for quantum chemical investigations. The incentive for examining the halomethane reactivity was the clear analogy to the MTH reaction system. Alkene dimerization was also a reaction readily examined with quantum chemistry. As discussed in the introduction of this thesis, polymethylbenzenes, or their cationic counterparts, are suspected to be key intermediates in the MTH reaction. It was therefore decided to investigate the intrinsic reactivity of these species in the gas-phase by employing sophisticated mass spectrometric (MS) techniques in collaboration with the MS group at the Department of Chemistry, University of Oslo The data thus obtained will also be compared with results from an ongoing computational study on gas phase polymethylbenzenium reactivity. 6 papers presenting various studies are included. The titles are: 1) A Theoretical Investigation of the Methylation of Alkenes with Methanol over Acidic Zeolites. 2) A Theoretical Investigation of the

  12. An experimental and theoretical study of reaction steps relevant to the methanol-to-hydrocarbons reaction

    Energy Technology Data Exchange (ETDEWEB)

    Svelle, Stian

    2004-07-01

    The primary objective of the present work is to obtain new insight into the reaction mechanism of the zeolite catalyzed methanol-to-hydrocarbons (MTH) reaction. It was decided to use both experimental and computational techniques to reach this goal. An investigation of the n-butene + methanol system was therefore initiated. Over time, it became apparent that it was possible to determine the rate for the methylation of n-butene by methanol. The ethene and propene systems were therefore reexamined in order to collect kinetic information also for those cases. With the development of user-friendly quantum chemistry programs such as the Gaussian suite of programs, the possibility of applying quantum chemical methods to many types of problems has become readily available even for non-experts. When performing mechanistic studies, there is quite often a considerable synergy effect when combining experimental and computational approaches. The methylation reactions mentioned above turned out to be an issue well suited for quantum chemical investigations. The incentive for examining the halomethane reactivity was the clear analogy to the MTH reaction system. Alkene dimerization was also a reaction readily examined with quantum chemistry. As discussed in the introduction of this thesis, polymethylbenzenes, or their cationic counterparts, are suspected to be key intermediates in the MTH reaction. It was therefore decided to investigate the intrinsic reactivity of these species in the gas-phase by employing sophisticated mass spectrometric (MS) techniques in collaboration with the MS group at the Department of Chemistry, University of Oslo The data thus obtained will also be compared with results from an ongoing computational study on gas phase polymethylbenzenium reactivity. 6 papers presenting various studies are included. The titles are: 1) A Theoretical Investigation of the Methylation of Alkenes with Methanol over Acidic Zeolites. 2) A Theoretical Investigation of the

  13. New functionalized IRMOF-10 with strong affinity for methanol: A simulation study

    Science.gov (United States)

    Liu, Zewei; Zhang, Kai; Wu, Ying; Xi, Hongxia

    2018-05-01

    Grand Canonical Monte Carlo (GCMC) method simulation combined with density functional theory (DFT) calculation were used to investigate the methanol adsorption in IRMOF-10, with nitrogen and metal-doping functionalizations in order to understand the underlying performance of MOFs in methanol adsorption. New doped IRMOF-10s (M-2N-IRMOF-10, M = Be, Mg, Ca, Sr, Ba) were theoretically constructed by binding nitrogen atoms of organic linkers in N-doping IRMOF-10 (2N-IRMOF-10) with various metal atoms. 2N-IRMOF-10 shows only a little higher methanol capacity in the measured pressure range. However, M-2N-IRMOF-10s (especially Be-2N-IRMOF-10) demonstrate much higher methanol capacity due to the stronger interaction between the induced Be atoms and methanol molecules. Furthermore, the obtained results can be attributed to the new adsorption sites created by metal-doping, as revealed by the more exothermic binding energies (BEs) on Be-sites (-160.8 kJ/mol) than Zn-sites (-19.4 kJ/mol). According to the simulation results, it can be concluded that functionalized IRMOF-10 are capable of enhancing the adsorption capacity of methanol at pressure from 0 to 12 kPa at 298 K. This study provides a new functionalized method to effectively enhance methanol adsorption capacity of MOFs, which might extend the application of MOFs on methanol adsorption in the near future.

  14. Coadsorbed species explain the mechanism of methanol temperature-desorption on CeO2(111)

    Energy Technology Data Exchange (ETDEWEB)

    Sutton, Jonathan E. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Overbury, Steven H. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Beste, Ariana [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2016-03-24

    Here, we have used density functional theory calculations to investigate the temperature-programmed desorption (TPD) of methanol from CeO2(111). For the first time, low-temperature water formation and high-temperature methanol desorption are explained by our calculations. High coverages of methanol, which correspond to experimental conditions, are required to properly describe these features of the TPD spectrum. We identify a mechanism for the low-temperature formation of water involving the dissociation of two methanol molecules on the same surface O atom and filling of the resulting surface vacancy with one of the methoxy products. After water desorption, methoxy groups are stabilized on the surface and react at higher temperatures to form methanol and formaldehyde by a disproportionation mechanism. Alternatively, the stabilized methoxy groups undergo sequential C–H scission reactions to produce formaldehyde. Calculated energy requirements and methanol/formaldehyde selectivity agree with the experimental data.

  15. Towards a methanol economy based on homogeneous catalysis: methanol to H2 and CO2 to methanol

    DEFF Research Database (Denmark)

    Alberico, E.; Nielsen, Martin

    2015-01-01

    The possibility to implement both the exhaustive dehydrogenation of aqueous methanol to hydrogen and CO2 and the reverse reaction, the hydrogenation of CO2 to methanol and water, may pave the way to a methanol based economy as part of a promising renewable energy system. Recently, homogeneous...

  16. New catalysts for miniaturized methanol fuel cells

    DEFF Research Database (Denmark)

    Pedersen, Christoffer Mølleskov

    The methanol fuel cell is an interesting energy technology, capable of converting the chemical energy of methanol directly into electricity. The technology is specifically attractive for small mobile applications such as laptops, smartphones, tablets etc. since it offers almost instantaneously...

  17. The fate of methanol in anaerobic bioreactors

    NARCIS (Netherlands)

    Florencio, L.

    1994-01-01

    Methanol is an important component of certain industrial wastewaters. In anaerobic environments, methanol can be utilized by methanogens and acetogens. In wastewater treatment plants, the conversion of methanol into methane is preferred because this conversion is responsible for chemical

  18. Methanol decomposition and oxidation on Ir(111)

    NARCIS (Netherlands)

    Weststrate, C.J.; Ludwig, W.; Bakker, J.W.; Gluhoi, A.C.; Nieuwenhuys, B.E.

    2007-01-01

    The adsorption, decompn., and oxidn. of methanol (CH3OH) has been studied on Ir(111) using temp.-programmed desorption and high-energy resoln. fast XPS. Mol. methanol desorption from a methanol-satd. surface at low temp. shows three desorption peaks, around 150 K (alpha ), around 170 K (beta 1), and

  19. Synthesis of 11C labelled methyl esters: transesterification of enol esters versus BF3 catalysed esterification-a comparative study

    International Nuclear Information System (INIS)

    Ackermann, Uwe; Blanc, Paul; Falzon, Cheryl L.; Issa, William; White, Jonathan; Tochon-Danguy, Henri J.; Sachinidis, John I.; Scott, Andrew M.

    2006-01-01

    C-11 labelled methyl esters have been synthesized via the transesterification of enol esters in the presence of C-11 methanol and 1,3 dichlorodibutylstannoxane as catalyst. This method leaves functional groups intact and allows access to a wider variety of C-11 labelled methyl esters compared to the BF 3 catalysed ester formation, which uses carboxylic acids and C-11 methanol as starting materials

  20. Drug Leads Agents from Methanol Extract of Nigerian Bee (Apis mellifera Propolis

    Directory of Open Access Journals (Sweden)

    Bashir Lawal

    2016-03-01

    Full Text Available ABSTRACT Background: Propolis is a Bee (Apis mellifera product of plant origin with varied chemical composition depending on the ecology of the botanical origin. It has been reported in literatures to possess various therapeutic effects both traditionally, clinical trial and animal study. Objectives In the present study bioactive principle in methanol extract of Nigerian bee (Apis mellifera propolis was determined GC-MS study. Methods The methanol extract of Nigerian bee (Apis mellifera propolis was characterized for its chemical composition by preliminary phytochemicals and GC–MS using standard procedures and methods. Results: Phytochemical screening revealed the presence of flavonoids, saponins, alkaloids, tannins, cardiac glycosides, anthraquinones phlobatannins and steroids while GC–MS chromatogram revealed nineteen peaks representing sixty (60 different chemical compounds. The first compounds identified with less retention time (13.33s were Methyl tetradecanoate, Tridecanoic acid, methyl ester, Decanoic acid, methyl ester while Squalene, All-trans-Squalene, 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, (E,E- and Farnesol isomer a took longest retention time (23.647s to identify. Methyl 14-methylpentadecanoate, Hexadecanoic acid methyl ester, Methyl isoheptadecanoateand Methyl tridecanoate were the most concentrated constituent as revealed by there peak height (26.01% while eicosanoic acid was the least concentrated (Peak height 0.81% constituent of Nigerian bee propolis. Conclusion: The presence of these chemical principles is an indication that methanol extract of Nigeria bee propolis, if properly screened could yield a drug of pharmaceutical importance [J Complement Med Res 2016; 5(1.000: 43-48

  1. Spectroscopic and Quantum Mechanical Calculation Study of the Effect of Isotopic Substitution on NIR Spectra of Methanol.

    Science.gov (United States)

    Grabska, Justyna; Czarnecki, Mirosław A; Beć, Krzysztof B; Ozaki, Yukihiro

    2017-10-19

    In this work, we studied methanol and its deuterated derivatives (CH 3 OH, CH 3 OD, CD 3 OH, CD 3 OD) by NIR spectroscopy and anharmonic quantum chemical calculations. Vibrational bands corresponding to up to three quanta transitions (first and second overtones, binary and ternary combination modes) were predicted by the use of the VPT2 route. The accuracy of prediction of NIR modes was evaluated through density functional theory (DFT) with selected density functionals and basis sets. On the basis of the theoretical NIR spectra, detailed band assignments for all studied molecules were proposed. It was found that the pattern of bands in NIR spectra of deuterated methanols can be used for identification of isotopically equalized forms. Calculations of NIR spectra of all possible forms of CXXXOX (X = H, D) molecules demonstrated that the isotopic contamination can be identified due to a coexistence of bands specific to OH and OD groups. Also, bands from partially deuterated methyl groups can be distinguished in NIR spectra. Since the VPT2 framework is known to be sensitive to inaccuracy in the case of highly anharmonic modes, we obtained an independent insight by numerical solving of the time-independent Schrödinger equation corresponding to the O-X stretching mode scanned within -0.4 to 2.0 Å over a dense grid of 0.005 Å. This way the energies of vibrational levels of the CX1X2X3OX4 (X = H, D) isotopomers and the corresponding transition frequencies were obtained with high accuracy (<0.1 cm -1 ). The change in normal coordinate influences the reduced mass of the oscillator and thus its frequency. Our results lead to a conclusion that the effect of deuterization of the methyl group introduces a very specific and consistent frequency shift of the first overtone of the O-X stretching mode depending on the substitution of X1, X2, or X3 positions (<2 cm -1 ). However, the pattern of this shift is not reproduced accurately and is also largely overestimated by VPT2

  2. Line parameters of methanol (CH3OH) at 10 microns

    Science.gov (United States)

    Lees, R. M.; Xu, L.-H.; Wang, P.; Brown, L. R.; Kleiner, I.; Johns, J. W. C.

    2003-05-01

    Laboratory spectra of methanol have been measured at high resolution and analyzed to provide spectroscopic information required for astrophysics and solar system studies. Line positions and quantum assignments have been obtained using spectra recorded at 0.002 cm-1 resolution using a modified Bomem DA3,002 spectrometer. Line intensities have been retrieved using laboratory scans from the McMath-Pierce Fourier-transform spectrometer located at the National Solar Observatory. The 10 micron region methanol absorption arises mainly from the fundamental CO-stretch mode (nu8) at 1033 cm-1, along with occasional transitions perturbed in the region by several nearby interacting states of the methyl rock (nu7), methyl bends (nu5, nu10, nu4) and the OH-bending (nu6) in combination with the torsion (nu12). Overall, the nu8 CO-stretch mode follows the traditional torsion-rotational pattern. We modeled the line positions and intensities for the CO-stretch mode with the one-dimensional torsional Hamiltonian and produced a HITRAN line list for cometary studies. The research described in this paper was carried out by the Jet Propulsion Laboratory, California Institute of Technology, under contract with the National Aeronautics and Space Administration. RML and LHXu wish to acknowledge financial support from the Natural Sciences and Engineering Research Council of Canada. IK would like to thank the French Programme National de Planétologie (PNP) for funding this research.

  3. Long range order and hydrogen bonding in liquid methanol: A Monte Carlo simulation

    Energy Technology Data Exchange (ETDEWEB)

    Shilov, I.Y.; Rode, B.M. [Department of Theoretical Chemistry, Institute of General, Inorganic and Theoretical Chemistry, University of Innsbruck, Innrain 52a, A-6020 Innsbruck (Austria); Durov, V.A. [Department of Physical Chemistry, Faculty of Chemistry, Lomonosov Moscow State University, Moscow (Russian Federation)

    1999-02-01

    A Monte Carlo simulation of liquid methanol was performed in NVT ensemble at 298 K using a cubic simulation box containing 500 molecules. Long-range correlations in the liquid are discussed on the basis of site-site radial distribution functions. Hydrogen bonding and topological structure of the methanol aggregates were evaluated in detail, namely the number of linked molecules, formation of branches and cyclic structures. The necessity of larger simulation boxes for a full structural description and thermodynamic characterization of hydrogen-bonded liquids is clearly established by the results. (Copyright (c) 1999 Elsevier Science B.V., Amsterdam. All rights reserved.)

  4. Molecule Matters

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 14; Issue 4. Molecule Matters – van der Waals Molecules - History and Some Perspectives on Intermolecular Forces. E Arunan. Feature Article Volume 14 Issue 4 April 2009 pp 346-356 ...

  5. Experimental study on methanol recovery through flashing vaporation in continuous production of biodiesel via supercritical methanol

    International Nuclear Information System (INIS)

    Wang Cunwen; Chen Wen; Wang Weiguo; Wu Yuanxin; Chi Ruan; Tang Zhengjiao

    2011-01-01

    To improve the oil conversion, high methanol/oil molar ratio is required in the continuous production of biodiesel via supercritical methanol transesterification in tubular reactor. And thus the subsequent excess methanol recovery needs high energy consumption. Based on the feature of high temperature and high pressure in supercritical methanol transesterification, excess methanol recovery in reaction system by flashing vaporation is conducted and the effect of reaction temperature, reaction pressure and flashing pressure on methanol recovery and methanol concentration in gas phase is discussed in detail in this article. Results show that at the reaction pressure of 9-15 MPa and the reaction temperature of 240-300 o C, flashing pressure has significant influence on methanol recovery and methanol content in gas phase, which can be effectively improved by reducing flashing pressure. At the same time, reaction temperature and reaction pressure also have an important effect on methanol recovery and methanol content in gas phase. At volume flow of biodiesel and methanol 1:2, tubular reactor pressure 15 MPa, tubular reactor temperature 300 o C and the flashing pressure 0.4 MPa, methanol recovery is more than 85% and methanol concentration of gas phase (mass fraction) is close to 99% after adiabatic braising; therefore, the condensate liquid of gas phase can be injected directly into methanol feedstock tank to be recycled. Research abstracts: Biodiesel is an important alternative energy, and supercritical methanol transesterification is a new and green technology to prepare biodiesel with some obvious advantages. But it also exists some problems: high reaction temperature, high reaction pressure and large molar ratio of methanol/oil will cause large energy consumption which restricts supercritical methanol for the industrial application of biodiesel. So a set of tubular reactor-coupled flashing apparatus is established for continuous preparing biodiesel in supercritical

  6. Crystal Structure of the N-Benzyloxycarbonyl-alanyl-phenylalanyl-methyl Ester: The Importance of the H-Bonding Pattern

    Directory of Open Access Journals (Sweden)

    Ignacio Alfonso

    2011-08-01

    Full Text Available Large crystals of the methyl ester of the N-a-benzyloxycarbonyl protected Ala-Phe dipeptide (Z-AF-OMe were obtained after the very slow evaporation of a solution of the corresponding carboxylic acid (Z-AF-OH in methanol containing an excess of HCl. The structure was confirmed by single crystal X-ray diffraction data. It crystallizes in the orthorhombic space group P212121 with unit cell dimensions a = 5.0655(6 Å, b = 8.4614(8 Å, c = 46.856(5 Å, V = 2008.3(4 Å3, Z = 4. In the crystal, the molecules form hydrogen bonded chains running along the a axis of the unit cell. Other secondary interactions are also discussed.

  7. Crystal structure of [bis(2,6-diisopropylphenyl phosphato-κO]tris(methanol-κOlithium methanol monosolvate

    Directory of Open Access Journals (Sweden)

    Mikhail E. Minyaev

    2015-05-01

    Full Text Available Crystals of the title compound, [Li{OOP(O-2,6-iPr2C6H32}(CH3OH3]·CH3OH or [Li(C24H34O4P(CH3OH3]·CH3OH, have been formed in the reaction between HOOP(O-2,6-iPr2C6H32 and LiOH in methanol. The title compound is of interest as it represents the first reported crystal structure of the family of lithium phosphate diesters. The {Li(CH3OH3[O2P(O-iPr2C6H32]} unit displays the Li atom in a slightly distorted tetrahedral coordination environment and exhibits one intramolecular O—H...O hydrogen bond between a coordinating methanol molecule and the terminal non-coordinating O atom of the phosphate group. The unit is connected with two non-coordinating methanol molecules through two intermolecular O—H...O hydrogen bonds, and with a neighbouring unit through two other O—H...O interactions. These intermolecular hydrogen bonds lead to the formation of infinite chains along [100]. There are no significant interactions between the chains.

  8. Hydrothermal oxidation of an epoxy resin through the study of two model molecules: N-methyl-acetamide and N,N-di[1(phenoxy)2-hydroxy propyl-3] propyl-amine; Oxydation hydrothermale d'une resine epoxyde au travers de l'etude de deux molecules modeles: le N-methylacetamide et la N,N-di[1-(phenoxy) 2-hydroxy propyl-3] propylamine

    Energy Technology Data Exchange (ETDEWEB)

    Moutonnet-Fromonteil, C. [CEA/Cadarache, Dept. d' Etudes des Combustibles (DEC), 13 - Saint-Paul-lez-Durance (France)]|[Bordeaux-1 Univ., 33 (France)

    2000-07-01

    The study consists in choosing and developing a technology to realize damage experiments of an epoxy resin which is used as coating of embedded nuclear samples. Hydrothermal oxidation is the chosen method. We first identified the chemical composition of the epoxy resin. Then we studied hydrolysis and oxidation of a molecule which contains a function of the epoxy network: N-methyl-acetamide. The comparison between our results and those already existing allowed to validate this degradation method. In a second part, we studied a model molecule of the polymer network: N, N-di[1(phenoxy)2-hydroxy propyl-3] propyl-amine. The hydrolysis temperatures are relatively high: the compound is totally destroyed at 300 deg C. Its oxidation leads to the formation of acetic acid from 220 deg C. In the third study, we determined the best experimental conditions to destroy the epoxy resin. Experiments were performed at different temperatures between 200 deg C and 410 deg C. The degradation rates are classically defined by amounts of constituents in liquid and gaseous phases. (author)

  9. The methanol industry's missed opportunities

    International Nuclear Information System (INIS)

    Stokes, C.A.

    1995-01-01

    Throughout its history the methanol industry has been backward in research and development and in industry cooperation on public image and regulatory matters. It has been extremely reticent as to the virtue of its product for new uses, especially for motor fuel. While this is perhaps understandable looking back, it is inexcusable looking forward. The industry needs to cooperate on a worldwide basis in research and market development, on the one hand, and in image-building and political influence, on the other, staying, of course, within the US and European and other regional antitrust regulations. Unless the industry develops the motor fuel market, and especially the exciting new approach through fuel cell operated EVs, to siphon off incremental capacity and keep plants running at 90% or more of capacity, it will continue to live in a price roller-coaster climate. A few low-cost producers will do reasonably well and the rest will just get along or drop out here and there along the way, as in the past. Having come so far from such a humble beginning, it is a shame not to realize the full potential that is clearly there: a potential to nearly double sales dollars without new plants and to produce from a plentiful resource, at least for the next half-century, all the methanol that can be imagined to be needed. Beyond that the industry can turn to renewable energy--the sun--via biomass growth, to make their product. In so doing, it can perhaps apply methanol as a plant growth stimulant, in effect making the product fully self-sustainable. The world needs to know what methanol can do to provide--economically and reliably--the things upon which a better life rests

  10. Methanol from biomass: A technoeconomic analysis

    International Nuclear Information System (INIS)

    Stevens, D.J.

    1991-01-01

    Biomass-derived methanol offers significant potential as an alternative transportation fuel. Methanol is cleaner burning and has a lower flame temperature than gasoline. These characteristics can result in lower carbon monoxide and nitrogen oxide emissions when methanol is used as a fuel. Methanol produced from biomass offers potential advantages over that from other sources. When produced from biomass which is subsequently regrown, methanol does not contribute net emissions of carbon dioxide, a greenhouse gas, to the atmosphere. The introduction of alternative fuels will likely be driven by a number of political and economic decisions. The ability of biomass to compete with other resources will be determined in part by the economics of the production systems. In this paper, recent technoeconomic analyses of biomass-methanol systems are presented. The results are compared with methanol production from coal and natural gas

  11. Production of FAME by palm oil transesterification via supercritical methanol technology

    International Nuclear Information System (INIS)

    Tan, Kok Tat; Lee, Keat Teong; Mohamed, Abdul Rahman

    2009-01-01

    The present study employed non-catalytic supercritical methanol technology to produce biodiesel from palm oil. The research was carried out in a batch-type tube reactor and heated beyond supercritical temperature and pressure of methanol, which are at 239 o C and 8.1 MPa respectively. The effects of temperature, reaction time and molar ratio of methanol to palm oil on the yield of fatty acid methyl esters (FAME) or biodiesel were investigated. The results obtained showed that non-catalytic supercritical methanol technology only required a mere 20 min reaction time to produce more than 70% yield of FAME. Compared to conventional catalytic methods, which required at least 1 h reaction time to obtain similar yield, supercritical methanol technology has been shown to be superior in terms of time and energy consumption. Apart from the shorter reaction time, it was found that separation and purification of the products were simpler since no catalyst is involved in the process. Hence, formation of side products such as soap in catalytic reactions does not occur in the supercritical methanol method.

  12. Prospects for the development of the South American methanol industry

    International Nuclear Information System (INIS)

    Motilal, R.

    1995-01-01

    The industry entered 1994 with positive market conditions and became increasingly robust as consumers mobilized for the anticipated needs of the second phase of the Clean Air Act. These conditions were reinforced by structural changes taking place in the industry the prime result being the emergence of a single marketer as the dominant force in world trade. In 1995 however, the drawdown of stockpiles of MTBE and methanol accumulated earlier, created conditions of excess as the industry continued to run at nearly full capacity and as opt outs from the reformulated gasoline program dampened the rate of MTBE consumption. The historical forces that attend market cycles on its way up by exerting stickiness upward also contrived to accelerate prices on their way down. Market pricing in the methanol industry, as in other commodities is set largely by the incremental molecules entering the market place. Accordingly, the terms and conditions of the transactions covering traded volumes represent a major influence on market pricing. The major portion of traded volumes are sourced from offshore locations where the domestic market is small in comparison to the production capacities. The South American region is one such strategic offshore location on which increasing emphasis must be placed, if any realistic prognosis of the future direction of the industry is to be made. It is in this context, that this paper attempts to review the underlying factors which led to the rapid growth of the major methanol producing countries in South America and to emphasize the potential for continued development of this region and its strategic importance to the global methanol industry both as a major source of production and as a significant force in the world methanol trade

  13. 5-Methyl-2-phenyl-2H-pyrazol-3-ol

    Directory of Open Access Journals (Sweden)

    Feng Zhi

    2008-10-01

    Full Text Available The title compound, C10H10N2O, known as Edaravone (MCI-186, was crystallized from methanol. The two independent molecules in the asymmetric unit are linked through an O—H...O hydrogen bond. One molecule adopts a ketone form, while the other adopts an enol form. In the crystal structure, molecules are linked through intermolecular N—H...O hydrogen bonds, forming chains running along the b axis.

  14. Atkins' molecules

    CERN Document Server

    Atkins, Peters

    2003-01-01

    Originally published in 2003, this is the second edition of a title that was called 'the most beautiful chemistry book ever written'. In it, we see the molecules responsible for the experiences of our everyday life - including fabrics, drugs, plastics, explosives, detergents, fragrances, tastes, and sex. With engaging prose Peter Atkins gives a non-technical account of an incredible range of aspects of the world around us, showing unexpected connections, and giving an insight into how this amazing world can be understood in terms of the atoms and molecules from which it is built. The second edition includes dozens of extra molecules, graphical presentation, and an even more accessible and enthralling account of the molecules themselves.

  15. Interstellar Molecules

    Science.gov (United States)

    Solomon, Philip M.

    1973-01-01

    Radioastronomy reveals that clouds between the stars, once believed to consist of simple atoms, contain molecules as complex as seven atoms and may be the most massive objects in our Galaxy. (Author/DF)

  16. Purification, crystallization and preliminary X-ray crystallographic analysis of a methanol dehydrogenase from the marine bacterium Methylophaga aminisulfidivorans MPT

    International Nuclear Information System (INIS)

    Choi, Jin Myung; Kim, Hee Gon; Kim, Jeong-Sun; Youn, Hyung-Seop; Eom, Soo Hyun; Yu, Sung-Lim; Kim, Si Wouk; Lee, Sung Haeng

    2011-01-01

    In order to obtain molecular insights into the methanol-oxidizing system of M. aminisulfidivorans, a native heterotetrameric α 2 β 2 methanol dehydrogenase complex was directly purified from M. aminisulfidivorans MP T grown in the presence of methanol and crystallized. Methylophaga aminisulfidivorans MP T is a marine methylotrophic bacterium that utilizes C 1 compounds such as methanol as a carbon and energy source. The released electron from oxidation flows through a methanol-oxidizing system (MOX) consisting of a series of electron-transfer proteins encoded by the mox operon. One of the key enzymes in the pathway is methanol dehydrogenase (MDH), which contains the prosthetic group pyrroloquinoline quinone (PQQ) and converts methanol to formaldehyde in the periplasm by transferring two electrons from the oxidation of one methanol molecule to the electron acceptor cytochrome c L . In order to obtain molecular insights into the oxidation mechanism, a native heterotetrameric α 2 β 2 MDH complex was directly purified from M. aminisulfidivorans MP T grown in the presence of methanol and crystallized. The crystal diffracted to 1.7 Å resolution and belonged to the monoclinic space group P2 1 (unit-cell parameters a = 63.9, b = 109.5, c = 95.6 Å, β = 100.5°). The asymmetric unit of the crystal contained one heterotetrameric complex, with a calculated Matthews coefficient of 2.24 Å 3 Da −1 and a solvent content of 45.0%

  17. N-methyl-D-aspartate receptor independent changes in expression of polysialic acid-neural cell adhesion molecule despite blockade of homosynaptic long-term potentiation and heterosynaptic long-term depression in the awake freely behaving rat dentate gyrus

    Czech Academy of Sciences Publication Activity Database

    Rodríguez Arellano, Jose Julio; Dallerac, G. M.; Tabuchi, M.; Davies, H.A.; Colyer, F. M.; Stewart, M.G.; Doyere, V.

    2008-01-01

    Roč. 4, 03 (2008), s. 169-178 ISSN 1740-925X Institutional research plan: CEZ:AV0Z50390703 Keywords : Adhesion molecules * hippocampus * synaptic plasticity Subject RIV: FH - Neurology Impact factor: 0.937, year: 2008

  18. Phase equilibrium data and thermodynamic modeling of the system (CO2 + biodiesel + methanol) at high pressures

    International Nuclear Information System (INIS)

    Pinto, Leandro F.; Segalen da Silva, Diogo Italo; Rosa da Silva, Fabiano; Ramos, Luiz P.; Ndiaye, Papa M.; Corazza, Marcos L.

    2012-01-01

    Highlights: → We measured phase behavior for the system involving {CO 2 + biodiesel + methanol}. → The saturation pressures were obtained using a variable-volume view cell. → The experimental data were modeled using PR-vdW2 and PR-WS equations of state. - Abstract: The main objective of this work was to investigate the high pressure phase behavior of the binary systems {CO 2 (1) + methanol(2)} and {CO 2 (1) + soybean methyl esters (biodiesel)(2)} and the ternary system {CO 2 (1) + biodiesel(2) + methanol(3)} were determined. Biodiesel was produced from soybean oil, purified, characterized and used in this work. The static synthetic method, using a variable-volume view cell, was employed to obtain the experimental data in the temperature range of (303.15 to 343.15) K and pressures up to 21 MPa. The mole fractions of carbon dioxide were varied according to the systems as follows: (0.2383 to 0.8666) for the binary system {CO 2 (1) + methanol(2)}; (0.4201 to 0.9931) for the binary system {CO 2 (1) + biodiesel(2)}; (0.4864 to 0.9767) for the ternary system {CO 2 (1) + biodiesel(2) + methanol(3)} with a biodiesel to methanol molar ratio of (1:3); and (0.3732 to 0.9630) for the system {CO 2 + biodiesel + methanol} with a biodiesel to methanol molar ratio of (8:1). For these systems, (vapor + liquid), (liquid + liquid), (vapor + liquid + liquid) transitions were observed. The phase equilibrium data obtained for the systems were modeled using the Peng-Robinson equation of state with the classical van der Waals (PR-vdW2) and Wong-Sandler (PR-WS) mixing rules. Both thermodynamic models were able to satisfactorily correlate the phase behavior of the systems investigated and the PR-WS presented the best performance.

  19. Influence of polyvinylpyrrolidone on the interaction between water and methanol

    Directory of Open Access Journals (Sweden)

    M. Guettari

    2013-09-01

    Full Text Available The present work aims to determine the influence of a dissolved polymer, polyvinylpyrrolidone, on the interaction between water and methanol. First, the dynamic viscosities were measured for polymer solutions by a rotational concentric cylinder at 25 ºC and for the polymer concentration range from 0.1 to 0.6 g/dl. The results show a polynomial dependence of the viscosity on polymer concentration. On the hypothesis of a quasi-binary system, a pseudo Grumberg-Nissan constant, d'p, was introduced to quantify the interaction between unlike molecules in the presence of polymer. The interaction between unlike molecules due to the presence of the polymer was quantified by the deviation of the Grumberg-Nissan constant, δd'p= d p. Generally, this constant is negative which means that the interactions between water and methanol decrease in the presence of polyvinylpyrrolidone at 25 ºC. The presence of the polymer induces a perturbation of the dynamic equilibrium between free and complexed molecules

  20. Design and Operation of an Electrochemical Methanol Concentration Sensor for Direct Methanol Fuel Cell Systems

    Science.gov (United States)

    Narayanan, S. R.; Valdez, T. I.; Chun, W.

    2000-01-01

    The development of a 150-Watt packaged power source based on liquid feed direct methanol fuel cells is being pursued currently at the Jet propulsion Laboratory for defense applications. In our studies we find that the concentration of methanol in the fuel circulation loop affects the electrical performance and efficiency the direct methanol fuel cell systems significantly. The practical operation of direct methanol fuel cell systems, therefore, requires accurate monitoring and control of methanol concentration. The present paper reports on the principle and demonstration of an in-house developed electrochemical sensor suitable for direct methanol fuel cell systems.

  1. Recent Studies on Methanol Crossover in Liquid-Feed Direct Methanol Fuel Cells

    Science.gov (United States)

    Valdez, T. I.; Narayanan, S. R.

    2000-01-01

    In this work, the effects of methanol crossover and airflow rates on the cathode potential of an operating direct methanol fuel cell are explored. Techniques for quantifying methanol crossover in a fuel cell and for separating the electrical performance of each electrode in a fuel cell are discussed. The effect of methanol concentration on cathode potential has been determined to be significant. The cathode is found to be mass transfer limited when operating on low flow rate air and high concentrations of methanol. Improvements in cathode structure and operation at low methanol concentration have been shown to result in improved cell performance.

  2. Aquadipicrato(tetraethylene glycolgadolinium(III picrate methanol hemisolvate

    Directory of Open Access Journals (Sweden)

    Hoong-Kun Fun

    2008-09-01

    Full Text Available The asymmetric unit of the title compound [systematic name: aquabis(2,4,6-trinitrophenolato(3,6,9-trioxaundecane-1,11-diolgadolinium(III 2,4,6-trinitrophenolate methanol hemisolvate], [Gd(C6H2N3O72(C8H18O5(H2O](C6H2N3O7·0.5CH4O, contains two crystallographically independent GdIII complex cations with two uncoordinated picrate anions and one methanol molecule. Each GdIII atom has nine coordination sites occupied by five O atoms of tetraethylene glycol as a pentadentate ligand, one O atom of a water molecule and three O atoms of the two picrate anions as bidentate and monodentate ligands. The geometry is distorted tricapped trigonal prismatic. The mean planes of the two coordinated mono- and bidentate picrate ligands to the GdIII center are almost perpendicular to each other, as indicated by the dihedral angles of 89.92 (8 and 86.60 (8° in the two complex cations. The ions are arranged in a two-dimensional network parallel to the ac plane. Short O...O and N...O contacts between the nitro groups, intramolecular C—H...O hydrogen bonds, intermolecular O—H...O, O—H...N and C—H...O hydrogen bonds, and two π–π interactions between benzene rings [centroid–centroid distances = 3.8073 (10–3.9831 (10 Å] are observed. The methanol solvent molecule is disordered over two positions, with site-occupancy factors of ca 0.6 and 0.4.

  3. Biodiesel from waste cooking oil via base-catalytic and supercritical methanol transesterification

    International Nuclear Information System (INIS)

    Demirbas, Ayhan

    2009-01-01

    In this study, waste cooking oil has subjected to transesterification reaction by potassium hydroxide (KOH) catalytic and supercritical methanol methods obtaining for biodiesel. In catalyzed methods, the presence of water has negative effects on the yields of methyl esters. In the catalytic transesterification free fatty acids and water always produce negative effects since the presence of free fatty acids and water causes soap formation, consumes catalyst, and reduces catalyst effectiveness. Free fatty acids in the waste cooking oil are transesterified simultaneously in supercritical methanol method. Since waste cooking oil contains water and free fatty acids, supercritical transesterification offers great advantage to eliminate the pre-treatment and operating costs. The effects of methanol/waste cooking oils ratio, potassium hydroxide concentration and temperature on the biodiesel conversion were investigated

  4. Thermodynamic functions of hydrogen bonding of amines in methanol derived from solution calorimetry data and headspace analysis

    Energy Technology Data Exchange (ETDEWEB)

    Zaitseva, Ksenia V., E-mail: zaitseva.ksenia@gmail.com [Chemical Institute, Kazan (Volga Region) Federal University, Kremlevskaya 18, Kazan 420008 (Russian Federation); Varfolomeev, Mikhail A., E-mail: vma.ksu@gmail.com [Chemical Institute, Kazan (Volga Region) Federal University, Kremlevskaya 18, Kazan 420008 (Russian Federation); Solomonov, Boris N., E-mail: boris.solomonov@ksu.ru [Chemical Institute, Kazan (Volga Region) Federal University, Kremlevskaya 18, Kazan 420008 (Russian Federation)

    2012-05-10

    Highlights: Black-Right-Pointing-Pointer Solution enthalpies and activity coefficients of amines in methanol were measured. Black-Right-Pointing-Pointer Thermodynamic functions of H-bonding of amines with methanol were determined. Black-Right-Pointing-Pointer Specific interaction entropy of amines in methanol can be about zero or positive. Black-Right-Pointing-Pointer Cooperativity of H-bonds in methanol media is smaller than in water solutions. Black-Right-Pointing-Pointer A new view on analysis of specific interaction of solute with methanol is presented. - Abstract: Reactivity and equilibrium properties of organic molecules in self-associated liquids greatly depend on the hydrogen bonding with solvent. This work contains comprehensive thermodynamic analysis of hydrogen bonding of aliphatic and aromatic amines in self-associated solvent methanol. Enthalpies of solution at infinite dilution and limiting activity coefficients for the studied systems were measured experimentally. Enthalpies and Gibbs energies of hydrogen bonding of amines with neat methanol were determined. These values were found to be decreased compared with hydrogen bond energy in equimolar complexes 'methanol-amine' determined in inert solvent or base media. A linear dependence between enthalpies and Gibbs energies of hydrogen bonding of amines with neat methanol was observed. It was firstly revealed that the entropy of specific interactions of amines with neat methanol can be about zero or positive. Disruption of solvent-solvent hydrogen bonds can be regarded as the most important step during dissolution of amine in methanol. It was found that the cooperative effect influences on the Gibbs energies of hydrogen bonding of amines in methanol, but in a lesser extent than in aqueous solutions. The new results show that the hydrogen bonding process in the self-associated solvents differs significantly from equimolar complexation in aprotic media.

  5. Structural insights into methanol-stable variants of lipase T6 from Geobacillus stearothermophilus.

    Science.gov (United States)

    Dror, Adi; Kanteev, Margarita; Kagan, Irit; Gihaz, Shalev; Shahar, Anat; Fishman, Ayelet

    2015-11-01

    Enzymatic production of biodiesel by transesterification of triglycerides and alcohol, catalyzed by lipases, offers an environmentally friendly and efficient alternative to the chemically catalyzed process while using low-grade feedstocks. Methanol is utilized frequently as the alcohol in the reaction due to its reactivity and low cost. However, one of the major drawbacks of the enzymatic system is the presence of high methanol concentrations which leads to methanol-induced unfolding and inactivation of the biocatalyst. Therefore, a methanol-stable lipase is of great interest for the biodiesel industry. In this study, protein engineering was applied to substitute charged surface residues with hydrophobic ones to enhance the stability in methanol of a lipase from Geobacillus stearothermophilus T6. We identified a methanol-stable variant, R374W, and combined it with a variant found previously, H86Y/A269T. The triple mutant, H86Y/A269T/R374W, had a half-life value at 70 % methanol of 324 min which reflects an 87-fold enhanced stability compared to the wild type together with elevated thermostability in buffer and in 50 % methanol. This variant also exhibited an improved biodiesel yield from waste chicken oil compared to commercial Lipolase 100L® and Novozyme® CALB. Crystal structures of the wild type and the methanol-stable variants provided insights regarding structure-stability correlations. The most prominent features were the extensive formation of new hydrogen bonds between surface residues directly or mediated by structural water molecules and the stabilization of Zn and Ca binding sites. Mutation sites were also characterized by lower B-factor values calculated from the X-ray structures indicating improved rigidity.

  6. Evaporation and condensation at a liquid surface. II. Methanol

    Science.gov (United States)

    Matsumoto, Mitsuhiro; Yasuoka, Kenji; Kataoka, Yosuke

    1994-11-01

    The rates of evaporation and condensation of methanol under the vapor-liquid equilibrium condition at the temperature of 300 and 350 K are investigated with a molecular dynamics computer simulation. Compared with the argon system (reported in part I), the ratio of self-reflection is similar (˜10%), but the ratio of molecule exchange is several times larger than the argon, which suggests that the conventional assumption of condensation as a unimolecular process completely fails for associating fluids. The resulting total condensation coefficient is 20%-25%, and has a quantitative agreement with a recent experiment. The temperature dependence of the evaporation-condensation behavior is not significant.

  7. Methods of conditioning direct methanol fuel cells

    Science.gov (United States)

    Rice, Cynthia; Ren, Xiaoming; Gottesfeld, Shimshon

    2005-11-08

    Methods for conditioning the membrane electrode assembly of a direct methanol fuel cell ("DMFC") are disclosed. In a first method, an electrical current of polarity opposite to that used in a functioning direct methanol fuel cell is passed through the anode surface of the membrane electrode assembly. In a second method, methanol is supplied to an anode surface of the membrane electrode assembly, allowed to cross over the polymer electrolyte membrane of the membrane electrode assembly to a cathode surface of the membrane electrode assembly, and an electrical current of polarity opposite to that in a functioning direct methanol fuel cell is drawn through the membrane electrode assembly, wherein methanol is oxidized at the cathode surface of the membrane electrode assembly while the catalyst on the anode surface is reduced. Surface oxides on the direct methanol fuel cell anode catalyst of the membrane electrode assembly are thereby reduced.

  8. Retracted: Addition of a single methyl group to a small molecule sodium channel inhibitor introduces a new mode of gating modulation, by L Wang, SG Zellmer, DM Printzenhoff and NA Castle. British Journal of Pharmacology, volume 172(20): 4905-4918, published in October 2015; DOI 10.1111/bph.13259.

    Science.gov (United States)

    2018-07-01

    The above article, published by the British Journal of Pharmacology in October 2015 (https://bpspubs.onlinelibrary.wiley.com/doi/full/10.1111/bph.13259), has been retracted by agreement between the authors, the journal Editor in Chief and John Wiley & Sons Limited. The retraction has been agreed owing to the discovery of errors in the chemical structure of the synthetic compounds generated. The corrected structure is now available in the article PF-06526290 can both enhance and inhibit conduction through voltage gated sodium channels by L Wang, SG Zellmer, DM Printzenhoff and NA Castle, 2018, https://bpspubs.onlinelibrary.wiley.com/doi/full/10.1111/bph.14338. Reference Wang L, Zellmer SG, Printzenhoff DM, Castle NA (2015). Addition of a single methyl group to a small molecule sodium channel inhibitor introduces a new mode of gating modulation. Br J Pharmacol 172: 4905-4918. https://doi.org/10.1111/bph.13259. © 2018 The British Pharmacological Society.

  9. Direct methylation procedure for converting fatty amides to fatty acid methyl esters in feed and digesta samples.

    Science.gov (United States)

    Jenkins, T C; Thies, E J; Mosley, E E

    2001-05-01

    Two direct methylation procedures often used for the analysis of total fatty acids in biological samples were evaluated for their application to samples containing fatty amides. Methylation of 5 mg of oleamide (cis-9-octadecenamide) in a one-step (methanolic HCl for 2 h at 70 degrees C) or a two-step (sodium methoxide for 10 min at 50 degrees C followed by methanolic HCl for 10 min at 80 degrees C) procedure gave 59 and 16% conversions of oleamide to oleic acid, respectively. Oleic acid recovery from oleamide was increased to 100% when the incubation in methanolic HCl was lengthened to 16 h and increased to 103% when the incubation in methoxide was modified to 24 h at 100 degrees C. However, conversion of oleamide to oleic acid in an animal feed sample was incomplete for the modified (24 h) two-step procedure but complete for the modified (16 h) one-step procedure. Unsaturated fatty amides in feed and digesta samples can be converted to fatty acid methyl esters by incubation in methanolic HCl if the time of exposure to the acid catalyst is extended from 2 to 16 h.

  10. Location of catalase in crystalline peroxisomes of methanol-grown Hansenula polymorpha

    NARCIS (Netherlands)

    Keizer, Ineke; Roggenkamp, Rainer; Harder, Willem; Veenhuis, Marten

    1992-01-01

    We have studied the intraperoxisomal location of catalase in peroxisomes of methanol-grown Hansenula polymorpha by (immuno)cytochemical means. In completely crystalline peroxisomes, in which the crystalline matrix is composed of octameric alcohol oxidase (AO) molecules, most of the catalase protein

  11. Production of Methyl Laurate from Coconut Cream through Fractionation of Methyl Ester

    Directory of Open Access Journals (Sweden)

    Johnner P. Sitompul

    2015-10-01

    Full Text Available This paper concerns the production of methyl laurate from coconut cream through fractionation of methyl esters. Coconut oil was produced by wet processing of coconut cream. The esters were prepared by reacting coconut oil and methanol using homogeneous catalyst KOH in a batch reactor, followed by fractionation of fatty acid methyl esters (FAME at various reduced pressures applying differential batch vacuum distillation. Experimental data were compared with simulation of a batch distillation employing the simple Raoult’s model and modified Raoult’s model of phase equilibria. Activity coefficients (γi were determined by optimization to refine the models. The modified Rault’s model with activity coefficients gave better agreement with the experimental data, giving the value of γi between 0,56-0,73. For a given boiling temperature, lower operating pressure produced higher purity of C10 and C12 FAME for respective distillates.

  12. Transesterification of soybean oil with methanol and acetic acid at lower reaction severity under subcritical conditions

    International Nuclear Information System (INIS)

    Go, Alchris Woo; Sutanto, Sylviana; NguyenThi, Bich Thuyen; Cabatingan, Luis K.; Ismadji, Suryadi; Ju, Yi-Hsu

    2014-01-01

    Highlights: • (trans)Esterification of oils under subcritical conditions. • Acetic acid as catalyst and co-solvent in biodiesel production. • Influence of reactor hydrodynamic (loading and stirring) on FAME yield. • High methyl ester yield can be obtained at less severe reaction conditions. - Abstract: Soybean oil (56–80 g) was reacted with methanol (40–106 mL) to produce fatty acid methyl ester in the presence of 1–6% acetic acid under subcritical condition at 250 °C. Stirring and loading of the reaction system affected the yield and severity of the process. The presence of acetic acid improved the yield of FAME from 32.1% to 89.5% at a methanol to oil molar ratio of 20 mL/g. Acetic acid was found to act strongly as an acid catalyst and to some extent improved the solubility between oil and methanol. Reaction pressure higher than the supercritical pressure of methanol (7.85 MPa) was not required to achieve high FAME yield (89.5–94.8%) in short time (30–60 min)

  13. Effect of temperature stress on protein methyl esters

    International Nuclear Information System (INIS)

    Welch, W.; Kracaw, K.

    1986-01-01

    Protein methyl esters have been implicated in a number of physiological processes. They have measured the effect of temperature stress on the levels of protein methyl esters in the mesophilic fungus Penicillium chrysogenum (PCPS) and the thermophilic fungus P. duponti (PD). PD and PCPS were incubated with [methyl- 3 H]methionine. The mycelia were collected by filtration, frozen in liquid nitrogen and ground to a fine powder. The nitrogen powder was extracted with either phosphate buffer or with SDS, glycerol, phosphate, 2-mercaptoethanol. Insoluble material was removed by centrifugation. The supernatants were assayed for protein methyl esters. The released [ 3 H]methanol was extracted into toluene:isoamyl alcohol (3:2) and quantitated by liquid scintillation. The production of volatile methanol was confirmed by use of Conway diffusion cells. Soluble proteins accounted for about one-fourth of the total protein methyl ester extracted by SDS. In PCPS, the SDS extracted proteins have about three times the level of esterification of the soluble proteins whereas in PD there is little difference between soluble and SDS extracted protein. The level of protein esterification in PD is about one-tenth that observed in PCPS. Temperature stress caused large changes in the level of protein esterification. The data suggest protein methyl esters may contribute to the adaptation to environmental stress

  14. UO2 production process with methanol washing

    International Nuclear Information System (INIS)

    Sondermann, T.

    1978-01-01

    The invention refers to a process for the recovery of methanol used for washing the ammonium uranyl carbonate obtained during UO 2 production. The methanol contains about 50% H 2 O, about 10% (NH 4 ) 2 CO 3 , and is radioactive. According to the invention the methanol is purified at reduced pressure in a distillation unit and then led back to the washing unit. (UWI) 891 HP/UWI 892 MBE [de

  15. The fate of methanol in anaerobic bioreactors

    OpenAIRE

    Florencio, L.

    1994-01-01

    Methanol is an important component of certain industrial wastewaters. In anaerobic environments, methanol can be utilized by methanogens and acetogens. In wastewater treatment plants, the conversion of methanol into methane is preferred because this conversion is responsible for chemical oxygen demand (COD) removal, whereas with the formation of volatile fatty acids (VFA) little COD removal is achieved. Moreover, the accumulation of VFA can lead to reactor instability due to pH drops...

  16. Adhesion molecules

    CERN Document Server

    Preedy, Victor R

    2016-01-01

    This book covers the structure and classification of adhesion molecules in relation to signaling pathways and gene expression. It discusses immunohistochemical localization, neutrophil migration, and junctional, functional, and inflammatory adhesion molecules in pathologies such as leukocyte decompression sickness and ischemia reperfusion injury. Highlighting the medical applications of current research, chapters cover diabetes, obesity, and metabolic syndrome; hypoxia; kidney disease; smoking, atrial fibrillation, and heart disease, the brain and dementia; and tumor proliferation. Finally, it looks at molecular imaging and bioinformatics, high-throughput technologies, and chemotherapy.

  17. Generation of gaseous methanol reference standards

    International Nuclear Information System (INIS)

    Geib, R.C.

    1991-01-01

    Methanol has been proposed as an automotive fuel component. Reliable, accurate methanol standards are essential to support widespread monitoring programs. The monitoring programs may include quantification of methanol from tailpipe emissions, evaporative emissions, plus ambient air methanol measurements. This paper will present approaches and results in the author's investigation to develop high accuracy methanol standards. The variables upon which the authors will report results are as follows: (1) stability of methanol gas standards, the studies will focus on preparation requirements and stability results from 10 to 1,000 ppmv; (2) cylinder to instrument delivery system components and purge technique, these studies have dealt with materials in contact with the sample stream plus static versus flow injection; (3) optimization of gas chromatographic analytical system will be discussed; (4) gas chromatography and process analyzer results and utility for methanol analysis will be presented; (5) the accuracy of the methanol standards will be qualified using data from multiple studies including: (a) gravimetric preparation; (b) linearity studies; (c) independent standards sources such as low pressure containers and diffusion tubes. The accuracy will be provided as a propagation of error from multiple sources. The methanol target concentrations will be 10 to 500 ppmv

  18. Methanol Extract of Myelophycus caespitosus Inhibits the ...

    African Journals Online (AJOL)

    Methanol Extract of Myelophycus caespitosus Inhibits the Inflammatory Response in Lipopolysaccharidestimulated BV2 Microglial Cells by Downregulating NF-kB via Inhibition of the Akt Signaling Pathway.

  19. Developments in the European methanol market

    International Nuclear Information System (INIS)

    Speed, J.

    1995-01-01

    In the late eighties/early nineties the World Methanol Market was basically divided into three regional markets--America, Asia Pacific and Europe. These markets were interrelated but each had its own specific characteristics and traditional suppliers. Now the situation has changed; in the mid nineties there is a Global Methanol Market with global players and effective global pricing and the European market is governed by events world-wide. Europe is however a specific market with specific characteristics which are different from those of other markets although it is also part of the Global Market. Hence before the author focuses on Europe he looks at the World Market. The paper discusses world methanol production and consumption by region, world methanol consumption by end use, world methanol supply demand balance, the west European market, western European methanol production, methanol imports to W. Europe, the Former Soviet Union supplies, W. European methanol consumption by end use, MTBE in Europe, duties on methanol imports into W. Europe, investment in Europe, the effect of the 1994/95 price spike, and key issues for the future of the industry

  20. Methanol in the L1551 Circumbinary Torus

    OpenAIRE

    White, Glenn J.; Fridlund, C. W. M.; Bergman, P.; Beardsmore, A.; Liseau, Rene; Phillips, R. R.

    2006-01-01

    We report observations of gaseous methanol in an edge-on torus surrounding the young stellar object L1551 IRS5. The peaks in the torus are separated by ~ 10,000 AU from L1551 IRS5, and contain ~ 0.03 earth masses of cold methanol. We infer that the methanol abundance increases in the outer part of the torus, probably as a result of methanol evaporation from dust grain surfaces heated by the shock luminosity associated with the shocks associated with the jets of an externally located x-ray sou...

  1. Soil and groundwater remediation guidelines for methanol

    International Nuclear Information System (INIS)

    2010-12-01

    Methanol is used by oil and gas operators to inhibit hydrate formation in the recovery of heavy oils, in natural gas production and transport, as well as in various other production applications. Emissions from methanol primary occur from miscellaneous solvent usage, methanol production, end-product manufacturing, and storage and handling losses. This document provided soil and groundwater remediation guidelines for methanol releases into the environment. The guidelines were consistent with the Alberta Environment tier 1 soil and groundwater framework. The chemical and physical properties of methanol were reviewed. The environmental fate and behavior of methanol releases was discussed, and the behaviour and effects of methanol in terrestrial and aquatic biota were evaluated. The toxicity of methanol and its effects in humans and mammalian species were reviewed. Soil quality and ground water quality guidelines were presented. Surface water and soil guideline calculation methods were provided, and ecological exposure and ground water pathways were discussed. Management limits for methanol concentrations were also provided. 162 refs., 18 tabs., 4 figs.

  2. Determination of methanol in Iranian herbal distillates.

    Science.gov (United States)

    Shirani, Kobra; Hassani, Faezeh Vahdati; Azar-Khiavi, Kamal Razavi; Moghaddam, Zohreh Samie; Karimi, Gholamreza

    2016-06-01

    Herbal distillates have been used as beverages, for flavoring, or as phytomedicines in many countries for a long time. Recently, the occurrence of blindness after drinking herbal distillates has created concerns in Iran. The aim of this study was to determine the concentrations of methanol in herbal distillates produced in Iran. Eighty-four most commonly used herbal distillates purchased from herbal distillate factories were analyzed for methanol contents by gas chromatography and flame ionization detection, with ethanol as internal standard. In 15 herbal distillates, the methanol concentration was below the limit of quantitation. The methanol concentrations in all samples ranged from 43 to 277 mg/L. Forty-five samples contained methanol in excess of the Iranian standard. The maximum concentration was found in an herbal distillate of Mentha piperita (factory E) (277±12), and the minimum in a distillate of Carum carvi (factory B) (42.6 ± 0.5). Since the 45 Iranian herbal distillates containing methanol levels were beyond the legal limits according to the Iranian standard, it seems necessary to monitor the amount of methanol and give a warning to watch out for the latent risk problem of methanol uptake, and establish a definitive relationship between the degree of intoxication observed and the accumulation of methanol in the blood.

  3. The fluorescence behaviour of methyl and phenyl salicylate

    Science.gov (United States)

    Ford, D.; Thistlethwaite, P. J.; Woolfe, G. J.

    1980-01-01

    Fluorcsccnce lifetimes tor the 450 nm emission of methyl and phenyl salicylate in various solvents have been measured. Qucnching studics on the 340 nm fluorescence of these molecules point to the existence of three distinct ground state conformers.

  4. Autonomous Voltage Oscillations in a Direct Methanol Fuel Cell

    International Nuclear Information System (INIS)

    Nogueira, Jéssica A.; Peña Arias, Ivonne K.; Hanke-Rauschenbach, Richard; Vidakovic-Koch, Tanja; Varela, Hamilton; Sundmacher, Kai

    2016-01-01

    Proton exchange membrane fuel cells fed with H_2/CO mixtures at the anode have a considerably lower performance than fuel cells fed with pure hydrogen. However, when operated in an autonomous oscillatory regime, the overall voltage loss decreases due to a self-cleaning mechanism. Another molecule, also widely used as feed in the fuel cell and susceptible to kinetic instabilities, is methanol. To the best of our knowledge, there are no reports on autonomous voltage oscillations in the direct methanol fuel cell (DMFC). The purpose of this work was to explore if such instabilities also occur in the DMFC system. Initially, half-cell experiments with a gas diffusion electrode were performed. Then, a DMFC was operated under current control and studied by means of electrochemical impedance spectroscopy. The half-cell measurements revealed that the induction period for oscillations depends on the mass transfer conditions, where on stagnant electrode the induction time was shorter than in the case of forced convection. The DMFC showed also autonomous voltage oscillations above a certain threshold current. The results obtained by electrochemical impedance spectroscopy give evidence of a negative differential resistance in the fuel cell, hitherto not described in the literature, which can be related to the appearance of oscillations during galvanostatic methanol electro-oxidation. These results open the possibility to evaluate the performance of low-temperature fuel cells fed with carbon-containing fuels under oscillatory operating conditions.

  5. Improvement of biodiesel methanol blends

    Directory of Open Access Journals (Sweden)

    Y. Datta Bharadwaz

    2016-06-01

    Full Text Available The main objective of this work was to improve the performance of biodiesel–methanol blends in a VCR engine by using optimized engine parameters. For optimization of the engine, operational parameters such as compression ratio, fuel blend, and load are taken as factors, whereas performance parameters such as brake thermal efficiency (Bth and brake specific fuel consumption (Bsfc and emission parameters such as carbon monoxide (CO, unburnt hydrocarbons (HC, Nitric oxides (NOx and smoke are taken as responses. Experimentation is carried out as per the design of experiments of the response surface methodology. Optimization of engine operational parameters is carried out using Derringers Desirability approach. From the results obtained it is inferred that the VCR engine has maximum performance and minimum emissions at 18 compression ratio, 5% fuel blend and at 9.03 kg of load. At this optimized operating conditions of the engine the responses such as brake thermal efficiency, brake specific fuel consumption, carbon monoxide, unburnt hydrocarbons, nitric oxide, and smoke are found to be 31.95%, 0.37 kg/kW h, 0.036%, 5 ppm, 531.23 ppm and 15.35% respectively. It is finally observed from the mathematical models and experimental data that biodiesel methanol blends have maximum efficiency and minimum emissions at optimized engine parameters.

  6. Molecule Matters

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 16; Issue 12. Molecule Matters - Dinitrogen. A G Samuelson J Jabadurai. Volume 16 Issue 12 ... Author Affiliations. A G Samuelson1 J Jabadurai1. Department of Inroganic and Physical Chemistry, Indian Institute of Science, Bangalore 560 012, India.

  7. Molecule Matters

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 11; Issue 9. Molecule Matters - A Chromium Compound with a Quintuple Bond. K C Kumara Swamy. Feature Article Volume 11 Issue 9 September 2006 pp 72-75. Fulltext. Click here to view fulltext PDF. Permanent link:

  8. Solubility and preferential solvation of some n-alkyl-parabens in methanol + water mixtures at 298.15 K

    International Nuclear Information System (INIS)

    Cárdenas, Zaira J.; Jiménez, Daniel M.; Delgado, Daniel R.; Almanza, Ovidio A.; Jouyban, Abolghasem; Martínez, Fleming; Acree, William E.

    2017-01-01

    Highlights: • Parabens equilibrium solubility was determined in methanol + water binary mixtures at 298.15 K. • Solubility values were correlated with the Jouyban-Acree model. • Preferential solvation parameters were derived by using the IKBI method. • δx 1,3 values are negative in water-rich mixtures but positive in the other mixtures. - Abstract: Methyl, ethyl and propyl parabens equilibrium solubility was determined in (methanol + water) binary mixtures at 298.15 K. The mole fraction solubility of these compounds increased in 503 (from 2.40 × 10 −4 to 0.121), 1377 (from 9.86 × 10 −5 to 0.136) and 4597 (from 3.73 × 10 −5 to 0.171) times when passing from neat water to neat methanol, for methyl, ethyl and propyl parabens, respectively. All these solubility values were correlated with the Jouyban-Acree model. Preferential solvation parameters by methanol (δx 1,3 ) of these parabens were derived from their thermodynamic solution properties using the inverse Kirkwood-Buff integrals (IKBI) method. For all compounds δx 1,3 values are negative in water-rich mixtures but positive in mixtures with methanol mole fraction greater than 0.32. It is conjecturable that in the former case the hydrophobic hydration around non-polar groups of parabens plays a relevant role in the solvation. Besides, the preferential solvation of these solutes by methanol in mixtures of similar co-solvent compositions and in methanol-rich mixtures could be explained in terms of the higher basic behaviour of methanol.

  9. The Role of Solvent Polarity on Low-Temperature Methanol Synthesis Catalyzed by Cu Nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Ahoba-Sam, Christian [Department of Process, Energy and Environmental Technology, University College of Southeast Norway, Porsgrunn (Norway); Olsbye, Unni [Department of Chemistry, University of Oslo, Oslo (Norway); Jens, Klaus-Joachim, E-mail: Klaus.J.Jens@usn.no [Department of Process, Energy and Environmental Technology, University College of Southeast Norway, Porsgrunn (Norway)

    2017-07-14

    Methanol syntheses at low temperature in a liquid medium present an opportunity for full syngas conversion per pass. The aim of this work was to study the role of solvents polarity on low-temperature methanol synthesis reaction using eight different aprotic polar solvents. A “once through” catalytic system, which is composed of Cu nanoparticles and sodium methoxide, was used for methanol synthesis at 100°C and 20 bar syngas pressure. Solvent polarity rather than the 7–10 nm Cu (and 30 nm Cu on SiO{sub 2}) catalyst used dictated trend of syngas conversion. Diglyme with a dielectric constant (ε) = 7.2 gave the highest syngas conversion among the eight different solvents used. Methanol formation decreased with either increasing or decreasing solvent ε value of diglyme (ε = 7.2). To probe the observed trend, possible side reactions of methyl formate (MF), the main intermediate in the process, were studied. MF was observed to undergo two main reactions; (i) decarbonylation to form CO and MeOH and (ii) a nucleophilic substitution to form dimethyl ether and sodium formate. Decreasing polarity favored the decarbonylation side reaction while increasing polarity favored the nucleophilic substitution reaction. In conclusion, our results show that moderate polarity solvents, e.g., diglyme, favor MF hydrogenolysis and, hence, methanol formation, by retarding the other two possible side reactions.

  10. Ejection of solvated ions from electrosprayed methanol/water nanodroplets studied by molecular dynamics simulations.

    Science.gov (United States)

    Ahadi, Elias; Konermann, Lars

    2011-06-22

    The ejection of solvated small ions from nanometer-sized droplets plays a central role during electrospray ionization (ESI). Molecular dynamics (MD) simulations can provide insights into the nanodroplet behavior. Earlier MD studies have largely focused on aqueous systems, whereas most practical ESI applications involve the use of organic cosolvents. We conduct simulations on mixed water/methanol droplets that carry excess NH(4)(+) ions. Methanol is found to compromise the H-bonding network, resulting in greatly increased rates of ion ejection and solvent evaporation. Considerable differences in the water and methanol escape rates cause time-dependent changes in droplet composition. Segregation occurs at low methanol concentration, such that layered droplets with a methanol-enriched periphery are formed. This phenomenon will enhance the partitioning of analyte molecules, with possible implications for their ESI efficiencies. Solvated ions are ejected from the tip of surface protrusions. Solvent bridging prior to ion secession is more extensive for methanol/water droplets than for purely aqueous systems. The ejection of solvated NH(4)(+) is visualized as diffusion-mediated escape from a metastable basin. The process involves thermally activated crossing of a ~30 kJ mol(-1) free energy barrier, in close agreement with the predictions of the classical ion evaporation model.

  11. Methyl 3,4-bis(cyclopropylmethoxybenzoate

    Directory of Open Access Journals (Sweden)

    Xian-Chao Cheng

    2011-05-01

    Full Text Available The title compound, C16H20O4, was obtained unintentionally as the byproduct of an attempted synthesis of methyl 3-(cyclopropylmethoxy-4-hydroxybenzoate. In the crystal, the molecules are linked by intermolecular C—H...O interactions.

  12. Thermodynamic functions of hydrogen bonding of amines in methanol derived from solution calorimetry data and headspace analysis

    International Nuclear Information System (INIS)

    Zaitseva, Ksenia V.; Varfolomeev, Mikhail A.; Solomonov, Boris N.

    2012-01-01

    Highlights: ► Solution enthalpies and activity coefficients of amines in methanol were measured. ► Thermodynamic functions of H-bonding of amines with methanol were determined. ► Specific interaction entropy of amines in methanol can be about zero or positive. ► Cooperativity of H-bonds in methanol media is smaller than in water solutions. ► A new view on analysis of specific interaction of solute with methanol is presented. - Abstract: Reactivity and equilibrium properties of organic molecules in self-associated liquids greatly depend on the hydrogen bonding with solvent. This work contains comprehensive thermodynamic analysis of hydrogen bonding of aliphatic and aromatic amines in self-associated solvent methanol. Enthalpies of solution at infinite dilution and limiting activity coefficients for the studied systems were measured experimentally. Enthalpies and Gibbs energies of hydrogen bonding of amines with neat methanol were determined. These values were found to be decreased compared with hydrogen bond energy in equimolar complexes “methanol–amine” determined in inert solvent or base media. A linear dependence between enthalpies and Gibbs energies of hydrogen bonding of amines with neat methanol was observed. It was firstly revealed that the entropy of specific interactions of amines with neat methanol can be about zero or positive. Disruption of solvent–solvent hydrogen bonds can be regarded as the most important step during dissolution of amine in methanol. It was found that the cooperative effect influences on the Gibbs energies of hydrogen bonding of amines in methanol, but in a lesser extent than in aqueous solutions. The new results show that the hydrogen bonding process in the self-associated solvents differs significantly from equimolar complexation in aprotic media.

  13. The effects of methanol on the trapping of volatile ice components

    Science.gov (United States)

    Burke, Daren J.; Brown, Wendy A.

    2015-04-01

    The evaporation of icy mantles, which have been formed on the surface of dust grains, is acknowledged to give rise to the rich chemistry that has been observed in the vicinity of hot cores and corinos. It has long been established that water ice is the dominant species within many astrophysical ices. However, other molecules found within astrophysical ices, particularly methanol, can influence the desorption of volatile species from the ice. Here we present a detailed investigation of the adsorption and desorption of methanol-containing ices, showing the effect that methanol has on the trapping and release of volatiles from model interstellar ices. OCS and CO2 have been used as probe molecules since they have been suggested to reside in water-rich and methanol-rich environments. Experiments show that methanol fundamentally changes the desorption characteristics of both OCS and CO2, leading to the observation of mainly codesorption of both species with bulk water ice for the tertiary ices and causing a lowering of the temperature of the volcano component of the desorption. In contrast, binary ices are dominated by standard volcano desorption. This observation clearly shows that codepositing astrophysically relevant impurities with water ice, such as methanol, can alter the desorption dynamics of volatiles that become trapped in the pores of the amorphous water ice during the sublimation process. Incorporating experimental data into a simple model to simulate these processes on astrophysical timescales shows that the additional methanol component releases larger amounts of OCS from the ice mantle at lower temperatures and earlier times. These results are of interest to astronomers as they can be used to model the star formation process, hence giving information about the evolution of our Universe.

  14. ( Asteraceae ) methanol extracts against Helicobacter pylori

    African Journals Online (AJOL)

    Methanol vehicle did not affect H. pylori growth. Conclusion: The observed antibacterial effect of G. glutinosum extracts may be of benefit as an adjuvant treatment of diseases caused by H. pylori. Key words: Gymnosperma glutinosum, Helicobacter pylori, methanol extract, minimal inhibitory concentration (MIC).

  15. Developmental and Reproductive Toxicology of Methanol

    Science.gov (United States)

    Methanol is a high production volume chemical used as a feedstock for chemical syntheses and as a solvent and fuel additive. Methanol is acutely toxic to humans, causing acidosis, blindness in death at high dosages, but its developmental and reproductive toxicity in humans is poo...

  16. Methanol as fuel: evaluation of atmosphere contamination

    International Nuclear Information System (INIS)

    Alonso, C.D.; Romano, J.; Guardani, M.L.G.

    1991-01-01

    With the beginning of methanol use as automotive fuel in Sao Paulo city, 1990, were realized special measurements of methanol, formaldehyde, ethanol and acetaldehyde in atmosphere. Other indicators of air quality as carbon and ozone monoxide were also observed in this study. (C.M.)

  17. Nanospiral Formation by Droplet Drying: One Molecule at a Time

    Directory of Open Access Journals (Sweden)

    Wan Lei

    2011-01-01

    Full Text Available Abstract We have created nanospirals by self-assembly during droplet evaporation. The nanospirals, 60–70 nm in diameter, formed when solvent mixtures of methanol and m-cresol were used. In contrast, spin coating using only methanol as the solvent produced epitaxial films of stripe nanopatterns and using only m-cresol disordered structure. Due to the disparity in vapor pressure between the two solvents, droplets of m-cresol solution remaining on the substrate serve as templates for the self-assembly of carboxylic acid molecules, which in turn allows the visualization of solution droplet evaporation one molecule at a time.

  18. Production of methanol/DME from biomass

    DEFF Research Database (Denmark)

    Ahrenfeldt, Jesper; Henriksen, Ulrik Birk; Münster-Swendsen, Janus

    In this project the production of DME/methanol from biomass has been investigated. Production of DME/methanol from biomass requires the use of a gasifier to transform the solid fuel to a synthesis gas (syngas) - this syngas can then be catalytically converted to DME/methanol. Two different gasifier...... cleaning. This was proved by experiments. Thermodynamic computer models of DME and methanol plants based on using the Two-Stage Gasification concept were created to show the potential of such plants. The models showed that the potential biomass to DME/methanol + net electricity energy efficiency was 51...... gasification, but little information exists on using these types of gasifiers for biomass gasification. The experiments performed provided quantitative data on product and gas composition as a function of operation conditions. Biomass can be gasified with less oxygen consumption compared to coal. The organic...

  19. Investigations into low pressure methanol synthesis

    DEFF Research Database (Denmark)

    Sharafutdinov, Irek

    The central topic of this work has been synthesis, characterization and optimization of novel Ni-Ga based catalysts for hydrogenation of CO2 to methanol. The overall goal was to search for materials that could be used as a low temperature (and low pressure) methanol synthesis catalyst....... This is required for small scale delocalized methanol production sites, where installation of energy demanding compression units should be avoided. The work was triggered by DFT calculations, which showed that certain bimetallic systems are active towards methanol synthesis from CO2 and H2 at ambient pressure...... containing 5:3 molar ratio of Ni:Ga, the intrinsic activity (methanol production rate per active surface area) is comparable to that of highly optimised Cu/ZnO/Al2O3. Formation of the catalyst was investigated with the aid of in-situ XRD and in-situ XAS techniques. The mechanism of alloying was proposed...

  20. Recycling of greenhouse gases via methanol

    Energy Technology Data Exchange (ETDEWEB)

    Bill, A [Paul Scherrer Inst. (PSI), Villigen (Switzerland); Eliasson, B; Kogelschatz, U [ABB Corporate Research Center, Baden-Daettwil (Switzerland)

    1997-06-01

    Greenhouse gas emissions to the atmosphere can be mitigated by using direct control technologies (capture, disposal or chemical recycling). We report on carbon dioxide and methane recycling with other chemicals, especially with hydrogen and oxygen, to methanol. Methanol synthesis from CO{sub 2} is investigated on various catalysts at moderate pressures ({<=}30 bar) and temperatures ({<=}300{sup o}C). The catalysts show good methanol activities and selectivities. The conversion of CO{sub 2} and CH{sub 4} to methanol is also studied in a silent electrical discharge at pressures of 1 to 4 bar and temperatures close to room temperature. Methanol yields are given for mixtures of CO{sub 2}/H{sub 2}, CH{sub 4}/O{sub 2} and also for CH{sub 4} and air mixtures. (author) 2 figs., 5 refs.

  1. Excess electrons in methanol clusters: Beyond the one-electron picture

    Science.gov (United States)

    Pohl, Gábor; Mones, Letif; Turi, László

    2016-10-01

    We performed a series of comparative quantum chemical calculations on various size negatively charged methanol clusters, ("separators=" CH 3 OH ) n - . The clusters are examined in their optimized geometries (n = 2-4), and in geometries taken from mixed quantum-classical molecular dynamics simulations at finite temperature (n = 2-128). These latter structures model potential electron binding sites in methanol clusters and in bulk methanol. In particular, we compute the vertical detachment energy (VDE) of an excess electron from increasing size methanol cluster anions using quantum chemical computations at various levels of theory including a one-electron pseudopotential model, several density functional theory (DFT) based methods, MP2 and coupled-cluster CCSD(T) calculations. The results suggest that at least four methanol molecules are needed to bind an excess electron on a hydrogen bonded methanol chain in a dipole bound state. Larger methanol clusters are able to form stronger interactions with an excess electron. The two simulated excess electron binding motifs in methanol clusters, interior and surface states, correlate well with distinct, experimentally found VDE tendencies with size. Interior states in a solvent cavity are stabilized significantly stronger than electron states on cluster surfaces. Although we find that all the examined quantum chemistry methods more or less overestimate the strength of the experimental excess electron stabilization, MP2, LC-BLYP, and BHandHLYP methods with diffuse basis sets provide a significantly better estimate of the VDE than traditional DFT methods (BLYP, B3LYP, X3LYP, PBE0). A comparison to the better performing many electron methods indicates that the examined one-electron pseudopotential can be reasonably used in simulations for systems of larger size.

  2. Stimulatory Effects of Acibenzolar-S-methyl on Chlorogenic Acids Biosynthesis in Centella asiatica Cells

    Directory of Open Access Journals (Sweden)

    Efficient N Ncube

    2016-09-01

    Full Text Available Centella asiatica is a perennial herb that grows in tropical regions with numerous medicinal properties, mostly attributed to the presence of pentacyclic triterpenoids. Interestingly, this plant also possess a significant amount of phenylpropanoid-derived chlorogenic acids (CGAs that have recently been reported to confer neuroprotective properties. In a biotechnological attempt to increase the biosynthesis of CGA-derivatives in cultured Centella cells, acibenzolar-S-methyl was applied as a xenobiotic inducer in combination with quinic acid and shikimic acid as precursor molecules. Applying a semi-targeted metabolomics-based approach, time and concentration studies were undertaken to evaluate the effect of the manipulation on cellular metabolism leading to CGA production. Phytochemical extracts were prepared using methanol and analysed using a UHPLC-qTOF-MS platform. Data was processed and analysed using multivariate data models. A total of four CGA-derivatives, annotated as trans-5-feruloylquinic acid, 3,5 di-caffeoylquinic acid, 3,5-O-dicaffeoyl-4-O-malonylquinic acid (irbic acid and 3-caffeoyl, 5-feruloylquinic acid, were found to be upregulated by the acibenzolar-S-methyl treatment. To the best of our knowledge, this is the first report on the induction of CGA derivatives in this species. Contrary to expectations, the precursor molecules had very little effects on the levels of the CGAs. However, a total of 16 metabolites, including CGA derivatives, were up-regulated by precursor treatment. Therefore, this study shows potential to biotechnologically manipulate C. asiatica cells to increase the production of these health beneficial CGAs.

  3. Core-hole-induced dynamical effects in the x-ray emission spectrum of liquid methanol.

    Science.gov (United States)

    Ljungberg, M P; Zhovtobriukh, I; Takahashi, O; Pettersson, L G M

    2017-04-07

    We compute the x-ray emission spectrum of liquid methanol, with the dynamical effects that result from the creation of the core hole included in a semiclassical way. Our method closely reproduces a fully quantum mechanical description of the dynamical effects for relevant one-dimensional models of the hydrogen-bonded methanol molecules. For the liquid, we find excellent agreement with the experimental spectrum, including the large isotope effect in the first split peak. The dynamical effects depend sensitively on the initial structure in terms of the local hydrogen-bonding (H-bonding) character: non-donor molecules contribute mainly to the high-energy peak while molecules with a strong donating H-bond contribute to the peak at lower energy. The spectrum thus reflects the initial structure mediated by the dynamical effects that are, however, seen to be crucial in order to reproduce the intensity distribution of the recently measured spectrum.

  4. Hydrostatic pressure effect on PNIPAM cononsolvency in water-methanol solutions.

    Science.gov (United States)

    Pica, Andrea; Graziano, Giuseppe

    2017-12-01

    When methanol is added to water at room temperature and 1atm, poly (N-isopropylacrylamide), PNIPAM, undergoes a coil-to-globule collapse transition. This intriguing phenomenon is called cononsolvency. Spectroscopic measurements have shown that application of high hydrostatic pressure destroys PNIPAM cononsolvency in water-methanol solutions. We have developed a theoretical approach that identifies the decrease in solvent-excluded volume effect as the driving force of PNIPAM collapse on increasing the temperature. The same approach indicates that cononsolvency, at room temperature and P=1atm, is caused by the inability of PNIPAM to make all the attractive energetic interactions that it could be engaged in, due to competition between water and methanol molecules. The present analysis suggests that high hydrostatic pressure destroys cononsolvency because the coil state becomes more compact, and the quantity measuring PNIPAM-solvent attractions increases in magnitude due to the solution density increase, and the ability of small water molecules to substitute methanol molecules on PNIPAM surface. Copyright © 2017 Elsevier B.V. All rights reserved.

  5. DNA damage, homology-directed repair, and DNA methylation.

    Directory of Open Access Journals (Sweden)

    Concetta Cuozzo

    2007-07-01

    Full Text Available To explore the link between DNA damage and gene silencing, we induced a DNA double-strand break in the genome of Hela or mouse embryonic stem (ES cells using I-SceI restriction endonuclease. The I-SceI site lies within one copy of two inactivated tandem repeated green fluorescent protein (GFP genes (DR-GFP. A total of 2%-4% of the cells generated a functional GFP by homology-directed repair (HR and gene conversion. However, approximately 50% of these recombinants expressed GFP poorly. Silencing was rapid and associated with HR and DNA methylation of the recombinant gene, since it was prevented in Hela cells by 5-aza-2'-deoxycytidine. ES cells deficient in DNA methyl transferase 1 yielded as many recombinants as wild-type cells, but most of these recombinants expressed GFP robustly. Half of the HR DNA molecules were de novo methylated, principally downstream to the double-strand break, and half were undermethylated relative to the uncut DNA. Methylation of the repaired gene was independent of the methylation status of the converting template. The methylation pattern of recombinant molecules derived from pools of cells carrying DR-GFP at different loci, or from an individual clone carrying DR-GFP at a single locus, was comparable. ClustalW analysis of the sequenced GFP molecules in Hela and ES cells distinguished recombinant and nonrecombinant DNA solely on the basis of their methylation profile and indicated that HR superimposed novel methylation profiles on top of the old patterns. Chromatin immunoprecipitation and RNA analysis revealed that DNA methyl transferase 1 was bound specifically to HR GFP DNA and that methylation of the repaired segment contributed to the silencing of GFP expression. Taken together, our data support a mechanistic link between HR and DNA methylation and suggest that DNA methylation in eukaryotes marks homologous recombined segments.

  6. Acute effect of methyl bromide on sleep-wakefulness and its

    Energy Technology Data Exchange (ETDEWEB)

    Tanaka, S; Arito, H; Abuku, S; Imamiya, S

    1986-01-01

    In an attempt to clarify the acute effects of methyl bromide on the central nervous system, abnormal electrocorticographic activity and changes in sleep-wakefulness and its circadian rhythms were investigated after a single injection of methyl bromide. The effects of possible hydrolyzed products of methyl bromide, methanol and bromine ions on sleep and its rhythms were also examined. It was found that the hydrolyzed products of methyl bromide, bromine ions and methanol exerted little effect on the amounts of wakefulness (W), non-REM sleep (NREMS) and REM sleep (REMS) at the same molar dose as 45 mg methyl bromide/kg. Thus, it can be concluded that the methyl bromide-induced changes in sleep-wakefulness and its circadian rhythms are due to methyl bromide and not to the hydrolyzed products. It was also found that amounts of W, NREMS and REMS were changed dose-dependently after a single injection of methyl bromide and that methyl bromide significantly disrupted the circadian REMS rhythm. 17 references, 1 figure, 1 table.

  7. Use of calcium oxide in palm oil methyl ester production

    Directory of Open Access Journals (Sweden)

    Kulchanat Prasertsit

    2014-04-01

    Full Text Available Introducing an untreated calcium oxide (CaO as a solid heterogeneous catalyst for biodiesel production from palm oil by transesterification was studied in this work. The four studied parameters were methanol to oil molar ratio, CaO catalyst concentration, reaction time, and water content. The results for palm oil show that when the water content is higher than 3%wt and the amount of CaO greater than 7%wt soap formation from saponification occurs. A higher methanol to oil molar ratio requires a higher amount of CaO catalyst to provide the higher product purity. The appropriate methanol to CaO catalyst ratio is about 1.56. Commercial grade CaO gives almost the same results as AR grade CaO. In addition, reusing commercial grade CaO for about 5 to 10 repetitions without catalyst regeneration drops the percentage of methyl ester purity approximately 5 to 10%, respectively.

  8. 1,5-Bis(2-hydroxy-3-methoxybenzylidenecarbonohydrazide methanol 0.47-solvate

    Directory of Open Access Journals (Sweden)

    Mouhamadou Moustapha Sow

    2014-04-01

    Full Text Available In the title compound, C17H18N4O5·0.47CH3OH, the virtually planar (r.m.s. deviation = 0.128 Å carbonohydrazide molecule is located on a twofold axis and conformation of its C=N bonds is E. There are short intramolecular O—H...N hydrogen bonds between the hydroxy groups and hydrazide N atoms. In the crystal, bifurcated N—H...(O,O hydrogen bonds assemble the carbonohydrazide molecules into a three-dimensional network. There are C2 symmetric voids in this network, 47% of which are occupied by disordered methanol molecules.

  9. Discovery and development of 5-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl-methyl]-3-thiophenecarboxylic acid (BMS-587101)--a small molecule antagonist of leukocyte function associated antigen-1.

    Science.gov (United States)

    Potin, Dominique; Launay, Michele; Monatlik, Francoise; Malabre, Patrice; Fabreguettes, Maud; Fouquet, Andre; Maillet, Magali; Nicolai, Eric; Dorgeret, Loïc; Chevallier, François; Besse, Dominique; Dufort, Monique; Caussade, François; Ahmad, Syed Z; Stetsko, Dawn K; Skala, Stacey; Davis, Patricia M; Balimane, Praveen; Patel, Karishma; Yang, Zheng; Marathe, Punit; Postelneck, Jennifer; Townsend, Robert M; Goldfarb, Valentina; Sheriff, Steven; Einspahr, Howard; Kish, Kevin; Malley, Mary F; DiMarco, John D; Gougoutas, Jack Z; Kadiyala, Pathanjali; Cheney, Daniel L; Tejwani, Ravindra W; Murphy, Denette K; Mcintyre, Kim W; Yang, Xiaoxia; Chao, Sam; Leith, Leslie; Xiao, Zili; Mathur, Arvind; Chen, Bang-Chi; Wu, Daugh-Rurng; Traeger, Sarah C; McKinnon, Murray; Barrish, Joel C; Robl, Jeffrey A; Iwanowicz, Edwin J; Suchard, Suzanne J; Dhar, T G Murali

    2006-11-30

    LFA-1 (leukocyte function-associated antigen-1), is a member of the beta2-integrin family and is expressed on all leukocytes. This letter describes the discovery and preliminary SAR of spirocyclic hydantoin based LFA-1 antagonists that culminated in the identification of analog 8 as a clinical candidate. We also report the first example of the efficacy of a small molecule LFA-1 antagonist in combination with CTLA-4Ig in an animal model of transplant rejection.

  10. Dissociation dynamics of methylal

    Energy Technology Data Exchange (ETDEWEB)

    Beaud, P; Frey, H -M; Gerber, T; Mischler, B; Radi, P P; Tzannis, A -P [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1999-08-01

    The dissociation of methylal is investigated using mass spectrometry, combined with a pyrolytic radical source and femtosecond pump probe experiments. Based on preliminary results two reaction paths of methylal dissociation are proposed and discussed. (author) 4 fig., 3 refs.

  11. Engineering Escherichia coli for methanol conversion.

    Science.gov (United States)

    Müller, Jonas E N; Meyer, Fabian; Litsanov, Boris; Kiefer, Patrick; Potthoff, Eva; Heux, Stéphanie; Quax, Wim J; Wendisch, Volker F; Brautaset, Trygve; Portais, Jean-Charles; Vorholt, Julia A

    2015-03-01

    Methylotrophic bacteria utilize methanol and other reduced one-carbon compounds as their sole source of carbon and energy. For this purpose, these bacteria evolved a number of specialized enzymes and pathways. Here, we used a synthetic biology approach to select and introduce a set of "methylotrophy genes" into Escherichia coli based on in silico considerations and flux balance analysis to enable methanol dissimilation and assimilation. We determined that the most promising approach allowing the utilization of methanol was the implementation of NAD-dependent methanol dehydrogenase and the establishment of the ribulose monophosphate cycle by expressing the genes for hexulose-6-phosphate synthase (Hps) and 6-phospho-3-hexuloisomerase (Phi). To test for the best-performing enzymes in the heterologous host, a number of enzyme candidates from different donor organisms were selected and systematically analyzed for their in vitro and in vivo activities in E. coli. Among these, Mdh2, Hps and Phi originating from Bacillus methanolicus were found to be the most effective. Labeling experiments using (13)C methanol with E. coli producing these enzymes showed up to 40% incorporation of methanol into central metabolites. The presence of the endogenous glutathione-dependent formaldehyde oxidation pathway of E. coli did not adversely affect the methanol conversion rate. Taken together, the results of this study represent a major advancement towards establishing synthetic methylotrophs by gene transfer. Copyright © 2015 International Metabolic Engineering Society. Published by Elsevier Inc. All rights reserved.

  12. Synthesis of radioactively methyl-labelled (1)-carnitine

    International Nuclear Information System (INIS)

    Ingalls, S.T.; Hoppel, C.L.; Turkaly, J.S.

    1982-01-01

    Commercial (l)-carnitine chloride was N-demethylated by the action of sodium benzenemercaptide in warm N,N-dimethylformamide. The product 4-(N,N-dimethylammonio)-3-hydroxybutanoic acid chloride salt was isolated in good yield by ion exchange chromatography. Methylation of the product by 14 C -iodomethane in dry methanol produced biologically active 4-N-Me- 14 C -(l)-carnitine chloride of high specific activity in excellent yield. (author)

  13. Experimental vapor pressures (from 1 Pa to 100 kPa) of six saturated Fatty Acid Methyl Esters (FAMEs): Methyl hexanoate, methyl octanoate, methyl decanoate, methyl dodecanoate, methyl tetradecanoate and methyl hexadecanoate

    International Nuclear Information System (INIS)

    Sahraoui, Lakhdar; Khimeche, Kamel; Dahmani, Abdallah; Mokbel, Ilham; Jose, Jacques

    2016-01-01

    Highlight: • Vapor-liquid equilibria, Enthalpy of Vaporization, saturated Fatty Acid Methyl Ester. - Abstract: Vapor pressures of six saturated Fatty Acid Methyl Esters (FAMEs), methyl hexanoate (or methyl caproate), methyl octanoate (or methyl caprylate), Methyl decanoate (or methyl caprate), methyl dodecanoate (or methyl laurate), methyl tetradecanoate (or methyl myristate), and methyl hexadecanoate (or methyl palmitate) were measured from 1 Pa to 100 kPa and at temperature range between 262 and 453 K using a static apparatus. The experimental data (P-T) were compared with the available literature data.

  14. Sorption phenomena of methanol on heat treated coal; Netsushori wo hodokoshita sekitan no methanol kyuchaku tokusei

    Energy Technology Data Exchange (ETDEWEB)

    Yasuda, H.; Kaiho, M.; Yamada, O.; Soneda, Y.; Kobayashi, M.; Makino, M. [National Institute for Resources and Environment, Tsukuba (Japan)

    1996-10-28

    Experiments were carried out to learn methanol sorption characteristics of heat-treated coal. When Taiheiyo coal is heat-treated at 125{degree}C, performed with a first methanol adsorption at 25{degree}C, and then desorption at 25{degree}C, a site with strong interaction with methanol and a site with relatively weak interaction are generated in test samples. A small amount of methanol remains in both sites. Then, when the methanol is desorbed at as low temperature as 70{degree}C, the methanol in the site with strong interaction remains as it has existed therein, but the methanol in the site with relatively weak interaction desorbs partially, hence the adsorption amount in a second adsorption at 25{degree}C increases. However, when desorption is performed at as high temperature as 125{degree}C, the methanol in the site with strong interaction also desorbs, resulting in increased adsorption heat in the second adsorption. The adsorption velocity drops, however. Existence of methanol in a site with strong interaction affects the adsorption velocity, but no effect is given by methanol in a site with weak interaction. 3 refs., 4 figs.

  15. Stability studies of oxytetracycline in methanol solution

    Science.gov (United States)

    Wang, Wei; Wu, Nan; Yang, Jinghui; Zeng, Ming; Xu, Chenshan; Li, Lun; Zhang, Meng; Li, Liting

    2018-02-01

    As one kind of typical tetracycline antibiotics, antibiotic residues of oxytetracycline have been frequently detected in many environmental media. In this study, the stability of oxytetracycline in methanol solution was investigated by high-performance liquid chromatography combined with UV-vis (HPLC-UV). The results show that the stability of oxytetracycline in methanol solution is highly related to its initial concentration and the preserved temperature. Under low temperature condition, the solution was more stable than under room temperature preservation. Under the same temperature preservation condition, high concentrations of stock solutions are more stable than low concentrations. The study provides a foundation for preserving the oxytetracycline-methanol solution.

  16. A rare presentation of methanol toxicity

    Directory of Open Access Journals (Sweden)

    Nikhil Gupta

    2013-01-01

    Full Text Available Methanol is a highly toxic alcohol resembling ethanol in smell and taste. Methanol poisoning is a lethal form of poisoning that can cause severe metabolic acidosis, visual disturbances, and neurological deficit. Brain lesions typically described in methanol toxicity are in the form of hemorrhagic and non-hemorrhagic necrosis of the basal ganglia and sub-cortical white matter. To our knowledge, lesions in the parietal, temporal, or frontal areas of cerebrum and cerebellar hemispheres have been rarely reported so far. We herewith report this rare presentation.

  17. Quantitative determination of conjugated linoleic acid and polyunsaturated fatty acids in milk with C17 as internal marker – Evaluation of different methylation procedures

    DEFF Research Database (Denmark)

    Lashkari, Saman; Jensen, Søren Krogh

    2017-01-01

    in the methylation steps, as they are sensitive to pH changes and oxidation. The present study was carried out to determine the efficiency of different methylation procedures on quantitative determination of conjugated linoleic acid (CLA), PUFA and response of internal standard. The highest response of internal...... standard was observed for boron trifluoride (BF3)/methanol and methanolic HCl followed by NaOCH3, while cis-9, trans-11 CLA, total CLA and PUFA was higher with methanolic HCl followed by NaOCH3 compared with the BF3 method. These data can be useful for quantitating of milk FA....

  18. Imaging sequential dehydrogenation of methanol on Cu(110) with a scanning tunneling microscope.

    Science.gov (United States)

    Kitaguchi, Y; Shiotari, A; Okuyama, H; Hatta, S; Aruga, T

    2011-05-07

    Adsorption of methanol and its dehydrogenation on Cu(110) were studied by using a scanning tunneling microscope (STM). Upon adsorption at 12 K, methanol preferentially forms clusters on the surface. The STM could induce dehydrogenation of methanol sequentially to methoxy and formaldehyde. This enabled us to study the binding structures of these products in a single-molecule limit. Methoxy was imaged as a pair of protrusion and depression along the [001] direction. This feature is fully consistent with the previous result that it adsorbs on the short-bridge site with the C-O axis tilted along the [001] direction. The axis was induced to flip back and forth by vibrational excitations with the STM. Two configurations were observed for formaldehyde, whose structures were proposed based on their characteristic images and motions.

  19. Analogues of amphibian alkaloids: total synthesis of (5R,8S,8aS-(--8-methyl-5-pentyloctahydroindolizine (8-epi-indolizidine 209B and [(1S,4R,9aS-(--4-pentyloctahydro-2H-quinolizin-1-yl]methanol

    Directory of Open Access Journals (Sweden)

    de Koning Charles B

    2008-01-01

    Full Text Available Abstract Background Prior work from these laboratories has centred on the development of enaminones as versatile intermediates for the synthesis of alkaloids and other nitrogen-containing heterocycles. In this paper we describe the enantioselective synthesis of indolizidine and quinolizidine analogues of bicyclic amphibian alkaloids via pyrrolidinylidene- and piperidinylidene-containing enaminones. Results Our previously reported synthesis of racemic 8-epi-indolizidine 209B has been extended to the laevorotatory enantiomer, (--9. Attempts to adapt the synthetic route in order to obtain quinolizidine analogues revealed that a key piperidinylidene-containing enaminone intermediate (+-28 was less tractable than its pyrrolidinylidene counterpart, thereby necessitating modifications that included timing changes and additional protection-deprotection steps. A successful synthesis of [(1S,4R,9aS-4-pentyloctahydro-2H-quinolizin-1-yl]methanol (--41 from the chiral amine tert-butyl (3R-3-{benzyl [(1R-1-phenylethyl]amino}octanoate (+-14 was achieved in 14 steps and an overall yield of 20.4%. Conclusion The methodology reported in this article was successfully applied to the enantioselective synthesis of the title compounds. It paves the way for the total synthesis of a range of cis-5,8-disubstituted indolizidines and cis-1,4-disubstituted quinolizidines, as well as the naturally occurring trans-disubstituted alkaloids.

  20. Molecule Matters van der Waals Molecules

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 14; Issue 12. Molecule Matters van der Waals Molecules - Noble Gas Clusters are London Molecules! E Arunan. Feature Article Volume 14 Issue 12 December 2009 pp 1210-1222 ...

  1. World scale fuel methanol facility siting

    International Nuclear Information System (INIS)

    Stapor, M.C.; Hederman, W.F.

    1990-01-01

    Since the Administration announced a clean alternative fuels initiative, industry and government agencies' analyses of the economics of methanol as an alternative motor vehicle fuel have accelerated. In the short run, methanol appears attractive because excess production capacity currently has depressed methanol prices and marginal costs of production are lower than other fuels (current excess capacity). In the long run, however, full costs are the more relevant. To lower average production costs, U.S. policy interest has focused on production from a world-scale, 10,000 tons per day (tpd) methanol plant facility on a foreign site. This paper reviews several important site and financial considerations in a framework to evaluate large scale plant development. These considerations include: risks associated with a large process plant; supply economics of foreign sites; and investment climates and financial incentives for foreign investment at foreign sites

  2. Regulatory aspects of methanol metabolism in yeasts

    International Nuclear Information System (INIS)

    Trotsenko, Y.A.; Bystrykh, L.V.; Ubiyvovk, V.M.

    1984-01-01

    Formaldehyde is the first and key intermediate in the metabolism of methylotrophic yeasts since it stands at a branch point of pathways for methanol oxidation and assimilation. Methanol and, formaldehyde are toxic compounds which severely affect the growth rate, yield coefficient, etc., of yeasts. Two questions arise when considering regulation of methanol metabolism in yeasts how a nontoxic level of formaldehyde is maintained in the cell and how the formaldehyde flow is distributed into oxidation and assimilation. To answer these questions we studied the role of GSH, which spontaneously binds formaldehyde, yielding S-hydroxymethylglutathione; in vivo rates of formaldehyde dissimilation and assimilation by using [ 14 C]methanol; profiles of enzymes responsible for production and utilization of formaldehyde; and levels of metabolites affecting dissimilation and assimilation of formaldehyde. All of the experiments were carried out with the methylotrophic yeast Candida boidinii KD1. 19 refs., 4 figs., 1 tab

  3. Advances in direct oxidation methanol fuel cells

    Science.gov (United States)

    Surampudi, S.; Narayanan, S. R.; Vamos, E.; Frank, H.; Halpert, G.; Laconti, Anthony B.; Kosek, J.; Prakash, G. K. Surya; Olah, G. A.

    1993-01-01

    Fuel cells that can operate directly on fuels such as methanol are attractive for low to medium power applications in view of their low weight and volume relative to other power sources. A liquid feed direct methanol fuel cell has been developed based on a proton exchange membrane electrolyte and Pt/Ru and Pt catalyzed fuel and air/O2 electrodes, respectively. The cell has been shown to deliver significant power outputs at temperatures of 60 to 90 C. The cell voltage is near 0.5 V at 300 mA/cm(exp 2) current density and an operating temperature of 90 C. A deterrent to performance appears to be methanol crossover through the membrane to the oxygen electrode. Further improvements in performance appear possible by minimizing the methanol crossover rate.

  4. Phytochemical screening and antiproliferative effects of methanol ...

    African Journals Online (AJOL)

    Preliminary Phytochemical screening. Thin layer chromatographic profile (TLC) of methanol crude extract and antiproliferative studies were carried out in this research. Phytochemical screening revealed the presence of carbohydrate, glycoside, anthraquinone, steroid, triterpenes, saponin, tannins, flavonoids and alkaloid.

  5. Increase of methanol in exhaled breath quantified by SIFT-MS following aspartame ingestion.

    Science.gov (United States)

    Španěl, Patrik; Dryahina, Kseniya; Vicherková, Petra; Smith, David

    2015-11-19

    Aspartame, methyl-L-α-aspartyl-L-phenylalaninate, is used worldwide as a sweetener in foods and drinks and is considered to be safe at an acceptable daily intake (ADI) of 40 mg per kg of body weight. This compound is completely hydrolyzed in the gastrointestinal tract to aspartic acid, phenylalanine and methanol, each being toxic at high levels. The objective of the present study was to quantify the volatile methanol component in the exhaled breath of ten healthy volunteers following the ingestion of a single ADI dose of aspartame. Direct on-line measurements of methanol concentration were made in the mouth and nose breath exhalations using selected ion flow tube mass spectrometry, SIFT-MS, several times before aspartame ingestion in order to establish individual pre-dose (baseline) levels and then during two hours post-ingestion to track their initial increase and subsequent decrease. The results show that breath methanol concentrations increased in all volunteers by 1082   ±   205 parts-per-billion by volume (ppbv) from their pre-ingestion values, which ranged from 193 to 436 ppbv to peak values ranging from 981-1622 ppbv, from which they slowly decreased. These observations agree quantitatively with a predicted increase of 1030 ppbv estimated using a one-compartment model of uniform dilution of the methanol generated from a known amount of aspartame throughout the total body water (including blood). In summary, an ADI dose of aspartame leads to a 3-6 fold increase of blood methanol concentration above the individual baseline values.

  6. Catalytic performance of heterogeneous Rh/C3N4 for the carbonylation of methanol

    Science.gov (United States)

    Budiman, Anatta Wahyu; Choi, Myoung Jae; Nur, Adrian

    2018-02-01

    The excess of water in homogeneous the carbonylation of methanol system could increase the amount of by-products formed through water-gas shift reaction and could accelerate the rusting of equipment. Many scientists tried to decrease the content of water in the carbonylation of methanol system by using lithium and iodide promoter that results a moderate catalytic activity in the water content at 2wt%. The heterogenized catalyst offers several distinct advantages such as it was enables increased catalyst concentration in the reaction mixture, which is directly proportional to acetic acid production rate, without the addition of an alkali iodide salt promoter. The heterogeneous catalyst also results in reduced by-product formation. This study is aimed to produce a novel catalyst (Rh/C3N4) with a high selectivity of acetic acid in a relatively lower water and halide content. This novel catalyst performs high conversion and selectivity of acetic acid as the result of the strong ionic bonding of melamine and rhodium complex species that was caused by the presence of methyl iodide species. The CO2 in feed gas significantly decreases the catalytic activity of Rh-melamine because of its inert characteristics. The kinetic test was performed as that the first order kinetic equation. The kinetic tests revealed the reaction route of the the carbonylation of methanol in this system was performed trough the methyl acetate.

  7. Methanol plant ship: Appendix. Export trade information

    International Nuclear Information System (INIS)

    1988-01-01

    The document is an appendix to the final report on a proposed methanol plant ship off of the coast of Trinidad. The document incorporates the results of the redetermination of capital required to implement the project. It also presents a revised cost analysis, with better accuracy, for the project. The projected operating revenues and revised expenses are also given. As a continuation of the information presented in the final report, the methanol market and proposed products are discussed in the report

  8. Comparative Neuropharmacological Activities Methanolic Extracts of ...

    African Journals Online (AJOL)

    Comparative neuropharmacological efficacy of the leaf and root 70 % methanol extract of Cissus cornifolia was studied in mice. The extractive values of the leaf and root methanol extract was found to be 31.5 g with yield of 12.6 %(w/w) and 37.8 g with the yield of 15.12 %(w/w) respectively. The acute toxicity (LD50) values ...

  9. Synthesis of racemic [methyl-d3]-labeled cis- and trans-3'-hydroxycotinine

    International Nuclear Information System (INIS)

    Ravard, A.; Crooks, P.A.

    1994-01-01

    A method is described for the synthesis of the racemic [methyl-d 3 ] forms of the nicotine metabolites cis-3'-hydroxycotinine and trans-3'-hydroxycotinine. The key intermediate was [methyl-d 3 ]-N-methylhydroxylamine, obtained from a selective hydrogenation of d 3 -nitro-methane. This intermediate was converted to [methyl-d 3 ]-α-3-pyridyl-N-methylnitrone, which was condensed with methyl acrylate to give a mixture of isomeric isoxazolidines. The hydrogenolysis of this mixture afforded a 70:30 mixture of [methyl-d 3 ] cis- and trans-3'-hydroxycotinine, from which the pure cis-isomer could be isolated by recrystallization from acetone. [Methyl-d 3 ]-trans-3'-hydroxycotinine could be prepared in high yield from the cis-isomer via chiral inversion utilizing a Mitsunobu reaction, or by chromatographic separation from a mixture of the cis- and trans-3'-benzoyloxycotinine, followed by O-debenzoylation in methanolic NaOH. (author)

  10. Vacuum-ultraviolet (VUV) photoionization of small methanol and methanol-water clusters

    International Nuclear Information System (INIS)

    Ahmed, Musahid; Ahmed, Musahid; Wilson, Kevin R.; Belau, Leonid; Kostko, Oleg

    2008-01-01

    In this work we report on the vacuum-ultraviolet (VUV) photoionization of small methanol and methanol-water clusters. Clusters of methanol with water are generated via co-expansion of the gas phase constituents in a continuous supersonic jet expansion of methanol and water seeded in Ar. The resulting clusters are investigated by single photon ionization with tunable vacuum ultraviolet synchrotron radiation and mass analyzed using reflectron mass spectrometry. Protonated methanol clusters of the form (CH3OH)nH + (n=1-12) dominate the mass spectrum below the ionization energy of the methanol monomer. With an increase in water concentration, small amounts of mixed clusters of the form (CH3OH)n(H2O)H + (n=2-11) are detected. The only unprotonated species observed in this work are the methanol monomer and dimer. Appearance energies are obtained from the photoionization efficiency (PIE) curves for CH3OH +, (CH 3OH)2 +, (CH3OH)nH + (n=1-9), and (CH 3OH)n(H2O)H + (n=2-9 ) as a function of photon energy. With an increase in the water content in the molecular beam, there is an enhancement of photoionization intensity for methanol dimer and protonated methanol monomer at threshold. These results are compared and contrasted to previous experimental observations

  11. Methanol-Tolerant Cathode Catalyst Composite For Direct Methanol Fuel Cells

    Science.gov (United States)

    Zhu, Yimin; Zelenay, Piotr

    2006-03-21

    A direct methanol fuel cell (DMFC) having a methanol fuel supply, oxidant supply, and its membrane electrode assembly (MEA) formed of an anode electrode and a cathode electrode with a membrane therebetween, a methanol oxidation catalyst adjacent the anode electrode and the membrane, an oxidant reduction catalyst adjacent the cathode electrode and the membrane, comprises an oxidant reduction catalyst layer of a platinum-chromium alloy so that oxidation at the cathode of methanol that crosses from the anode through the membrane to the cathode is reduced with a concomitant increase of net electrical potential at the cathode electrode.

  12. Transesterification of waste vegetable oil under pulse sonication using ethanol, methanol and ethanol–methanol mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Martinez-Guerra, Edith; Gude, Veera Gnaneswar, E-mail: gude@cee.msstate.edu

    2014-12-15

    Highlights: • Pulse sonication effect on transesterification of waste vegetable oil was studied. • Effects of ethanol, methanol, and alcohol mixtures on FAMEs yield were evaluated. • Effect of ultrasonic intensity, power density, and its output rates were evaluated. • Alcohol mixtures resulted in higher biodiesel yields due to better solubility. - Abstract: This study reports on the effects of direct pulse sonication and the type of alcohol (methanol and ethanol) on the transesterification reaction of waste vegetable oil without any external heating or mechanical mixing. Biodiesel yields and optimum process conditions for the transesterification reaction involving ethanol, methanol, and ethanol–methanol mixtures were evaluated. The effects of ultrasonic power densities (by varying sample volumes), power output rates (in W), and ultrasonic intensities (by varying the reactor size) were studied for transesterification reaction with ethanol, methanol and ethanol–methanol (50%-50%) mixtures. The optimum process conditions for ethanol or methanol based transesterification reaction of waste vegetable oil were determined as: 9:1 alcohol to oil ratio, 1% wt. catalyst amount, 1–2 min reaction time at a power output rate between 75 and 150 W. It was shown that the transesterification reactions using ethanol–methanol mixtures resulted in biodiesel yields as high as >99% at lower power density and ultrasound intensity when compared to ethanol or methanol based transesterification reactions.

  13. Integrated anode structure for passive direct methanol fuel cells with neat methanol operation

    Science.gov (United States)

    Wu, Huijuan; Zhang, Haifeng; Chen, Peng; Guo, Jing; Yuan, Ting; Zheng, Junwei; Yang, Hui

    2014-02-01

    A microporous titanium plate based integrated anode structure (Ti-IAS) suitable for passive direct methanol fuel cells (DMFCs) fueled with neat methanol is reported. This anode structure incorporates a porous titanium plate as a methanol mass transfer barrier and current collector, pervaporation film for passively vaporizing methanol, vaporous methanol cavity for evenly distributing fuel, and channels for carbon dioxide venting. With the effective control of methanol delivery rate, the Ti-IAS based DMFC allows the direct use of neat methanol as the fuel source. In the meantime, the required water for methanol-oxidation reaction at the anode can also be fully recovered from the cathode with the help of the highly hydrophobic microporous layer in the cathode. DMFCs incorporating this new anode structure exhibit a power density as high as 40 mW cm-2 and a high volumetric energy density of 489 Wh L-1 operating with neat methanol and at 25 °C. Importantly, no obvious performance degradation of the passive DMFC system is observed after more than 90 h of continuous operation. The experimental results reveal that the compact DMFC based on the Ti-IAS exhibits a substantial potential as power sources for portable applications.

  14. Complex molecules in the Orion Kleinmann-Low nebula

    Directory of Open Access Journals (Sweden)

    Despois D.

    2014-02-01

    Full Text Available In the framework of the delivery to the early Earth of extraterrestrial molecules, we have studied complex molecular species toward the Orion Kleinmann-Low nebula. This nebula is rich in molecules as well as in nascent stars and planetary systems. We focus here on HCOOCH3, CH3OCH3 and deuterated methanol. Upper limits on species of prebiotic interest like glycine were also obtained.

  15. THE ZEEMAN EFFECT IN THE 44 GHZ CLASS I METHANOL MASER LINE TOWARD DR21(OH)

    Energy Technology Data Exchange (ETDEWEB)

    Momjian, E. [National Radio Astronomy Observatory, P.O. Box O, Socorro, NM 87801 (United States); Sarma, A. P., E-mail: emomjian@nrao.edu, E-mail: asarma@depaul.edu [Physics Department, DePaul University, 2219 N. Kenmore Avenue, Byrne Hall 211, Chicago, IL 60614 (United States)

    2017-01-10

    We report detection of the Zeeman effect in the 44 GHz Class I methanol maser line, toward the star-forming region DR21(OH). In a 219 Jy beam{sup −1} maser centered at an LSR velocity of 0.83 km s{sup −1}, we find a 20- σ detection of zB {sub los} = 53.5 ± 2.7 Hz. If 44 GHz methanol masers are excited at n ∼ 10{sup 7–8} cm{sup −3}, then the B versus n {sup 1/2} relation would imply, from comparison with Zeeman effect detections in the CN(1 − 0) line toward DR21(OH), that magnetic fields traced by 44 GHz methanol masers in DR21(OH) should be ∼10 mG. Combined with our detected zB {sub los} = 53.5 Hz, this would imply that the value of the 44 GHz methanol Zeeman splitting factor z is ∼5 Hz mG{sup −1}. Such small values of z would not be a surprise, as the methanol molecule is non-paramagnetic, like H{sub 2}O. Empirical attempts to determine z , as demonstrated, are important because there currently are no laboratory measurements or theoretically calculated values of z for the 44 GHz CH{sub 3}OH transition. Data from observations of a larger number of sources are needed to make such empirical determinations robust.

  16. Crystal structure of 4-hydroxy-3-methoxybenzaldehyde 4-methylthiosemicarbazone methanol monosolvate

    Directory of Open Access Journals (Sweden)

    Adriano Bof de Oliveira

    2015-05-01

    Full Text Available In the title solvate, C15H15N3O2S·CH3OH, the thiosemicarbazone molecule is approximately planar; the maximum deviation from the mean plane is 0.4659 (14 Å and the dihedral angle between the aromatic rings is 9.83 (8°. This conformation is supported by an intramolecular N—H...N hydrogen bond. In the crystal, the thiosemicarbazone molecules are linked into dimers by pairs of N—H...S hydrogen bonds, thereby generating R22(8 loops. The methanol solvent molecule bonds to the thiosemicarbazone molecule through a bifurcated O—H...(O,O hydrogen bond and also accepts an O—H...O link from the thiosemicarbazone molecule. Together, these links generate a three-dimensional network.

  17. Modelling and experimental studies on a direct methanol fuel cell working under low methanol crossover and high methanol concentrations

    Energy Technology Data Exchange (ETDEWEB)

    Oliveira, V.B.; Pinto, A.M.F.R. [Centro de Estudos de Fenomenos de Transporte, Departamento de Eng. Quimica, Faculdade de Engenharia da Universidade do Porto, Rua Dr. Roberto Frias, 4200-465 Porto (Portugal); Rangel, C.M. [Instituto Nacional de Energia e Geologia, Fuel Cells and Hydrogen, Estrada do Paco do Lumiar, 1649-038 Lisboa (Portugal)

    2009-08-15

    A number of issues need to be resolved before DMFC can be commercially viable such as the methanol crossover and water crossover which must be minimised in portable DMFCs. The main gain of this work is to systematically vary commercial MEA materials and check their influence on the cell performance of a direct methanol fuel cell operating at close to room temperature. A detailed experimental study on the performance of an <> developed DMFC with 25 cm{sup 2} of active membrane area, working near the ambient conditions is described. Tailored MEAs (membrane-electrode assemblies), with different structures and combinations of gas diffusion layers (GDLs), were designed and tested in order to select optimal working conditions at high methanol concentration levels without sacrificing performance. The experimental polarization and power density curves were successfully compared with the predictions of a steady state, one-dimensional model accounting for coupled heat and mass transfer, along with the electrochemical reactions occurring in the DMFC recently developed by the same authors. The influence of the anode gas diffusion layer media, the membrane thickness and the MEA properties on the cell performance are explained under the light of the predicted methanol crossover rate across the membrane. A tailored MEA build-up with the common available commercial materials was proposed to achieve relatively low methanol crossover, operating at high methanol concentrations. The use of adequate materials for the gas diffusion layers (carbon paper at the anode GDL and carbon cloth at the cathode GDL) enables the use of thinner membranes enhancing the water back diffusion which is essential to work at high methanol concentrations. (author)

  18. Analysis of Organic Molecules Extracted from Mars Analogues and Influence of Their Mineralogy Using N-Methyl-N-(tert-butyldimethylsilyl)Trifluoroacetamide Derivatization Coupled with Gas Chromatography Mass Spectrometry in Preparation for the Sample Analysis at Mars Derivatization Experiment on the Mars Science Laboratory Mission

    Science.gov (United States)

    Stalport, F.; Glavin, D. P.; Eigenbrode, J. L.; Bish, D.; Blake, D.; Coll, P.; Szopa, C.; Buch, A.; McAdam, A.; Dworkin, J. P.; hide

    2012-01-01

    The search for complex organic molecules on Mars, including important biomolecules such as amino acids and carboxylic acids will require a chemical extraction and derivatization step to transform these organic compounds into species that are sufficiently volatile to be detected by gas chromatography mass spectrometry (GCMS). We have developed, a one-pot extraction and chemical derivatization protocol using N-methyl-N-(tert-butyldimethylsilyl)trifluoroacetamide (MTBSTFA) and dimethylformamide (DMF) for the Sample Analysis at Mars (SAM) experiment on the Mars Science Laboratory (MSL). The temperature and duration the derivatization reaction, pre-concentration of chemical derivatives, and gas chromatographic separation parameters have been optimized under SAM instrument design constraints. MTBSTFA/DMF extraction and derivatization at 300 C for several minutes of a variety of terrestrial Mars analogue materials facilitated the detection of amino acids and carboxylic acids in a surface soil sample collected from the Atacama Desert and a carbonate-rich stromatolite sample from Svalbard. However, the rapid reaction of MTBSTFA with water in several analogue materials that contained high abundances of hydrated minerals and the possible deactivation of derivatized compounds by iron oxides, as detected by XRD/XRF using the CheMin field unit Terra, proved to be highly problematic for the direct extraction of organics using MTBSTFA, The combination of pyrolysis and two different chemical derivatization methods employed by SAM should enable a wide range of organic compounds to be detected by GCMS if present on Mars,

  19. Low temperature activation of methane over a zinc-exchanged heteropolyacid as an entry to its selective oxidation to methanol and acetic acid

    KAUST Repository

    Patil, Umesh; Saih, Youssef; Abou-Hamad, Edy; Hamieh, Ali Imad Ali; Pelletier, Jeremie; Basset, Jean-Marie

    2014-01-01

    A Zn-exchanged heteropolyacid supported onto silica (Zn-HPW/SiO2) activates methane at 25 °C into Zn-methyl. At higher temperatures and with CH4/O2 or CH4/CO2, it gives methanol and acetic acid respectively. This journal is

  20. Titanium Oxide/Platinum Catalysis: Charge Transfer from a Titanium Oxide Support Controls Activity and Selectivity in Methanol Oxidation on Platinum

    KAUST Repository

    Hervier, Antoine; Baker, L. Robert; Komvopoulos, Kyriakos; Somorjai, Gabor A.

    2011-01-01

    formaldehyde, methyl formate, and carbon dioxide. F-doped samples demonstrated significantly higher activity for methanol oxidation when the TiOx was stoichiometric (TiO 2), but lower activity when it was nonstoichiometric (TiO 1.7 and TiO1.9). These results

  1. Short-term inhalation toxicity of methanol, gasoline, and methanol/gasoline in the rat.

    Science.gov (United States)

    Poon, R; Chu, I; Bjarnason, S; Vincent, R; Potvin, M; Miller, R B; Valli, V E

    1995-01-01

    Four- to five-week-old male and female Sprague Dawley rats were exposed to vapors of methanol (2500 ppm), gasoline (3200 ppm), and methanol/gasoline (2500/3200 ppm, 570/3200 ppm) six hours per day, five days per week for four weeks. Control animals were exposed to filtered room air only. Depression in body weight gain and reduced food consumption were observed in male rats, and increased relative liver weight was detected in rats of both sexes exposed to gasoline or methanol/gasoline mixtures. Rats of both sexes exposed to methanol/gasoline mixtures had increased relative kidney weight and females exposed to gasoline and methanol/gasoline mixtures had increased kidney weight. Decreased serum glucose and cholesterol were detected in male rats exposed to gasoline and methanol/gasoline mixtures. Decreased hemoglobin was observed in females inhaling vapors of gasoline and methanol/gasoline at 570/3200 ppm. Urine from rats inhaling gasoline or methanol/gasoline mixtures had up to a fourfold increase in hippuric acid, a biomarker of exposure to the toluene constituent of gasoline, and up to a sixfold elevation in ascorbic acid, a noninvasive biomarker of hepatic response. Hepatic mixed-function oxidase (aniline hydroxylase, aminopyrine N-demethylase and ethoxyresorufin O-deethylase) activities and UDP-glucuronosyltransferase activity were elevated in rats exposed to gasoline and methanol/gasoline mixtures. Histopathological changes were confined to very mild changes in the nasal passages and in the uterus, where decreased incidence or absence of mucosal and myometrial eosinophilia was observed in females inhaling gasoline and methanol/gasoline at 570/3200 ppm. It was concluded that gasoline was largely responsible for the adverse effects, the most significant of which included depression in weight gain in the males, increased liver weight and hepatic microsomal enzyme activities in both sexes, and suppression of uterine eosinophilia. No apparent interactive effects

  2. Towards neat methanol operation of direct methanol fuel cells: a novel self-assembled proton exchange membrane.

    Science.gov (United States)

    Li, Jing; Cai, Weiwei; Ma, Liying; Zhang, Yunfeng; Chen, Zhangxian; Cheng, Hansong

    2015-04-18

    We report here a novel proton exchange membrane with remarkably high methanol-permeation resistivity and excellent proton conductivity enabled by carefully designed self-assembled ionic conductive channels. A direct methanol fuel cell utilizing the membrane performs well with a 20 M methanol solution, very close to the concentration of neat methanol.

  3. Direct aerobic oxidation of primary alcohols to methyl esters catalyzed by a heterogeneous gold catalyst

    DEFF Research Database (Denmark)

    Nielsen, Inger Staunstrup; Taarning, Esben; Egeblad, Kresten

    2007-01-01

    Methyl esters can be produced in high yield by oxidising methanolic solutions of primary alcohols with dioxygen over a heterogeneous gold catalyst. The versatility of this new methodology is demonstrated by the fact that alkylic, benzylic and allylic alcohols, as well as alcohols containing...

  4. The Effect of Acetone Amount Ratio as Co-Solvent to Methanol in Transesterification Reaction of Waste Cooking Oil

    Science.gov (United States)

    Julianto, T. S.; Nurlestari, R.

    2018-04-01

    The production of biodiesel from waste cooking oil by transesterification reaction using acetone as co-solvent has been carried out. This research studied the optimal amount ratio of acetone as co-solvent to methanol in the transesterification process using homogeneous alkaline catalyst KOH 1% (w/w) of waste cooking oil at room temperature for 15 minutes of reaction time. Mole ratio of waste cooking oil to methanol is 1:12. Acetone was added as co-solvent in varied amount ratio to methanol are 1:4, 1:2, and 1:1, respectively. The results of fatty acid methyl esters (FAME) were analysed using GC-MS instrument. The results showed that the optimal ratio is 1:4 with 99.93% of FAME yield.

  5. Photodissociation of Cr(CO) within methanol clusters: Observation of an isotope effect

    International Nuclear Information System (INIS)

    Peifer, W.R.; Garvey, J.F.

    1991-01-01

    Mixed van der Waals clusters containing Cr(CO) 6 and methanol are generated in the free-jet expansion of a pulsed beam of seeded helium and subjected to 248-nm multiphoton ionization (MPI), and the product ions are analyzed by time-of-flight mass spectrometry. The authors find that the multiphoton dissociation and ionization dynamics of solvated Cr(CO) 6 are strikingly different from those of the naked molecule. Two principle sequences of heterocluster ions are identified in the mass spectrum: a minor sequence with the empirical formula, S n Cr(CO) x + (x = 5,6), where S is a methanol molecule, and a major sequence with the empirical formula, S n Cr(CO) x + (x = 0,1,2). Implications are discussed regarding the general utility of MPI as a probe of the electronic structure and reactivity within van der Waals clusters

  6. 2,9-Dimethyl-1,10-phenanthrolin-1-ium tetrachloridoferrate(III methanol monosolvate

    Directory of Open Access Journals (Sweden)

    Ehsan Bahojb Noruzi

    2012-07-01

    Full Text Available In the title compound, (C14H13N2[FeCl4]·CH3OH, the 2,9-dimethyl-1,10-phenanthrolin-1-ium cation, FeCl4− anion and methanol solvent molecule lie on a twofold rotation axis. Due to symmetry, the H atom on the N atom of the cation is half-occupied. In the anion, the FeIII atom has a tetrahedral geometry. H atoms of the methanol molecule are disordered over two sets of sites around the twofold axis. In the crystal, π–π contacts between the pyridine rings and between the pyridine and benzene rings [centroid–centroid distances = 3.6535 (16 and 3.5522 (17 Å] and intermolecular O—H...N and N—H...O hydrogen bonds stabilize the structure.

  7. Process parameters optimization for synthesis of methyl ester from sunflower oil using Taguchi technique

    Directory of Open Access Journals (Sweden)

    G. Senthilkumar

    2014-09-01

    Full Text Available In this work, transesterification of sunflower oil for obtaining biodiesel was studied. Taguchi’s methodology (L9 orthogonal array was selected to optimize the most significant variables (methanol, catalyst concentration and stirrer speed in transesterification process. Experiments have conducted based on development of L9 orthogonal array by using Taguchi technique. Analysis of Variance (ANOVA and the regression equations were used to find the optimum yield of sunflower methyl ester under the influence of methanol, catalyst & stirrer speed. The study resulted in a maximum yield of sun flower methyl ester as 96% with the optimal conditions of methanol 110 ml with 0.5% by wt. of sodium hydroxide (NaOH stirred at 1200 rpm. The yield was analyzed on the basis of “larger is better”. Finally, confirmation tests were carried out to verify the experimental results.

  8. Evaporation and condensation at a liquid methanol surface

    Science.gov (United States)

    Matsumoto, Mitsuhiro; Yasuoka, Kenji; Kataoka, Yosuke

    1994-07-01

    The dynamics of evaporation and condensation at a flat liquid surface of methanol were studied under the liquidvapor equilibrium condition at room temperature with molecular dynamics computer simulation techniques. Analysis of molecular trajectories shows that the condensation coefficient is 89%. It suggests that only a tenth of incident vapor molecules are reflected at the liquid surface, contrary to a prediction of a classical transition state theory. To investigate the potential barrier of the evaporation-condensation process, a particle insertion method was applied and the local chemical potential near the surface was evaluated. The calculated chemical potential is constant in the whole region including the surface layer and no potential barrier is observed in the vincinity of the surface, which casts strong doubt on the explanation of a transition state theory.

  9. Angle-resolved photoelectron spectroscopy of formaldehyde and methanol

    Science.gov (United States)

    Keller, P. R.; Taylor, J. W.; Grimm, F. A.; Carlson, Thomas A.

    1984-10-01

    Angle-resolved photoelectron spectroscopy was employed to obtain the angular distribution parameter, β, for the valence orbitals (IP < 21.1 eV) of formaldehyde and methanol over the 10-30 eV photon energy range using dispersed polarized synchrotron radiation as the excitation source. It was found that the energy dependence of β in the photoelectron energy range between 2 and 10 eV can be related to the molecular-orbital type from which ionization occurs. This generalized energy behavior is discussed with regard to earlier energy-dependence studies on molecules of different orbital character. Evidence is presented for the presence of resonance photoionization phenomena in formaldehyde in agreement with theoretical cross-section calculations.

  10. Interaction parameters of poly(vinyl methyl ether) in 2-propanol-water mixture as determined by small-angle neutron scattering

    International Nuclear Information System (INIS)

    Takada, Masako; Kurita, Kimio; Okano, Koji; Furusaka, Michihiro.

    1994-01-01

    The small-angle neutron scattering from semidilute solutions of poly(vinyl methyl ether)(PVME) in a 2-propanol-water mixture has been measured, the volume concentration of 2-propanol in the aqueous solvent being 10%, in the temperature range just below the lower critical solution temperature(LCST). The binary and ternary cluster integrals of polymer segments were determined from the concentration dependence of the correlation length at each temperature. We have calculated the contribution of segment-segment interaction to the entropy, S int and enthalpy, U int from the measured temperature dependences of these interaction parameters and found that both values are positive in accordance with the previously measured PVME-water system and PVME-(water+methanol) system. However, the value of S int for PVME-(water+2-propanol) system is larger than that for PVME-(water+methanol) system having the same alcohol concentration, and it is even larger than that for PVME-water system. This anomalous behavior is explained as due to the preferential solvation of 2-propanol molecules to the segments of PVME. (author)

  11. A selective electrocatalyst-based direct methanol fuel cell operated at high concentrations of methanol.

    Science.gov (United States)

    Feng, Yan; Liu, Hui; Yang, Jun

    2017-06-01

    Owing to the serious crossover of methanol from the anode to the cathode through the polymer electrolyte membrane, direct methanol fuel cells (DMFCs) usually use dilute methanol solutions as fuel. However, the use of high-concentration methanol is highly demanded to improve the energy density of a DMFC system. Instead of the conventional strategies (for example, improving the fuel-feed system, membrane development, modification of electrode, and water management), we demonstrate the use of selective electrocatalysts to run a DMFC at high concentrations of methanol. In particular, at an operating temperature of 80°C, the as-fabricated DMFC with core-shell-shell Au@Ag 2 S@Pt nanocomposites at the anode and core-shell Au@Pd nanoparticles at the cathode produces a maximum power density of 89.7 mW cm -2 at a methanol feed concentration of 10 M and maintains good performance at a methanol concentration of up to 15 M. The high selectivity of the electrocatalysts achieved through structural construction accounts for the successful operation of the DMFC at high concentrations of methanol.

  12. A selective electrocatalyst–based direct methanol fuel cell operated at high concentrations of methanol

    Science.gov (United States)

    Feng, Yan; Liu, Hui; Yang, Jun

    2017-01-01

    Owing to the serious crossover of methanol from the anode to the cathode through the polymer electrolyte membrane, direct methanol fuel cells (DMFCs) usually use dilute methanol solutions as fuel. However, the use of high-concentration methanol is highly demanded to improve the energy density of a DMFC system. Instead of the conventional strategies (for example, improving the fuel-feed system, membrane development, modification of electrode, and water management), we demonstrate the use of selective electrocatalysts to run a DMFC at high concentrations of methanol. In particular, at an operating temperature of 80°C, the as-fabricated DMFC with core-shell-shell Au@Ag2S@Pt nanocomposites at the anode and core-shell Au@Pd nanoparticles at the cathode produces a maximum power density of 89.7 mW cm−2 at a methanol feed concentration of 10 M and maintains good performance at a methanol concentration of up to 15 M. The high selectivity of the electrocatalysts achieved through structural construction accounts for the successful operation of the DMFC at high concentrations of methanol. PMID:28695199

  13. Methanol utilizing Desulfotomaculum species utilizes hydrogen in a methanol-fed sulfate-reducing bioreactor

    NARCIS (Netherlands)

    Balk, M.; Weijma, J.; Goorissen, H.P.; Ronteltap, M.; Hansen, T.A.; Stams, A.J.M.

    2007-01-01

    A sulfate-reducing bacterium, strain WW1, was isolated from a thermophilic bioreactor operated at 65 degrees C with methanol as sole energy source in the presence of sulfate. Growth of strain WW1 on methanol or acetate was inhibited at a sulfide concentration of 200 mg l(-1), while on H-2/CO2, no

  14. Reactions of guanine with methyl chloride and methyl bromide: O6-methylation versus charge transfer complex formation

    Science.gov (United States)

    Shukla, P. K.; Mishra, P. C.; Suhai, S.

    Density functional theory (DFT) at the B3LYP/6-31+G* and B3LYP/AUG-cc-pVDZ levels was employed to study O6-methylation of guanine due to its reactions with methyl chloride and methyl bromide and to obtain explanation as to why the methyl halides cause genotoxicity and possess mutagenic and carcinogenic properties. Geometries of the various isolated species involved in the reactions, reactant complexes (RCs), and product complexes (PCs) were optimized in gas phase. Transition states connecting the reactant complexes with the product complexes were also optimized in gas phase at the same levels of theory. The reactant complexes, product complexes, and transition states were solvated in aqueous media using the polarizable continuum model (PCM) of the self-consistent reaction field theory. Zero-point energy (ZPE) correction to total energy and the corresponding thermal energy correction to enthalpy were made in each case. The reactant complexes of the keto form of guanine with methyl chloride and methyl bromide in water are appreciably more stable than the corresponding complexes involving the enol form of guanine. The nature of binding in the product complexes was found to be of the charge transfer type (O6mG+ · X-, X dbond Cl, Br). Binding of HCl, HBr, and H2O molecules to the PCs obtained with the keto form of guanine did not alter the positions of the halide anions in the PCs, and the charge transfer character of the PCs was also not modified due to this binding. Further, the complexes obtained due to the binding of HCl, HBr, and H2O molecules to the PCs had greater stability than the isolated PCs. The reaction barriers involved in the formation of PCs were found to be quite high (?50 kcal/mol). Mechanisms of genotoxicity, mutagenesis and carcinogenesis caused by the methyl halides appear to involve charge transfer-type complex formation. Thus the mechanisms of these processes involving the methyl halides appear to be quite different from those that involve the

  15. An Optoelectronic Sensor Configuration Using ZnO Thick Film for Detection of Methanol

    Directory of Open Access Journals (Sweden)

    Shobhna DIXIT

    2007-08-01

    Full Text Available In the present paper sensitivity of a nanocrystalline ZnO thick film to methanol vapors is reported. The sensing mechanism is the modulation in the intensity of light reflected from glass film interface. Modulation occurs due to the change in refractive index of ZnO film upon adsorption of vapor molecules. The film has been characterized by XRD, SEM, and optical transmission studies. XRD pattern reveals polycrystalline structure of the film with grain size 33.5 nm.

  16. The effects of methanol on the trapping of volatile ice components

    OpenAIRE

    Burke, Daren J; Brown, Wendy A

    2015-01-01

    The evaporation of icy mantles, which have been formed on the surface of dust grains, is acknowledged to give rise to the rich chemistry that has been observed in the vicinity of hot cores and corinos. It has long been established that water ice is the dominant species within many astrophysical ices. However, other molecules found within astrophysical ices, particularly methanol, can influence the desorption of volatile species from the ice. Here we present a detailed investigation of the ads...

  17. Total electron scattering cross sections for methanol and ethanol at intermediate energies

    International Nuclear Information System (INIS)

    Silva, D G M; Tejo, T; Lopes, M C A; Muse, J; Romero, D; Khakoo, M A

    2010-01-01

    Absolute total cross section (TCS) measurements of electron scattering from gaseous methanol and ethanol molecules are reported for impact energies from 60 to 500 eV, using the linear transmission method. The attenuation of intensity of a collimated electron beam through the target volume is used to determine the absolute TCS for a given impact energy, using the Beer-Lambert law to first approximation. Besides these experimental measurements, we have also determined TCS using the additivity rule.

  18. Active sites in the alkylation of toluene with methanol : a study by selective acid-base poisoning

    NARCIS (Netherlands)

    Borgna, A.; Sepulveda, J.; Magni, S.I.; Apesteguia, C.R.

    2004-01-01

    Selective acid–base poisoning of the alkylation of toluene with methanol was studied over alkali and alkaline-earth exchanged Y zeolites. Surface acid–base properties of the samples were determined by infrared spectroscopy using carbon dioxide and pyridine as probe molecules. Selective poisoning

  19. Formation and Atmosphere of Complex Organic Molecules of the HH 212 Protostellar Disk

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Chin-Fei; Ho, Paul T. P.; Hirano, Naomi; Shang, Hsien [Academia Sinica Institute of Astronomy and Astrophysics, P.O. Box 23-141, Taipei 106, Taiwan (China); Li, Zhi-Yun [Astronomy Department, University of Virginia, Charlottesville, VA 22904 (United States); Zhang, Qizhou, E-mail: cflee@asiaa.sinica.edu.tw [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States)

    2017-07-01

    HH 212 is a nearby (400 pc) Class 0 protostellar system recently found to host a “hamburger”-shaped dusty disk with a radius of ∼60 au, deeply embedded in an infalling-rotating flattened envelope. We have spatially resolved this envelope-disk system with the Atacama Large Millimeter/submillimeter Array at up to ∼16 au (0.″04) resolution. The envelope is detected in HCO{sup +} J = 4–3 down to the dusty disk. Complex organic molecules (COMs) and doubly deuterated formaldehyde (D{sub 2}CO) are detected above and below the dusty disk within ∼40 au of the central protostar. The COMs are methanol (CH{sub 3}OH), deuterated methanol (CH{sub 2}DOH), methyl mercaptan (CH{sub 3}SH), and formamide (NH{sub 2}CHO, a prebiotic precursor). We have modeled the gas kinematics in HCO{sup +} and COMs and found a centrifugal barrier (CB) at a radius of ∼44 au, within which a Keplerian rotating disk is formed. This indicates that HCO{sup +} traces the infalling-rotating envelope down to the CB and COMs trace the atmosphere of a Keplerian rotating disk within the CB. The COMs are spatially resolved for the first time, both radially and vertically, in the atmosphere of a disk in the earliest, Class 0 phase of star formation. Our spatially resolved observations of COMs favor their formation in the disk rather than a rapidly infalling (warm) inner envelope. The abundances and spatial distributions of the COMs provide strong constraints on models of their formation and transport in low-mass star formation.

  20. Formaldehyde formation in coupled oxidation of methane and methanol over V2O5 and MoO3 silica supported catalysts

    International Nuclear Information System (INIS)

    Lojewska, J.; Makowski, W.; Fajardo Farre, A.; Dziembaj, R.

    2003-01-01

    The effect of methanol on partial oxidation of methane has been studied on standard molybdena and vanadia catalysts supported on silica. Prior to catalytic tests the catalysts were characterized by BET, SEM/EDAX and TPR/O methods. Three types of catalytic tests were performed giving temperature and contact time dependence on the catalyst activity and selectivity: partial oxidations of methane, methanol and methane/methanol mixtures. The methanol showed an activating impact on the partial oxidation of methane over all used catalysts samples, but the strongest one over Mo 3 /SiO 2 . In the absence of CH 3 OH the only catalyst, which exhibited HCHO selectivity, was low loaded vanadia catalyst. It has been put forward that methanol may enhance formation of oxygen active species, prerequisites for activating methane molecules, through reducing vanadia cations and causing breakage of vanadium oxygen bonds. (author)

  1. Methyl (Sp-2-(diphenylphosphinoferrocene-1-carboxylate

    Directory of Open Access Journals (Sweden)

    Petr Štěpnička

    2009-10-01

    Full Text Available The title compound, [Fe(C5H5(C19H16O2P], obtained serendipitously during recrystallization of 1-hydroxybenzotriazolyl (Sp-2-(diphenylphosphinoferrocene-1-carboxylate from methanol, crystallizes in the chiral space group P212121. Its crystal structure not only confirms the anticipated absolute configuration but also establishes a rather regular geometry for the ferrocene unit, devoid of any significant deformation due to the attached substituents. In the crystal, symmetry-related molecules are linked via weak C—H...O interactions.

  2. Information Thermodynamics of Cytosine DNA Methylation.

    Directory of Open Access Journals (Sweden)

    Robersy Sanchez

    Full Text Available Cytosine DNA methylation (CDM is a stable epigenetic modification to the genome and a widespread regulatory process in living organisms that involves multicomponent molecular machines. Genome-wide cytosine methylation patterning participates in the epigenetic reprogramming of a cell, suggesting that the biological information contained within methylation positions may be amenable to decoding. Adaptation to a new cellular or organismal environment also implies the potential for genome-wide redistribution of CDM changes that will ensure the stability of DNA molecules. This raises the question of whether or not we would be able to sort out the regulatory methylation signals from the CDM background ("noise" induced by thermal fluctuations. Here, we propose a novel statistical and information thermodynamic description of the CDM changes to address the last question. The physical basis of our statistical mechanical model was evaluated in two respects: 1 the adherence to Landauer's principle, according to which molecular machines must dissipate a minimum energy ε = kBT ln2 at each logic operation, where kB is the Boltzmann constant, and T is the absolute temperature and 2 whether or not the binary stretch of methylation marks on the DNA molecule comprise a language of sorts, properly constrained by thermodynamic principles. The study was performed for genome-wide methylation data from 152 ecotypes and 40 trans-generational variations of Arabidopsis thaliana and 93 human tissues. The DNA persistence length, a basic mechanical property altered by CDM, was estimated with values from 39 to 66.9 nm. Classical methylome analysis can be retrieved by applying information thermodynamic modelling, which is able to discriminate signal from noise. Our finding suggests that the CDM signal comprises a language scheme properly constrained by molecular thermodynamic principles, which is part of an epigenomic communication system that obeys the same thermodynamic

  3. Methanol from biomass by partial oxidation

    International Nuclear Information System (INIS)

    Anon.

    1989-01-01

    The advantages of methanol should grow when petroleum again becomes scarce and expensive. An active program should be continued to develop technology and resolve outstanding questions. Some of the elements of this program included in this paper are: Make design studies and more accurate cost estimates for the largest plant. The increased size of this plant over the small plant studied by S and W should result in improved methanol yield and better energy efficiency. Continue development of the SERI biomass gasifier for a better understanding of design and operating parameters, for design of larger units, for higher operating pressures, and for gasification of Hawaiian woods and agricultural wastes. An earlier gasifier test bed in Hawaii is very desirable. Develop a plan to build successfully larger methanol plants in Hawaii to provide the basis for a large plant. Develop a plan for large-scale production of biomass in the islands. Elements of the plan might include technical (types of trees, maximizing wood per acre, and harvesting processes), economic (price to be paid for the biomass), social, cultural, and political factors. Develop a plan to convert liquid fuel users to methanol and begin implementing the plan as the initial small plants supply methanol. Develop an overall plant to integrate the various parts of the program covered above

  4. Exploring molecular complexity with ALMA (EMoCA): Deuterated complex organic molecules in Sagittarius B2(N2)

    Science.gov (United States)

    Belloche, A.; Müller, H. S. P.; Garrod, R. T.; Menten, K. M.

    2016-03-01

    Context. Deuteration is a powerful tracer of the history of the cold prestellar phase in star-forming regions. Apart from methanol, little is known about deuterium fractionation of complex organic molecules in the interstellar medium, especially in regions forming high-mass stars. Aims: Our goal is to detect deuterated complex organic molecules toward the high mass star-forming region Sagittarius B2 (Sgr B2) and derive the level of deuteration for these molecules. Methods: We use a complete 3-mm spectral line survey performed with the Atacama Large Millimeter/submillimeter Array (ALMA) to search for deuterated complex organic molecules toward the hot molecular core Sgr B2(N2). We constructed population diagrams and integrated intensity maps to fit rotational temperatures and emission sizes for each molecule. Column densities are derived by modeling the full spectrum under the assumption of local thermodynamic equilibrium. We compare the results to predictions of two astrochemical models that treat the deuteration process. Results: We report the detection of CH2DCN toward Sgr B2(N2) with a deuteration level of 0.4%, and tentative detections of CH2DOH, CH2DCH2CN, the chiral molecule CH3CHDCN, and DC3N with levels in the range 0.05%-0.12%. A stringent deuteration upper limit is obtained for CH3OD (cyanide, the four deuterated species of ethanol, and CH2DOCHO. Ethyl cyanide is less deuterated than methyl cyanide by at least a factor five. The [CH2DOH]/[CH3OD] abundance ratio is higher than 1.8. It may still be consistent with the value obtained in Orion KL. Except for methyl cyanide, the measured deuteration levels lie at least a factor four below the predictions of current astrochemical models. The deuteration levels in Sgr B2(N2) are also lower than in Orion KL by a factor of a few up to a factor ten. Conclusions: The discrepancy between the deuteration levels of Sgr B2(N2) and the predictions of chemical models, and the difference between Sgr B2(N2) and Orion KL may

  5. Crystal structure of (E-13-{4-[(Z-2-cyano-2-(3,4,5-trimethoxyphenylethenyl]phenyl}parthenolide methanol hemisolvate

    Directory of Open Access Journals (Sweden)

    Narsimha Reddy Penthala

    2014-10-01

    Full Text Available The title compound, C33H35NO6 [systematic name: (Z-3-(4-{(E-[(E-1a,5-dimethyl-9-oxo-2,3,7,7a-tetrahydrooxireno[2′,3′:9,10]cyclodeca[1,2-b]furan-8(1aH,6H,9H,10aH,10bH-ylidene]methyl}phenyl-2-(3,4,5-trimethoxyphenylacrylonitrile methanol hemisolvate], C33H35NO6·0.5CH3OH, was prepared by the reaction of (Z-3-(4-iodophenyl-2-(3,4,5-trimethoxyphenylacrylonitrile with parthenolide [systematic name: (E-1a,5-dimethyl-8-methylene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[2′,3′:9,10]cyclodeca[1,2-b]furan-9(1aH-one] under Heck reaction conditions. The molecule is built up from fused ten-, five- (lactone and three-membered (epoxide rings with a {4-[(Z-2-cyano-2-(3,4,5-trimethoxyphenylethenyl]phenyl}methylidene group as a substituent. The 4-[(Z-2-cyano-2-(3,4,5-trimethoxyphenylethenyl]phenyl group on the parthenolide exocyclic double bond is oriented in a trans position to the lactone ring to form the E isomer. The dihedral angle between the benzene ring of the phenyl moiety and the lactone ring mean plane is 21.93 (4°.

  6. The a-Type K = 0 Microwave Spectrum of the Methanol Dimer

    Science.gov (United States)

    Lovas, F. J.; Belov, S. P.; Tretyakov, M. Y.; Stahl, W.; Suenram, R. D.

    1995-04-01

    The rotational spectrum of (CH3OH)2 has been observed in the region 4-22 GHz with pulsed-beam Fabry-Perot cavity Fourier-transform microwave spectrometers at NIST and at the University of Kiel. Each a-type R(J), Ka = 0 transition is split into 15 states by tunneling motions for (CH3OH)2, (13CH3OH)2, (CH3OD)2, (CD3OH)2, and (CD3OH)2. The preliminary analysis of the methyl internal rotation presented here was guided by the previously developed multidimensional tunneling theory which predicts 16 tunneling components for each R(J) transition from 25 distinct tunneling motions. Several isotopically mixed dimers of methanol have also been measured, namely 13CH3OH, CH3OD, CD3OH, and CD3OD bound to 12CH3OH. Since the hydrogen bond interchange motion (which converts a donor into an acceptor) would produce a new and less favorable conformation from an energy viewpoint, it does not occur and only 10 tunneling components are observed for these mixed dimers. The structure of the complex is similar to that of water dimer with a hydrogen bond distance of 2.035 Å and a tilt of the acceptor methanol of 84° from the O-H-O axis. The effective barrier to internal rotation for the donor methyl group of (CH3OH)2 is ν3 = 183.0 cm-1 and is one-half of the value for the methanol monomer (370 cm-1), while the barrier to internal rotation of the acceptor methyl group is 120 cm-1.

  7. Quantitative analysis of DNA methylation in chronic lymphocytic leukemia patients.

    Science.gov (United States)

    Lyko, Frank; Stach, Dirk; Brenner, Axel; Stilgenbauer, Stephan; Döhner, Hartmut; Wirtz, Michaela; Wiessler, Manfred; Schmitz, Oliver J

    2004-06-01

    Changes in the genomic DNA methylation level have been found to be closely associated with tumorigenesis. In order to analyze the relation of aberrant DNA methylation to clinical and biological risk factors, we have determined the cytosine methylation level of 81 patients diagnosed with chronic lymphocytic leukemia (CLL). The analysis was based on DNA hydrolysis followed by derivatization of the 2'-desoxyribonucleoside-3'-monophosphates with BODIPY FL EDA. Derivatives were separated by micellar electrokinetic chromatography, and laser-induced fluorescence was used for detection. We analyzed potential correlations between DNA methylation levels and numerous patient parameters, including clinical observations and biological data. As a result, we observed a significant correlation with the immunoglobulin variable heavy chain gene (VH) mutation status. This factor has been repeatedly proposed as a reliable prognostic marker for CLL, which suggests that the methylation level might be a valuable factor in determining the prognostic outcome of CLL. We are now in the process of refining our method to broaden its application potential. In this context, we show here that the oxidation of the fluorescence marker in the samples and the evaporation of methanol in the electrolytes can be prevented by a film of paraffin oil. In summary, our results thus establish capillary electrophoresis as a valuable tool for analyzing the DNA methylation status of clinical samples.

  8. Synthesis of [11C]-labelled methyl esters: transesterification of enol esters versus BF3 etherate catalysed esterification - a comparative study

    International Nuclear Information System (INIS)

    Ackermann, U.; Falzon, C.; Issa, W.; Tochon-Danguy, H.J.; Sachinidis, J.I.; Blanc, P.; White, J.; Scott, A.M.

    2005-01-01

    An important issue in Positron Emission Tomography (PET) is the development of labelling techniques to incorporate positron emitting radionuclides into biologically active compounds. When labelling with 11C, the short 20 minutes half-life of the radionuclide significantly limits the number of synthetic protocols available to the radiochemist. C-l synthons such as [HCJ-methyl iodide (1) or methyl triflate (2) are readily available and are frequently used as alkylating agents for the preparation of radiopharmaceuticals. However, the use of these alkylating agents often makes it necessary to introduce protecting groups in order to prevent labelling at unwanted sites on the molecule. Since the removal of protecting groups is a time-consuming process, a more direct synthesis strategy is desirable. This has prompted us to investigate the esterification of carboxylic acids using [1 lC]-mcthanol and BF3 etherate as Lewis acid catalyst. Our results have demonstrated that the reaction conditions necessary to promote the esterification can cleave functional groups such as ethers. We have therefore shifted our attention towards the irreversible transesterification of enol esters using [HCl-methanol and a tin catalyst as an alternative strategy to [HC]-methyl ester formation. We have prepared a series of 5 aromatic ethoxy vinyl esters bearing various functional groups. The transesterification (radiolabelling) was carried out in DMSO at 150 Degrees C for 7 minutes in the presence of [HQMeOH and 1.3-dichlo-rotetrabutyldistannoxane as catalyst. We have found that the transesterification of enol esters is a mild and efficient labelling method for the formation of [HCl-methyl esters. The reaction proceeds smoothly and leaves functional groups intact. It requires only one synthesis step compared to two steps for the conventional method, and gives a radiochemical yields of 25%

  9. Whole-genome methylation caller designed for methyl- DNA ...

    African Journals Online (AJOL)

    etchie

    2013-02-20

    Feb 20, 2013 ... Our method uses a single-CpG-resolution, whole-genome methylation ... Key words: Methyl-DNA immunoprecipitation, next-generation sequencing, ...... methylation is prevalent in embryonic stem cells andmaybe mediated.

  10. Controllable pt nanoparticle deposition on carbon nanotubes as an anode catalyst for direct methanol fuel cells.

    Science.gov (United States)

    Mu, Yongyan; Liang, Hanpu; Hu, Jinsong; Jiang, Li; Wan, Lijun

    2005-12-01

    We report a novel process to prepare well-dispersed Pt nanoparticles on CNTs. Pt nanoparticles, which were modified by the organic molecule triphenylphosphine, were deposited on multiwalled carbon nanotubes by the organic molecule, which acts as a cross linker. By manipulating the relative ratio of Pt nanoparticles and multiwalled carbon nanotubes in solution, Pt/CNT composites with different Pt content were achieved. The so-prepared Pt/CNT composite materials show higher electrocatalytic activity and better tolerance to poisoning species in methanol oxidation than the commercial E-TEK catalyst, which can be ascribed to the high dispersion of Pt nanoparticles on the multiwalled carbon nanotube surface.

  11. Biodiesel production by transesterification of duck tallow with methanol on alkali catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Chung, Kyong-Hwan [Center for Functional Nano Fine Chemicals, Chonnam National University, Gwangju 500-757 (Korea); Kim, Jin [Center for Functional Nano Fine Chemicals, Chonnam National University, Gwangju 500-757 (Korea)]|[Department of Advanced Chemicals Graduate School, Chonnam National University, Gwangju 500-757 (Korea); Lee, Ki-Young [Center for Functional Nano Fine Chemicals, Chonnam National University, Gwangju 500-757 (Korea)]|[Department of Applied Chemical Engineering and The Research Institute for Catalysis, Chonnam National University, Gwangju 500-757 (Korea)

    2009-01-15

    Duck tallow was employed as a feedstock for the production of biodiesel by transesterification with methanol. The content of fatty acid methyl ester (FAME) was evaluated on various alkali catalysts during transesterification. The composition and chemical properties of the FAME were investigated in the raw duck tallow and the biodiesel products. The major constituent in the biodiesel product was oleic acid. The FAME content was 97% on KOH catalyst in the reaction. It was acceptable for the limit of European biodiesel qualities for BD100. Acid value, density, and kinematic viscosity of the biodiesel products also came up to the biodiesel qualities. (author)

  12. Study on separation of methanol-butyl methylether-1-chlorobutane system

    International Nuclear Information System (INIS)

    Zhang Weijiang; Cao Tianhong

    2006-01-01

    The separation of mixture plays an important role in chemical, petrochemical, medical biochemical industries and environmental protection engineering. Liquid mixture with azeotropic phenomenon cannot be separated by conventional distillation as well as extractive distillation. But the combination of extraction and distillation can be effective for them. This paper includes many experiments with the ternary mixture of methanol butyl methyl ether and 1-chlorobytane, which shows that the system is not ternary azeotrope and can be separated by the combination of extraction and rectification using water as extractive solvent. (authors)

  13. Continuous production of biodiesel under supercritical methyl acetate conditions: Experimental investigation and kinetic model.

    Science.gov (United States)

    Farobie, Obie; Matsumura, Yukihiko

    2017-10-01

    In this study, biodiesel production by using supercritical methyl acetate in a continuous flow reactor was investigated for the first time. The aim of this study was to elucidate the reaction kinetics of biodiesel production by using supercritical methyl. Experiments were conducted at various reaction temperatures (300-400°C), residence times (5-30min), oil-to-methyl acetate molar ratio of 1:40, and a fixed pressure of 20MPa. Reaction kinetics of biodiesel production with supercritical methyl acetate was determined. Finally, biodiesel yield obtained from this method was compared to that obtained with supercritical methanol, ethanol, and MTBE (methyl tertiary-butyl ether). The results showed that biodiesel yield with supercritical methyl acetate increased with temperature and time. The developed kinetic model was found to fit the experimental data well. The reactivity of supercritical methyl acetate was the lowest, followed by that of supercritical MTBE, ethanol, and methanol, under the same conditions. Copyright © 2017. Published by Elsevier Ltd.

  14. Green chemistry perspectives of methane conversion via oxidative methylation of aromatics over zeolite catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Adebajo, M.O. [University of Queensland, St Lucia, Qld. (Australia)

    2007-06-15

    This paper provides a general overview of the recent work that we and other researchers have done on the utilisation of methane for catalytic methylation of aromatic compounds and for direct coal liquefaction for the production of liquid hydrocarbons. In particular, the paper presents a detailed description of more recent substantial experimental evidence that we have provided for the requirement of oxygen as a stoichiometry reactant for benzene methylation with methane over moderately acidic zeolite catalysts. The reaction, which has been termed 'oxidative methylation', was thus postulated to involve a two-step mechanism involving intermediate methanol formation by methane partial oxidation, followed by benzene methylation with methanol in the second step. However, strongly acidic zeolites can cause cracking of benzene to yield methylated products in the absence of oxygen. The participation of methane and oxygen, and the effective use of zeolite catalysts in this methylation reaction definitely have some positive green chemistry implications. Thus, the results of these previous studies are also discussed in this review in light of the principles and tools of green chemistry. Various metrics were used to evaluate the greenness, cost-effectiveness, and material and energy efficiency of the oxidative methylation reaction.

  15. Methanol sensor operated in a passive mode

    Science.gov (United States)

    Ren, Xiaoming; Gottesfeld, Shimshon

    2002-01-01

    A sensor outputs a signal related to a concentration of methanol in an aqueous solution adjacent the sensor. A membrane electrode assembly (MEA) is included with an anode side and a cathode side. An anode current collector supports the anode side of the MEA and has a flow channel therethrough for flowing a stream of the aqueous solution and forms a physical barrier to control access of the methanol to the anode side of the MEA. A cathode current collector supports the cathode side of the MEA and is configured for air access to the cathode side of the MEA. A current sensor is connected to measure the current in a short circuit across the sensor electrodes to provide an output signal functionally related to the concentration of methanol in the aqueous solution.

  16. Methanol as a cryoprotectant for equine embryos.

    Science.gov (United States)

    Bass, L D; Denniston, D J; Maclellan, L J; McCue, P M; Seidel, G E; Squires, E L

    2004-09-15

    Equine embryos (n=43) were recovered nonsurgically 7-8 days after ovulation and randomly assigned to be cryopreserved in one of two cryoprotectants: 48% (15M) methanol (n=22) or 10% (136 M) glycerol (n=21). Embryos (300-1000 microm) were measured at five intervals after exposure to glycerol (0, 2, 5, 10 and 15 min) or methanol (0, 15, 35, 75 and 10 min) to determine changes (%) in diameter over time (+/-S.D.). Embryos were loaded into 0.25-ml plastic straws, sealed, placed in a programmable cell freezer and cooled from room temperature (22 degrees C) to -6 degrees C. Straws were then seeded, held at -6 degrees C for 10 min and then cooled to -33 degrees C before being plunged into liquid nitrogen. Two or three embryos within a treatment group were thawed and assigned to be either cultured for 12 h prior to transfer or immediately nonsurgically transferred to a single mare. Embryo diameter decreased in all embryos upon initial exposure to cryoprotectant. Embryos in methanol shrank and recovered slightly to 76+/-8 % of their original diameter; however, embryos in glycerol continued to shrink, reaching 57+/-6 % of their original diameter prior to cryopreservation. Survival rates of embryos through Day 16 of pregnancy were 38 and 23%, respectively (P>0.05) for embryos cryopreserved in the presence of glycerol or methanol. There was no difference in pregnancy rates of mares receiving embryos that were cultured prior to transfer or not cultured (P>0.05). Preliminary experiments indicated that 48% methanol was not toxic to fresh equine embryos but methanol provided no advantage over glycerol as a cryoprotectant for equine blastocysts.

  17. Optical coherence tomography findings in methanol toxicity.

    Science.gov (United States)

    Klein, Kendra A; Warren, Alexis K; Baumal, Caroline R; Hedges, Thomas R

    2017-01-01

    Methanol toxicity poses a significant public health problem in developing countries, and in Southeast Asia, where the most common source of poisoning is via adulterated liquor in local drinks. Methanol toxicity can have devastating visual consequences and retinal specialists should be aware of the features of this toxic optic neuropathy. The authors report a case of severe systemic methanol toxicity and relatively mild optic neuropathy demonstrating unique retinal changes on optical coherence tomography (OCT). A previously healthy student developed ataxia, difficulty breathing and loss of consciousness hours after drinking homemade alcohol while traveling in Indonesia. She was found to have a serum pH of 6.79 and elevated methanol levels. She was treated with intravenous ethanol, methylprednisolone and sodium bicarbonate. When she awoke she had bilateral central scotomas. At presentation, she had central depression on visual field testing. OCT of the retinal nerve fiber layer (RNFL) was normal but ganglion cell layer analysis (GCL) showed highly selective loss of the nasal fibers in both eyes. Further, OCT of the macula demonstrated inner nuclear layer (INL) microcysts in the corresponding area of selective GCL loss in both eyes. The selective involvement of the papillomacular bundle fibers is common in toxic optic neuropathies and represents damage to the small caliber axons rich in mitochondria. Despite severe systemic toxicity, the relative sparing of the optic nerve in this case enabled characterization of the evolution of methanol toxicity with segmental GCL involvement and preservation of the RNFL, corresponding to the papillomacular bundle. This is the first reported case of INL microcysts in methanol optic neuropathy and supports that they are a non-specific finding, and may represent preferential damage to the papillomacular bundle.

  18. Photocatalytic conversion of methane to methanol

    Energy Technology Data Exchange (ETDEWEB)

    Taylor, C.E.; Noceti, R.P.; D`Este, J.R. [Pittsburgh Energy Technology Center, PA (United States)

    1995-12-31

    A long-term goal of our research group is the exploration of novel pathways for the direct oxidation of methane to liquid fuels, chemicals, and intermediates. The use of three relatively abundant and inexpensive reactants, light, water, and methane, to produce methanol is attractive. The products of reaction, methanol and hydrogen, are both commercially desirable, methanol being used as is or converted to a variety of other chemicals, and the hydrogen could be utilized in petroleum and/or chemical manufacturing. Methane is produced as a by-product of coal gasification. Depending upon reactor design and operating conditions, up to 18% of total gasifier product may be methane. In addition, there are vast proven reserves of geologic methane in the world. Unfortunately, a large fraction of these reserves are in regions where there is little local demand for methane and it is not economically feasible to transport it to a market. There is a global research effort under way in academia, industry, and government to find methods to convert methane to useful, more readily transportable and storable materials. Methanol, the initial product of methane oxidation, is a desirable product of conversion because it retains much of the original energy of the methane while satisfying transportation and storage requirements. Investigation of direct conversion of methane to transportation fuels has been an ongoing effort at PETC for over 10 years. One of the current areas of research is the conversion of methane to methanol, under mild conditions, using light, water, and a semiconductor photocatalyst. The use of three relatively abundant and inexpensive reactants, light, water, and methane, to produce methanol, is attractive. Research in the laboratory is directed toward applying the techniques developed for the photocatalytic splitting of the water and the photochemical conversion of methane.

  19. Modeling of the oxidation of methyl esters—Validation for methyl hexanoate, methyl heptanoate, and methyl decanoate in a jet-stirred reactor

    Science.gov (United States)

    Glaude, Pierre Alexandre; Herbinet, Olivier; Bax, Sarah; Biet, Joffrey; Warth, Valérie; Battin-Leclerc, Frédérique

    2013-01-01

    The modeling of the oxidation of methyl esters was investigated and the specific chemistry, which is due to the presence of the ester group in this class of molecules, is described. New reactions and rate parameters were defined and included in the software EXGAS for the automatic generation of kinetic mechanisms. Models generated with EXGAS were successfully validated against data from the literature (oxidation of methyl hexanoate and methyl heptanoate in a jet-stirred reactor) and a new set of experimental results for methyl decanoate. The oxidation of this last species was investigated in a jet-stirred reactor at temperatures from 500 to 1100 K, including the negative temperature coefficient region, under stoichiometric conditions, at a pressure of 1.06 bar and for a residence time of 1.5 s: more than 30 reaction products, including olefins, unsaturated esters, and cyclic ethers, were quantified and successfully simulated. Flow rate analysis showed that reactions pathways for the oxidation of methyl esters in the low-temperature range are similar to that of alkanes. PMID:23710076

  20. Modeling of the oxidation of methyl esters-Validation for methyl hexanoate, methyl heptanoate, and methyl decanoate in a jet-stirred reactor.

    Science.gov (United States)

    Glaude, Pierre Alexandre; Herbinet, Olivier; Bax, Sarah; Biet, Joffrey; Warth, Valérie; Battin-Leclerc, Frédérique

    2010-11-01

    The modeling of the oxidation of methyl esters was investigated and the specific chemistry, which is due to the presence of the ester group in this class of molecules, is described. New reactions and rate parameters were defined and included in the software EXGAS for the automatic generation of kinetic mechanisms. Models generated with EXGAS were successfully validated against data from the literature (oxidation of methyl hexanoate and methyl heptanoate in a jet-stirred reactor) and a new set of experimental results for methyl decanoate. The oxidation of this last species was investigated in a jet-stirred reactor at temperatures from 500 to 1100 K, including the negative temperature coefficient region, under stoichiometric conditions, at a pressure of 1.06 bar and for a residence time of 1.5 s: more than 30 reaction products, including olefins, unsaturated esters, and cyclic ethers, were quantified and successfully simulated. Flow rate analysis showed that reactions pathways for the oxidation of methyl esters in the low-temperature range are similar to that of alkanes.

  1. Methylation pathways in schizophrenia

    International Nuclear Information System (INIS)

    Sargent, T.W. III.

    1982-01-01

    Research on the biochemical causes of human psychosis concentrates on investigating whether schizophremia is linked to abnormalities in the metabolism of methyl carbon groups in the body. The metabolism of C-14 labeled methyl groups in methionine is studied in animals, normal subjects and patient volunteers

  2. Grace announces coal-to-methanol project

    Energy Technology Data Exchange (ETDEWEB)

    Myers, R

    1980-02-15

    WR Grace and Co. are planning a feasibility study for a plant to produce 5000 tons/day of methanol and 6000 tons/day of carbon dioxide from captive coal reserves in Colorado. The study will be performed by Energy Transition Co. (ETCo). The producers would be used for pipeline transmission of pulverised coal, probably to California. At the destination the coal would go to a power station, the methanol to a gas turbine and the carbon dioxide to an oil producer for tertiary recovery.

  3. Absolute entropy of ions in methanol

    International Nuclear Information System (INIS)

    Abakshin, V.A.; Kobenin, V.A.; Krestov, G.A.

    1978-01-01

    By measuring the initial thermoelectromotive forces of chains with bromo-silver electrodes in tetraalkylammonium bromide solutions the absolute entropy of bromide-ion in methanol is determined in the 298.15-318.15 K range. The anti Ssub(Brsup(-))sup(0) = 9.8 entropy units value is used for calculation of the absolute partial molar entropy of alkali metal ions and halogenide ions. It has been found that, absolute entropy of Cs + =12.0 entropy units, I - =14.0 entropy units. The obtained ion absolute entropies in methanol at 298.15 K within 1-2 entropy units is in an agreement with published data

  4. Molecule of the Month

    Indian Academy of Sciences (India)

    having solutions coloured red in methanol, violet in etha- nol, blue in isopropyl alcohol, green in acetone and green- ish-yellow in anisole. The electronic ... concentrated sulfuric acid to obtain a symmetric triphenylpyrelium. Box 1. Compounds ...

  5. METHANOL REMOVAL FROM METHANOL-WATER MIXTURE USING ACTIVATED SLUDGE, AIR STRIPPING AND ADSORPTION PROCESS: COMPARATIVE STUDY

    Directory of Open Access Journals (Sweden)

    SALAM K. AL-DAWERY

    2015-12-01

    Full Text Available An experimental research has been carried out in order to examine the removal of methanol from methanol-water mixtures using three different methods; activated sludge; activated carbon and air stripping. The results showed that the methanol was totally consumed by the bacteria as quickly as the feed entered the activated sludge vessel. Air stripping process has a limited ability for removing of methanol due to strong intermolecular forces between methanol and water; however, the results showed that the percentage of methanol removed using air pressure at 0.5 bar was higher than that of using air pressure of 0.25 bar. Removal of methanol from the mixture with a methanol content of 5% using activated carbon was not successful due to the limited capacity of the of the activated carbon. Thus, the activated sludge process can be considered as the most suitable process for the treatment of methanol-water mixtures.

  6. 37 GHz METHANOL MASERS : HORSEMEN OF THE APOCALYPSE FOR THE CLASS II METHANOL MASER PHASE?

    International Nuclear Information System (INIS)

    Ellingsen, S. P.; Breen, S. L.; Sobolev, A. M.; Voronkov, M. A.; Caswell, J. L.; Lo, N.

    2011-01-01

    We report the results of a search for class II methanol masers at 37.7, 38.3, and 38.5 GHz toward a sample of 70 high-mass star formation regions. We primarily searched toward regions known to show emission either from the 107 GHz class II methanol maser transition, or from the 6.035 GHz excited OH transition. We detected maser emission from 13 sources in the 37.7 GHz transition, eight of these being new detections. We detected maser emission from three sources in the 38 GHz transitions, one of which is a new detection. We find that 37.7 GHz methanol masers are only associated with the most luminous 6.7 and 12.2 GHz methanol maser sources, which in turn are hypothesized to be the oldest class II methanol sources. We suggest that the 37.7 GHz methanol masers are associated with a brief evolutionary phase (of 1000-4000 years) prior to the cessation of class II methanol maser activity in the associated high-mass star formation region.

  7. Sensing methanol concentration in direct methanol fuel cell with total harmonic distortion: Theory and application

    International Nuclear Information System (INIS)

    Mao Qing; Krewer, Ulrike

    2012-01-01

    The nonlinear frequency response of a direct methanol fuel cell (DMFC) is studied by analyzing the total harmonic distortion (THD) spectra. The dependence of the THD spectra on methanol concentration and methanol oxidation kinetics is investigated by means of both simulation and experiment. Simulation using a continuous stirred tank reactor network model suggests that the methanol concentration profile in the anode has a strong impact on the THD spectra. The experimentally observed nonlinear behavior of the DMFC anode can be qualitatively reproduced with a model containing a three-step methanol oxidation mechanism with Kauranen–Frumkin/Temkin kinetics. Both experiment and simulation results show that THD value has a monotonic correlation with methanol concentration at certain frequencies and its sensitivity to concentration is improved with increased current amplitude. The monotonic relationship enables the THD to sense the methanol concentration level by the DMFC itself, which is of mayor interest for the portable application as an external sensor for the system can be omitted.

  8. First-principles study of the adsorption of methanol at the α-Al2O3(0001) surface

    International Nuclear Information System (INIS)

    Borck, Oeyvind; Schroeder, Elsebeth

    2006-01-01

    We present density functional theory calculations of methanol molecular adsorption at the (0001) surface of α-Al 2 O 3 , for methanol coverages of 1/4 to 1 monolayer (ML). Adsorption energies, adsorption-induced restructuring of the surface, and induced changes to the electronic structure are calculated. We find that methanol bonds with its O atom to Al atoms at the α-Al 2 O 3 (0001) surface with an adsorption energy of 1.23 eV at coverage 1/4 ML, decreasing with coverage to 1.03 eV at 1 ML coverage. From calculations of the relaxed adsorption geometry and the angular dependence of the total energy, we predict an orientation of the adsorbed methanol molecule that has the molecular COH plane tilted away from the surface normal. The adsorption of methanol significantly restructures α-Al 2 O 3 (0001), especially for the outermost Al layer. Upon adsorption a small charge transfer from the molecule to the substrate takes place

  9. A study of structure and properties of molecularly thin methanol film using the modified surface forces apparatus.

    Science.gov (United States)

    Zhao, Gutian; Cai, Di; Wu, Gensheng; Tan, Qiyan; Xiang, Li; Zhang, Yin; Xiang, Nan

    2014-11-01

    A novel approach for studying the adsorption and evaporation processes of molecularly thin methanol film by the modified surface forces apparatus (M-SFA) is reported. This method can be used precisely to measure the thickness, morphology, and mechanical properties of the film confined between two mica surfaces in a real-time manner at gas atmosphere. By observing the adsorption and evaporation processes of the methanol molecule, it is found that the first adsorbed layer of the methanol film on the mica surface behaves as a solid-like structure. The thickness of this layer is measured to be about 3.2 Å, approximately equal to the diameter of a methanol molecule. Besides, this first adsorbed layer can carry normalized loads of more than 5.6 atm due to the carrying capacity conserved by the bond of mica-OH. The outer layers of the methanol film are further adsorbed with the increase of the exposure time, which are liquid-like and can be easily eliminated out from the substrate. The present study suggests that the interacting mode between hydroxy and mica is of great potential in material science and biomedical systems. © 2014 Wiley Periodicals, Inc.

  10. Methanol oxidation reaction on core-shell structured Ruthenium-Palladium nanoparticles: Relationship between structure and electrochemical behavior

    Science.gov (United States)

    Kübler, Markus; Jurzinsky, Tilman; Ziegenbalg, Dirk; Cremers, Carsten

    2018-01-01

    In this work the relationship between structural composition and electrochemical characteristics of Palladium(Pd)-Ruthenium(Ru) nanoparticles during alkaline methanol oxidation reaction is investigated. The comparative study of a standard alloyed and a precisely Ru-core-Pd-shell structured catalyst allows for a distinct investigation of the electronic effect and the bifunctional mechanism. Core-shell catalysts benefit from a strong electronic effect and an efficient Pd utilization. It is found that core-shell nanoparticles are highly active towards methanol oxidation reaction for potentials ≥0.6 V, whereas alloyed catalysts show higher current outputs in the lower potential range. However, differential electrochemical mass spectrometry (DEMS) experiments reveal that the methanol oxidation reaction on core-shell structured catalysts proceeds via the incomplete oxidation pathway yielding formaldehyde, formic acid or methyl formate. Contrary, the alloyed catalyst benefits from the Ru atoms at its surface. Those are found to be responsible for high methanol oxidation activity at lower potentials as well as for complete oxidation of CH3OH to CO2 via the bifunctional mechanism. Based on these findings a new Ru-core-Pd-shell-Ru-terrace catalyst was synthesized, which combines the advantages of the core-shell structure and the alloy. This novel catalyst shows high methanol electrooxidation activity as well as excellent selectivity for the complete oxidation pathway.

  11. Rapid Enzymatic Method for Pectin Methyl Esters Determination

    Directory of Open Access Journals (Sweden)

    Lucyna Łękawska-Andrinopoulou

    2013-01-01

    Full Text Available Pectin is a natural polysaccharide used in food and pharma industries. Pectin degree of methylation is an important parameter having significant influence on pectin applications. A rapid, fully automated, kinetic flow method for determination of pectin methyl esters has been developed. The method is based on a lab-made analyzer using the reverse flow-injection/stopped flow principle. Methanol is released from pectin by pectin methylesterase in the first mixing coil. Enzyme working solution is injected further downstream and it is mixed with pectin/pectin methylesterase stream in the second mixing coil. Methanol is oxidized by alcohol oxidase releasing formaldehyde and hydrogen peroxide. This reaction is coupled to horse radish peroxidase catalyzed reaction, which gives the colored product 4-N-(p-benzoquinoneimine-antipyrine. Reaction rate is proportional to methanol concentration and it is followed using Ocean Optics USB 2000+ spectrophotometer. The analyzer is fully regulated by a lab written LabVIEW program. The detection limit was 1.47 mM with an analysis rate of 7 samples h−1. A paired t-test with results from manual method showed that the automated method results are equivalent to the manual method at the 95% confidence interval. The developed method is rapid and sustainable and it is the first application of flow analysis in pectin analysis.

  12. Methyl-Analyzer--whole genome DNA methylation profiling.

    Science.gov (United States)

    Xin, Yurong; Ge, Yongchao; Haghighi, Fatemeh G

    2011-08-15

    Methyl-Analyzer is a python package that analyzes genome-wide DNA methylation data produced by the Methyl-MAPS (methylation mapping analysis by paired-end sequencing) method. Methyl-MAPS is an enzymatic-based method that uses both methylation-sensitive and -dependent enzymes covering >80% of CpG dinucleotides within mammalian genomes. It combines enzymatic-based approaches with high-throughput next-generation sequencing technology to provide whole genome DNA methylation profiles. Methyl-Analyzer processes and integrates sequencing reads from methylated and unmethylated compartments and estimates CpG methylation probabilities at single base resolution. Methyl-Analyzer is available at http://github.com/epigenomics/methylmaps. Sample dataset is available for download at http://epigenomicspub.columbia.edu/methylanalyzer_data.html. fgh3@columbia.edu Supplementary data are available at Bioinformatics online.

  13. Molecule Matters van der Waals Molecules

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 15; Issue 7. Molecule Matters van der Waals Molecules - Rg•••HF Complexes are Debye Molecules! E Arunan. Feature Article Volume 15 Issue 7 July 2010 pp 667-674. Fulltext. Click here to view fulltext PDF. Permanent link:

  14. The Detection of Hot Cores and Complex Organic Molecules in the Large Magellanic Cloud

    Science.gov (United States)

    Sewiło, Marta; Indebetouw, Remy; Charnley, Steven B.; Zahorecz, Sarolta; Oliveira, Joana M.; van Loon, Jacco Th.; Ward, Jacob L.; Chen, C.-H. Rosie; Wiseman, Jennifer; Fukui, Yasuo; Kawamura, Akiko; Meixner, Margaret; Onishi, Toshikazu; Schilke, Peter

    2018-02-01

    We report the first extragalactic detection of the complex organic molecules (COMs) dimethyl ether (CH3OCH3) and methyl formate (CH3OCHO) with the Atacama Large Millimeter/submillimeter Array (ALMA). These COMs, together with their parent species methanol (CH3OH), were detected toward two 1.3 mm continuum sources in the N 113 star-forming region in the low-metallicity Large Magellanic Cloud (LMC). Rotational temperatures ({T}{rot}∼ 130 K) and total column densities ({N}{rot}∼ {10}16 cm‑2) have been calculated for each source based on multiple transitions of CH3OH. We present the ALMA molecular emission maps for COMs and measured abundances for all detected species. The physical and chemical properties of two sources with COMs detection, and the association with H2O and OH maser emission, indicate that they are hot cores. The fractional abundances of COMs scaled by a factor of 2.5 to account for the lower metallicity in the LMC are comparable to those found at the lower end of the range in Galactic hot cores. Our results have important implications for studies of organic chemistry at higher redshift.

  15. Electro-oxidation of methanol diffused through proton exchange membrane on Pt surface: crossover rate of methanol

    International Nuclear Information System (INIS)

    Jung, Inhwa; Kim, Doyeon; Yun, Yongsik; Chung, Suengyoung; Lee, Jaeyoung; Tak, Yongsug

    2004-01-01

    Methanol crossover rate through proton exchange membrane (Nafion 117) was investigated with a newly designed electrochemical stripping cell. Nanosize Pt electrode was prepared by the electroless deposition. Distinct electrocatalytic oxidation behaviors of methanol inside membrane were similar to the methanol oxidation in aqueous electrolyte, except adsorption/desorption of hydrogen. The amount of methanol diffused through membrane was calculated from the charge of methanol oxidation during repetitive cyclic voltammetry (CV) and methanol crossover rate was estimated to be 0.69 nmol/s

  16. Synthesis of methyl ester sulphonate by sulfonation of soybean oil methyl ester for chemical flooding application

    International Nuclear Information System (INIS)

    Richie Adi Putra; Renisa Ismayanti; Agam Duma Kalista W

    2018-01-01

    This research has accomplished the synthesis of Surfactant Methyl Ester Sulphonate from Methyl Soyate and Sodium Bisulfite as sulfonating agent. The Steps of the synthesis were reaction, purification, neutralization, and separation. The reaction done by several variated condition such as Reaction Temperature (100, 110, 120)°C, Reaction time (210, 270, 330)minute, and the mole ratio between Methyl Soyate and NaHSO 3 (1:1, 1:1.5, 1:2) with 1.5 % of Al 2 O 3 as catalyst of sulfonation reaction. The purification process was conducted at 55 °C and 60 minute by adding Methanol 35 % v/v. The neutralization done was conducted by 20 % of NaOH until pH 6-8. And the rest of the methanol are separated from MES using rotary evaporator. MES which is pass the compatibility Test is MES at the condition of reaction (100 °C, 210 minute and 1 : 2 mole ratio).This MES has tested by FT - IR to see the existence of the Sulphonate group.The FT-IR test result has shown the existence of the Sulphonate group at wave length between 1000 until 1300 cm -1 . Which is the highest peak at 1176 cm-1. From the qualitative test above, then the MES performed by IFT Test with light oil of X- field as comparison. The IFT results has shown a decrease of the interfacial tensions between 12,000 ppm of brine water and the light oil with addition of 0.3 % (v/v) MES, from 3.36 dyne/cm 2 to 1.54 dyne/cm 2 . (author)

  17. Pentagonal dodecahedron methane hydrate cage and methanol ...

    Indian Academy of Sciences (India)

    methane hydrate in sea bed near continental margin and underneath of permafrost ... clathrate structure,6,7 IR spectroscopy analysis of vibra- tional form of guest .... Hydrogen (H71) of the hydroxyl group of methanol is found to have formed ...

  18. Parameters affecting methanol utilization by yeasts

    Energy Technology Data Exchange (ETDEWEB)

    Foda, M.S.; El-Masry, H.G.

    1981-01-01

    Screening of 28 yeast cultures, representing 22 species of various yeasts, with respect to their capabilities to assimilate methanol, has shown that this property was mostly found in certain species of the two genera Hansenula and Candida. When methanol was used as a sole carbon source for a methanol-adapted strain of Hansenula polymorpha, a linear yield response could be obtained with increasing alcohol up to 2% concentration. The amount of inoculum proved to be the decisive factor in determining a priori the ability of the organism to grow at 6% methanol as final concentration. The optimum pH values for growth ranged between 4.5-5.5 with no growth at pH 6.5 or higher. A marked growth stimulation was obtained when the medium was supplied with phosphate up to 0.08 M as final concentration. Within the nitrogen sources tested, corn steep liquor concentrate gave the highest yield of cells. The significance of the obtained results are discussed with reference to feasibilities of application.

  19. Metacridamide B methanol-d4 monosolvate

    Science.gov (United States)

    The title compound was extracted from conidia of the fungus Metarhizium acridum. Crystals were obtained as a methanol-d4 solvate. The tail part of the 4-methylhexan-2-yl group exhibits disorder over two positions, with an occupancy ratio of 0.682 (9):0.318 (9). The crystal structure confirms the abs...

  20. Methanol fractionations of Catha edulis frosk (Celastraceae ...

    African Journals Online (AJOL)

    The study investigated the effect of methanol extract and its fractionations obtained from Yemeni khat on the smooth muscle isometric tension in Lewis rat aortal ring preparations and compared the effects of the crimson and green leaves. Khat leaves were sorted into green (khat Light; KL) and crimson (khat Dark; KD) leaves ...

  1. Methanex, Hoechst Celanese dissolve methanol partnership

    International Nuclear Information System (INIS)

    Morris, G.D.L.

    1993-01-01

    One of the many joint venture alliances recently announced in the petrochemical sector is ending in divorce. Hoechst Celanese Chemical (Dallas) and Methanex Corp. (Vancouver) are in the process of dissolving the partnership they had formed to restart Hoechst Celanese's methanol plant at Clear Lake, TX. Hoechst Celanese says it is actively seeking replacement partners and has several likely prospects, while Methanex is concentrating on its other ventures. Those include its just-completed acquisition of Fletcher Challenge's (Auckland, NZ) methanol business and a joint venture with American Cyanamid to convert an ammonia plant at Fortier, LA to methanol. Methanex will still be the world's largest producer of methanol. Officially, the negotiations between Methanex and Hoechst Celanese 'just broke down over the last month or so,' says Steve Yurich, operations manager for the Clear Lake plant. Market sources, however, say that Methanex found itself 'with too many irons in the fire' and pulled out before it ran into financial or perhaps even antitrust difficulties

  2. Comparative antitrypanosomal screening of methanolic extracts of ...

    African Journals Online (AJOL)

    The in vitro and in vivo activities of methanolic extracts of defatted leaves and stems of Khaya senegalensis and Moringa oleifera on Trypanosoma brucei brucei were investigated and compared. The in vitro assessment involved incubating the parasite (in triplicate) in the presence of various extract concentrations in a ...

  3. Cancer chemopreventive property of Bidens pilosa methanolic ...

    African Journals Online (AJOL)

    Cancer chemopreventive property of Bidens pilosa methanolic extract on two stage in vivo skin carcinogenesis model. ... In the forestomach, kidney and lung, glutathione S-transferase and DT-diaphorase levels were significantly reduced. Chemopreventive response was calculated by the mean number of papillomas ...

  4. Numerical modelling of methanol liquid pool fires

    Science.gov (United States)

    Prasad, Kuldeep; Li, Chiping; Kailasanath, K.; Ndubizu, Chuka; Ananth, Ramagopal; Tatem, P. A.

    1999-12-01

    The focus of this paper is on numerical modelling of methanol liquid pool fires. A mathematical model is first developed to describe the evaporation and burning of a two-dimensional or axisymmetric pool containing pure liquid methanol. Then, the complete set of unsteady, compressible Navier-Stokes equations for reactive flows are solved in the gas phase to describe the convection of the fuel gases away from the pool surface, diffusion of the gases into the surrounding air and the oxidation of the fuel into product species. Heat transfer into the liquid pool and the metal container through conduction, convection and radiation are modelled by solving a modified form of the energy equation. Clausius-Clapeyron relationships are invoked to model the evaporation rate of a two-dimensional pool of pure liquid methanol. The governing equations along with appropriate boundary and interface conditions are solved using the flux-corrected transport algorithm. Numerical results exhibit a flame structure that compares well with experimental observations. Temperature profiles and burning rates were found to compare favourably with experimental data from single- and three-compartment laboratory burners. The model predicts a puffing frequency of approximately 12 Hz for a 1 cm diameter methanol pool in the absence of any air co-flow. It is also observed that increasing the air co-flow velocity helps in stabilizing the diffusion flame, by pushing the vortical structures away from the flame region.

  5. Preliminary antidiarrhoeal activity of methanolic extracts of ...

    African Journals Online (AJOL)

    Securinega virosa is used as remedy for diarrhoea in tropical Africa, but has not been investigated for its antidiarrhoeal activity. This study was therefore aimed at investigating the methanolic extracts of the leaves, stem bark and root bark for antidirrhoeal activity, using castor oil-induced diarrhoeal model in mice. The effects ...

  6. Antifungal evaluation and phytochemical screening of methanolic ...

    African Journals Online (AJOL)

    The objective of the study was to further examine the medicinal value of Boswellia dalzielii plant by evaluating the antifungal activity and carrying out phytochemical screening of methanolic extract, hexane, ethyl acetate, aqueous fractions and the sub-fractions of the stem bark of the plant. Standard methods were used for ...

  7. Selectivity and Activity of Iron Molybdate Catalysts in Oxidation of Methanol

    Directory of Open Access Journals (Sweden)

    Khalid Khazzal Hummadi

    2009-06-01

    Full Text Available The selectivity and activity of iron molybdate catalysts prepared by different methods are compared with those of a commercial catalyst in the oxidation of methanol to formaldehyde in a continuous tubular bed reactor at 200-350 oC (473-623 oK, 10 atm (1013 kPa, with a methanol-oxygen mixture fixed at 5.5% by volume methanol: air ratio. The iron(III molybdate catalyst prepared by co-precipitation and filtration had a selectivity towards formaldehyde in methanol oxidation comparable with a commercial catalyst; maximum selectivity (82.3% was obtained at 573oK when the conversion was 59.7%. Catalysts prepared by reacting iron (III and molybdate by kneading or precipitation followed by evaporation, omitting a filtration stage, were less active and less selective. The selectivity-activity relationships of these catalysts as a function of temperature were discussed in relation to the method of preparation, surface areas and composition. By combing this catalytic data with data from the patent literature we demonstrate a synergy between iron and molybdenum in regard to methanol oxidation to formaldehyde; the optimum composition corresponded to an iron mole fraction 0.2-0.3. The selectivity to formaldehyde was practically constant up to an iron mole fraction 0.3 and then decreased at higher iron concentrations. The iron component can be regarded as the activity promoter. The iron molybdate catalysts can thus be related to other two-component MoO3-based selective oxidation catalysts, e.g. bismuth and cobalt molybdates. The iron oxide functions as a relatively basic oxide abstracting, in the rate-controlling step, a proton from the methyl of a bound methoxy group of chemisorbed methanol. It was proposed that a crucial feature of the sought after iron(III molybdate catalyst is the presence of -O-Mo-O-Fe-O-Mo-O- groups as found in the compound Fe2(MoO43 and for Fe3+ well dispersed in MoO3 generally. At the higher iron(III concentrations the loss of

  8. Molecular Dynamics Investigation of the Effects of Concentration on Hydrogen Bonding in Aqueous Solutions of Methanol, Ethylene Glycol and Glycerol

    International Nuclear Information System (INIS)

    Zhang, Ning; Li, Weizhong; Chen, Cong; Zuo, Jianguo; Weng, Lindong

    2013-01-01

    Hydrogen bonding interaction between alcohols and water molecules is an important characteristic in the aqueous solutions of alcohols. In this paper, a series of molecular dynamics simulations have been performed to investigate the aqueous solutions of low molecular weight alcohols (methanol, ethylene glycol and glycerol) at the concentrations covering a broad range from 1 to 90 mol %. The work focuses on studying the effect of the alcohols molecules on the hydrogen bonding of water molecules in binary mixtures. By analyzing the hydrogen bonding ability of the hydroxyl (-OH) groups for the three alcohols, it is found that the hydroxyl group of methanol prefers to form more hydrogen bonds than that of ethylene glycol and glycerol due to the intra-and intermolecular effects. It is also shown that concentration has significant effect on the ability of alcohol molecule to hydrogen bond water molecules. Understanding the hydrogen bonding characteristics of the aqueous solutions is helpful to reveal the cryoprotective mechanisms of methanol, ethylene glycol and glycerol in aqueous solutions

  9. Methyl and ethyl soybean esters production

    Energy Technology Data Exchange (ETDEWEB)

    Pighinelli, Anna Leticia Montenegro Turtelli; Park, Kil Jin; Zorzeto, Thais Queiroz [Universidade Estadual de Campinas (FEAGRI/UNICAMP), SP (Brazil). Fac. de Engenharia Agricola], E-mail: annalets@feagri.unicamp.br; Bevilaqua, Gabriela [Universidade Estadual de Campinas (IQ/UNICAMP), SP (Brazil). Inst. de Quimica

    2008-07-01

    Biodiesel is a fuel obtained from triglycerides found in nature, like vegetable oils and animal fats. Nowadays it has been the subject of many researches impulses by the creation of the Brazilian law that determined the blend of 2% of biodiesel with petrodiesel. Basically, there are no limitations on the oilseed type for chemical reaction, but due to high cost of this major feedstock, it is important to use the grain that is available in the region of production. Soybean is the oilseed mostly produced in Brazil and its oil is the only one that is available in enough quantity to supply the current biodiesel demand. The objective of this work was to study the effects of reaction time and temperature on soybean oil transesterification reaction with ethanol and methanol. A central composite experimental design with five variation levels was used and response surface methodology applied for the data analysis. The statistical analysis of the results showed that none of the factors affected the ethyl esters production. However, the methyl esters production suffered the influence of temperature (linear effect), reaction time (linear and quadratic) and interaction of these two variables. None of the generated models showed significant regression consequently it was not possible to build the response surface. The experiments demonstrated that methanol is the best alcohol for transesterification reactions and the ester yield was up to 85%. (author)

  10. Micro-syntheses for the use of carbon 13 or carbon 14. Micro-preparations of methyl alcohol, methyl iodide, and sodium acetate labeled in the methyl group

    International Nuclear Information System (INIS)

    Baret, C.; Pichat, L.

    1951-11-01

    Apparatus and technique are described in detail for (1) reduction of CO 2 to CH 3 OH with LiAlH 4 , (2) conversion of the methanol to CH 3 I by HI, (3) formation of the Mg Grignard reagent, and (4) addition of inactive CO 2 to form CH 3 COOH. All these operations have been carried out on 0.005 moles. Methyl-labeled Na acetate has been prepared in 67% yield based on the Ba 14 CO 3 used as starting material. (author) [fr

  11. On-line methanol sensor system development for recombinant ...

    African Journals Online (AJOL)

    On-line methanol sensor system development for recombinant human serum ... of the methanol sensor system was done in a medium environment with yeast cells ... induction at a low temperature and a pH where protease does not function.

  12. Evaluation of the Ramazzini Foundation Study of Methanol in Rats

    Science.gov (United States)

    Evaluation of the Ramazzini Foundation Study of Methanol in Rats: A Comparison of Diagnoses by the RF Study Pathologist and a Recent NTP Review Team, summarized by George Cruzan and submitted to the Methanol Institute

  13. In vitro evaluation of the interaction between methanol extract of ...

    African Journals Online (AJOL)

    Antimicrobial interaction studies between methanol extract of lichen (Ramalina farinacea (I) ach. (Fam: Ramalinacea) and tetracycline, against clinical isolates of Staphylococcus aureus was evaluated. Preliminary antimicrobial properties of the extract were evaluated. Antimicrobial interaction studies between the methanol ...

  14. The possible mechanisms for the antifertility action of methanolic ...

    African Journals Online (AJOL)

    The possible mechanisms for the antifertility action of methanolic root extract of Rumex steudelii. ... African Health Sciences ... Objectives: The present study focused further on the possible mechanisms of the antifertility effect of the methanolic ...

  15. Synthesis of dimethyl carbonate from urea and methanol

    Energy Technology Data Exchange (ETDEWEB)

    Polyakov, M.; Kalevaru, V.N.; Martin, A. [Rostock Univ. (Germany). Leibniz Institute for Catalysis; Mueller, K.; Arlt, W. [Erlangen-Nuernberg Univ. (Germany); Strautmann, J.; Kruse, D. [Evonik Industries AG, Marl (Germany). Creavis Technologies and Innovation

    2012-07-01

    Alcoholation of urea with methanol to produce dimethyl carbonate (DMC) is an interesting approach from both the ecological and economical points of view because the urea synthesis usually occurs by the direct use of carbon dioxide. Literature survey reveals that metal oxide catalysts for instance MgO, ZnO, etc. or polyphosphoric acids are mostly used as catalysts for this reaction. In this contribution, we describe the application of ZnO, MgO, CaO, TiO{sub 2}, ZrO{sub 2} or Al{sub 2}O{sub 3} catalysts for the above mentioned reaction. The catalytic activity of different metal oxides towards DMC synthesis was checked and additionally a comparison of achieved conversions with that of predictions made by thermodynamic calculations was also carried out. The achieved conversions are in good agreement with those of calculated ones. The test results reveal that the reaction pressure and temperature have a strong influence on the formation of DMC. Higher reaction pressure improved the yield of DMC. Among different catalysts investigated, ZnO displayed the best performance. The conversion of urea in most cases is close to 100 % and methyl carbamate MC is the major product of the reaction. A part of MC is subsequently converted to DMC, which however depends upon the reaction conditions applied and nature of catalyst used. From the best case, a DMC yield of ca. 8 % could be successfully achieved over ZnO catalyst. (orig.)

  16. Conversion of methane to methanol in an ac dielectric barrier discharge

    International Nuclear Information System (INIS)

    Aghamir, F M; Matin, N S; Jalili, A H; Esfarayeni, M H; Khodagholi, M A; Ahmadi, R

    2004-01-01

    A dielectric barrier discharge (DBD) has been used to investigate the conversion of methane to methanol and higher hydrocarbons in ac non-equilibrium plasmas. Experiments were carried out at atmospheric pressure and ambient temperature. A non-equilibrium plasma was generated in a DBD reactor by applying a high voltage to the reactor electrodes. Activation of methane molecules led to the production of C 2 hydrocarbons and methanol. The effect of the applied voltage, residence time and feed mixture such as helium and oxygen on the methane conversion and product selectivity was studied. Helium appears to have no effect on the conversion and selectivity at our applied voltages. The methane conversion increases significantly on introduction of oxygen in the feed stream. Inclusion of oxygen leads to the formation of methanol. Our results show that production of methanol is initiated around an applied voltage of 12 kV and the conversion of methane increases with increasing voltage and residence time, while the product selectivity is independent of the applied voltage

  17. Systematic Search for Chemical Reactions in Gas Phase Contributing to Methanol Formation in Interstellar Space.

    Science.gov (United States)

    Gamez-Garcia, Victoria G; Galano, Annia

    2017-10-05

    A massive search for chemical routes leading to methanol formation in gas phase has been conducted using computational chemistry, at the CBS-QB3 level of theory. The calculations were performed at five different temperatures (100, 80, 50, 20, and 10 K) and at three pressures (0.1, 0.01, and 0.001 atm) for each temperature. The search was focused on identifying reactions with the necessary features to be viable in the interstellar medium (ISM). A searching strategy was applied to that purpose, which allowed to reduce an initial set of 678 possible reactions to a subset of 11 chemical routes that are recommended, for the first time, as potential candidates for contributing to methanol formation in the gas phase of the ISM. They are all barrier-less, and thus they are expected to take place at collision rates. Hopefully, including these reactions in the currently available models, for the gas-phase methanol formation in the ISM, would help improving the predicted fractional abundance of this molecule in dark clouds. Further investigations, especially those dealing with grain chemistry and electronic excited states, would be crucial to get a complete picture of the methanol formation in the ISM.

  18. Selectivity of Direct Methanol Fuel Cell Membranes

    Directory of Open Access Journals (Sweden)

    Antonino S. Aricò

    2015-11-01

    Full Text Available Sulfonic acid-functionalized polymer electrolyte membranes alternative to Nafion® were developed. These were hydrocarbon systems, such as blend sulfonated polyetheretherketone (s-PEEK, new generation perfluorosulfonic acid (PFSA systems, and composite zirconium phosphate–PFSA polymers. The membranes varied in terms of composition, equivalent weight, thickness, and filler and were investigated with regard to their methanol permeation characteristics and proton conductivity for application in direct methanol fuel cells. The behavior of the membrane electrode assemblies (MEA was investigated in fuel cell with the aim to individuate a correlation between membrane characteristics and their performance in a direct methanol fuel cell (DMFC. The power density of the DMFC at 60 °C increased according to a square root-like function of the membrane selectivity. This was defined as the reciprocal of the product between area specific resistance and crossover. The power density achieved at 60 °C for the most promising s-PEEK-based membrane-electrode assembly (MEA was higher than the benchmark Nafion® 115-based MEA (77 mW·cm−2 vs. 64 mW·cm−2. This result was due to a lower methanol crossover (47 mA·cm−2 equivalent current density for s-PEEK vs. 120 mA·cm−2 for Nafion® 115 at 60 °C as recorded at OCV with 2 M methanol and a suitable area specific resistance (0.15 Ohm cm2 for s-PEEK vs. 0.22 Ohm cm2 for Nafion® 115.

  19. Erythropoietin in Treatment of Methanol Optic Neuropathy.

    Science.gov (United States)

    Pakdel, Farzad; Sanjari, Mostafa S; Naderi, Asieh; Pirmarzdashti, Niloofar; Haghighi, Anousheh; Kashkouli, Mohsen B

    2018-06-01

    Methanol poisoning can cause an optic neuropathy that is usually severe and irreversible and often occurs after ingestion of illicit or homemade alcoholic beverages. In this study, we evaluated the potential neuroprotective effect of erythropoietin (EPO) on visual acuity (VA) in patients with methanol optic neuropathy. In a prospective, noncomparative interventional case series, consecutive patients with methanol optic neuropathy after alcoholic beverage ingestion were included. All patients initially received systemic therapy including metabolic stabilization and detoxification. Treatment with intravenous recombinant human EPO consisted of 20,000 units/day for 3 successive days. Depending on clinical response, some patients received a second course of EPO. VA, funduscopy, and spectral domain optical coherence tomography were assessed during the study. Main outcome measure was VA. Thirty-two eyes of 16 patients with methanol optic neuropathy were included. Mean age was 34.2 years (±13.3 years). The mean time interval between methanol ingestion and treatment with intravenous EPO was 9.1 days (±5.56 days). Mean follow-up after treatment was 7.5 months (±5.88 months). Median VA in the better eye of each patient before treatment was light perception (range: 3.90-0.60 logMAR). Median last acuity after treatment in the best eye was 1.00 logMAR (range: 3.90-0.00 logMAR). VA significantly increased in the last follow-up examination (P optic neuropathy and may represent a promising treatment for this disorder.

  20. Selectivity of Direct Methanol Fuel Cell Membranes.

    Science.gov (United States)

    Aricò, Antonino S; Sebastian, David; Schuster, Michael; Bauer, Bernd; D'Urso, Claudia; Lufrano, Francesco; Baglio, Vincenzo

    2015-11-24

    Sulfonic acid-functionalized polymer electrolyte membranes alternative to Nafion(®) were developed. These were hydrocarbon systems, such as blend sulfonated polyetheretherketone (s-PEEK), new generation perfluorosulfonic acid (PFSA) systems, and composite zirconium phosphate-PFSA polymers. The membranes varied in terms of composition, equivalent weight, thickness, and filler and were investigated with regard to their methanol permeation characteristics and proton conductivity for application in direct methanol fuel cells. The behavior of the membrane electrode assemblies (MEA) was investigated in fuel cell with the aim to individuate a correlation between membrane characteristics and their performance in a direct methanol fuel cell (DMFC). The power density of the DMFC at 60 °C increased according to a square root-like function of the membrane selectivity. This was defined as the reciprocal of the product between area specific resistance and crossover. The power density achieved at 60 °C for the most promising s-PEEK-based membrane-electrode assembly (MEA) was higher than the benchmark Nafion(®) 115-based MEA (77 mW·cm(-2) vs. 64 mW·cm(-2)). This result was due to a lower methanol crossover (47 mA·cm(-2) equivalent current density for s-PEEK vs. 120 mA·cm(-2) for Nafion(®) 115 at 60 °C as recorded at OCV with 2 M methanol) and a suitable area specific resistance (0.15 Ohm cm² for s-PEEK vs. 0.22 Ohm cm² for Nafion(®) 115).

  1. Methanol production from Eucalyptus wood chips. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Fishkind, H.H.

    1982-06-01

    This feasibility study includes all phases of methanol production from seedling to delivery of finished methanol. The study examines: production of 55 million, high quality, Eucalyptus seedlings through tissue culture; establishment of a Eucalyptus energy plantation on approximately 70,000 acres; engineering for a 100 million gallon-per-day methanol production facility; potential environmental impacts of the whole project; safety and health aspects of producing and using methanol; and development of site specific cost estimates.

  2. Experimental analysis of methanol cross-over in a direct methanol fuel cell

    Energy Technology Data Exchange (ETDEWEB)

    Casalegno, Andrea [Dipartimento di Energetica, Politecnico di Milano, Piazza Leonardo da Vinci 32, 20133 Milan (Italy)]. E-mail: andrea.casalegno@polimi.it; Grassini, Paolo [Dipartimento di Energetica, Politecnico di Milano, Piazza Leonardo da Vinci 32, 20133 Milan (Italy)]. E-mail: PGrassini@seal.it; Marchesi, Renzo [Dipartimento di Energetica, Politecnico di Milano, Piazza Leonardo da Vinci 32, 20133 Milan (Italy)]. E-mail: renzo.marchesi@polimi.it

    2007-03-15

    Methanol cross-over through the polymeric membrane is one of the main causes limiting direct methanol fuel cell performances. It causes fuel wasting and enhances cathode overpotential. A repeatable and reproducible measurement system, that assures the traceability of the measurement to international reference standards, is necessary to compare different fuel cell construction materials. In this work a method to evaluate methanol cross-over rate and operating condition influence is presented and qualified in term of measurement uncertainty. In the investigated range, the methanol cross-over rate results mainly due to diffusion through the membrane, in fact it is strongly affected by temperature. Moreover the cross-over influence on fuel utilization and fuel cell efficiency is investigated. The methanol cross-over rate appears linearly proportional to electrochemical fuel utilization and values, obtained by measurements at different anode flow rate but constant electrochemical fuel utilization, are roughly equal; methanol wasting, due to cross-over, is considerable and can still be higher than electrochemical utilization. The fuel recirculation effect on energy efficiency has been investigated and it was found that fuel recirculation gives more advantage at low temperature, but fuel cell energy efficiency results are in any event higher at high temperature.

  3. Experimental analysis of methanol cross-over in a direct methanol fuel cell

    International Nuclear Information System (INIS)

    Casalegno, Andrea; Grassini, Paolo; Marchesi, Renzo

    2007-01-01

    Methanol cross-over through the polymeric membrane is one of the main causes limiting direct methanol fuel cell performances. It causes fuel wasting and enhances cathode overpotential. A repeatable and reproducible measurement system, that assures the traceability of the measurement to international reference standards, is necessary to compare different fuel cell construction materials. In this work a method to evaluate methanol cross-over rate and operating condition influence is presented and qualified in term of measurement uncertainty. In the investigated range, the methanol cross-over rate results mainly due to diffusion through the membrane, in fact it is strongly affected by temperature. Moreover the cross-over influence on fuel utilization and fuel cell efficiency is investigated. The methanol cross-over rate appears linearly proportional to electrochemical fuel utilization and values, obtained by measurements at different anode flow rate but constant electrochemical fuel utilization, are roughly equal; methanol wasting, due to cross-over, is considerable and can still be higher than electrochemical utilization. The fuel recirculation effect on energy efficiency has been investigated and it was found that fuel recirculation gives more advantage at low temperature, but fuel cell energy efficiency results are in any event higher at high temperature

  4. Process and catalysts for the gasification of methanol. [German Patent

    Energy Technology Data Exchange (ETDEWEB)

    Harris, N.; Dennis, A.J.; Shevels, T.F.

    1975-02-13

    The invention concerns catalysts and catalytic processes for the gasification of methanol which is used to manufacture methane from methanol. Mixtures of iron and chromium oxide, phosphate, phosphoric acid, tungstate, tungstic acid, aluminium phosphate, aluminium oxide are suitable as dehydrating catalysts. Gasification takes place together with steam and dehydrogenating catalysts at high temperature. The molar ratios steam: methanol are described.

  5. FORMALDEHYDE DISMUTASE ACTIVITIES IN GRAM-POSITIVE BACTERIA OXIDIZING METHANOL

    NARCIS (Netherlands)

    BYSTRYKH, LV; GOVORUKHINA, NI; VANOPHEM, PW; HEKTOR, HJ; DIJKHUIZEN, L; DUINE, JA; Govorukhina, Natalya; Ophem, Peter W. van; Duine, Johannis A.

    Extracts of methanol-grown cells of Amycolatopsis methanolica and Mycobacterium gastri oxidized methanol and ethanol with concomitant reduction of N,N'-dimethyl-4-nitrosoaniline (NDMA). Anion-exchange chromatography revealed the presence of a single enzyme able to catalyse this activity in methanol-

  6. Acidities of Water and Methanol in Aqueous Solution and DMSO

    Science.gov (United States)

    Gao, Daqing

    2009-01-01

    The relative acidities of water and methanol have been a nagging issue. In gas phase, methanol is more acidic than water by 36.0 kJ/mol; however, in aqueous solution, the acidities of methanol and water are almost identical. The acidity of an acid in solution is determined by both the intrinsic gas-phase ionization Gibbs energy and the solvent…

  7. Comparison between constant methanol feed and on-line ...

    African Journals Online (AJOL)

    Two methanol feeding methods, namely constant methanol feed and on-line monitoring feed control by methanol sensor were investigated to improve the production of recombinant human growth hormone (rhGH) in high cell density cultivation of Pichia pastoris KM71 in 2 L bioreactor. The yeast utilized glycerol as a carbon ...

  8. Recent Advances in High-Performance Direct Methanol Fuel Cells

    Science.gov (United States)

    Narayanan, S. R.; Chun, W.; Valdez, T. I.; Jeffries-Nakamura, B.; Frank, H.; Surumpudi, S.; Halpert, G.; Kosek, J.; Cropley, C.; La Conti, A. B.; hide

    1996-01-01

    Direct methanol fuel cells for portable power applications have been advanced significantly under DARPA- and ARO-sponsored programs over the last five years. A liquid-feed, direct methanol fuel cell developed under these programs, employs a proton exchange membrane as electrolyte and operates on aqueous solutions of methanol with air or oxygen as the oxidant.

  9. Biological activities of Rumex dentatus L: Evaluation of methanol ...

    African Journals Online (AJOL)

    The methanol extracts of leaf and stem inhibited radish seed germination (70 and 61% respectively) and root length more than the hexane extracts. The R. dentatus methanol extract showed presence of alkaloids, saponins, anthraquinones and tannins while flavonoids were also found in both methanol as well as hexane ...

  10. Disinfectant effect of Methylated Ethanol against Listeria species

    Directory of Open Access Journals (Sweden)

    Y Yakubu

    2012-04-01

    Full Text Available This study was carried out in order to determine the disinfectant effect of Methylated spirit® (95% methanol and 5% ethanol as a teat dip against Listeria species. Hand milking was employed to collect 576 (288 x 2 raw milk samples from different lactating cows within Sokoto metropolis (Nigeria. 288 samples were collected before disinfecting the udder teats with Methylated spirit®, while the other 288 were collected after disinfection with Methylated spirit®. The samples were analyzed using selective culture and isolation technique in which the 288 samples collected before disinfection, 114 (39.6% were positive for Listeria species. Among the positive samples 44 (38.6% were Listeria innocua, 16 (14.0% Listeria ivanovii, 36 (31.6% Listeria monocytogenes, 11 (9.6% Listeria welshimeri and 7 (6.1% Listeria seeligeri, while none of the 288 samples collected after disinfection was positive. The study has shown high prevalence of Listeria species in milk collected without washing/disinfecting the teats and has also established the sensitivity of Listeria species to methylated ethanol which can be used as dip for disinfecting udder teats before milking in order to prevent contamination with Listeria species and other methylated spirit-sensitive organisms. This study is essential to educate Fulani herdsmen and other milk handlers on the importance of disinfecting udder teats before milking. [Vet. World 2012; 5(2.000: 91-93

  11. The deep-subsurface sulfate reducer Desulfotomaculum kuznetsovii employs two methanol-degrading pathways

    NARCIS (Netherlands)

    Sousa, Diana Z.; Visser, Michael; Gelder, Van Antonie H.; Boeren, Sjef; Pieterse, Mervin M.; Pinkse, Martijn W.H.; Verhaert, Peter D.E.M.; Vogt, Carsten; Franke, Steffi; Kümmel, Steffen; Stams, Alfons J.M.

    2018-01-01

    Methanol is generally metabolized through a pathway initiated by a cobalamine-containing methanol methyltransferase by anaerobic methylotrophs (such as methanogens and acetogens), or through oxidation to formaldehyde using a methanol dehydrogenase by aerobes. Methanol is an important substrate in

  12. Active control of methanol carbonylation selectivity over Au/carbon anode by electrochemical potential.

    Science.gov (United States)

    Funakawa, Akiyasu; Yamanaka, Ichiro; Otsuka, Kiyoshi

    2005-05-12

    Electrochemical oxidative carbonylation of methanol was studied over Au supported carbon anode in CO. The major carbonylation products were dimethyl oxalate (DMO) and dimethyl carbonate (DMC). The minor oxidation products were dimethoxy methane (DMM) and methyl formate (MF) from methanol and CO(2). Influences of various reaction conditions were studied on carbonylation activities and selectivities. The selectivities to DMO and DMC can be controlled by the electrochemical potential. Electrocatalysis of Au/carbon anode was studied by cyclic voltammetry (CV), stoichiometric reactions among Au(3+), methanol, and CO, and UV-vis spectra. The Au/carbon anode was characterized by XRD, SEM, and BE images before and after the carbonylation. These experimental facts strongly suggest that transition of oxidation states of Au affects changing of the carbonylation selectivities to DMO and DMC. Au(0) is the active species for the selective DMO formation by direct electrochemical carbonylation at low potentials (selective DMC formation by indirect electrochemical carbonylation through Au(3+)/Au(+) redox at high potentials (>+1.3 V).

  13. Esterification of Palmitic Acid with Methanol in the Presence of Macroporous Ion Exchange Resin as Catalyst

    Directory of Open Access Journals (Sweden)

    Amelia Qarina Yaakob and Subhash Bhatia

    2012-10-01

    Full Text Available The esterification of palmitic acid with methanol was studied in a batch reactor using macro porous ion exchange resin Amberlyst 15 as a catalyst. Methyl palmitate was produced from the reaction between palmitic acid and methanol in the presence of catalyst. The effects of processing parameters, molar ratio of alcohol to acid M, (4-10, catalyst loading (0-10 g cat/liter, water inhibition (0-2 mol/liter, agitator speed (200-800 rpm and reaction temperature (343-373K were studied. The experimental kinetic data were correlated using homogenous as well as heterogeneous models (based on single as well as dual site mechanisms. The activation energy of the reaction was 11.552 kJ/mol for forward reaction whilst 5.464 kJ/mol for backward reaction. The experimental data fitted well with the simulated data obtained from the kinetic models. Keywords: Palmitic Acid, Methanol, Esterification, Ion Exchange Resin, Kinetics.

  14. Analysis of transesterification comparing processes with methanol and ethanol for biodiesel production

    Energy Technology Data Exchange (ETDEWEB)

    Pighinelli, Anna Leticia Montenegro Turtelli; Zorzeto, Thais Queiroz; Park, Kil Jin [Universidade Estadual de Campinas (FEAGRI/UNICAMP), SP (Brazil). Fac. de Engenharia Agricola], E-mail: annalets@feagri.unicamp.br; Bevilaqua, Gabriela [Universidade Estadual de Campinas (UNICAMP), SP (Brazil). Inst. de Quimica

    2008-07-01

    The increasing demand for energy on the industrialized world stimulates researches in a renewable fuel. Biodiesel appears like an alternative and utilizes a vegetable oil or animal fat as raw material. The most common method for conversion of the raw material in fuel that can be utilized in Diesel engines is called transesterification. Brazil has a big agricultural potential to produce grains and oils. One of them is the peanut oil that is predominantly cultivated in the southeast of Brazil. There is a prevision that the peanut production reaches 232 thousand tons this year. In this work was evaluated the methanol transesterification and ethanol transesterification of peanut oil using a basic catalyst. The comparison between reactions with the two alcohols showed that methyl esters yield was greater than ethyl esters, with maximum yield of 88.04% for methanol and 84.64% for ethanol. Besides the higher yield, reactions with methanol are easily conducted than with ethanol, the biodiesel purification treatment of final product is quickly and the separation between esters and glycerol is instantaneous. (author)

  15. Biodiesel synthesis by direct transesterification of microalga Botryococcus braunii with continuous methanol reflux.

    Science.gov (United States)

    Hidalgo, Pamela; Ciudad, Gustavo; Schober, Sigurd; Mittelbach, Martin; Navia, Rodrigo

    2015-04-01

    Direct transesterification of Botryococcus braunii with continuous acyl acceptor reflux was evaluated. This method combines in one step lipid extraction and esterification/transesterification. Fatty acid methyl esters (FAME) synthesis by direct conversion of microalgal biomass was carried out using sulfuric acid as catalyst and methanol as acyl acceptor. In this system, once lipids are extracted, they are contacted with the catalyst and methanol reaching 82%wt of FAME yield. To optimize the reaction conditions, a factorial design using surface response methodology was applied. The effects of catalyst concentration and co-solvent concentration were studied. Hexane was used as co-solvent for increasing lipid extraction performance. The incorporation of hexane in the reaction provoked an increase in FAME yield from 82% (pure methanol) to 95% when a 47%v/v of hexane was incorporated in the reaction. However, the selectivity towards non-saponifiable lipids such as sterols was increased, negatively affecting biodiesel quality. Copyright © 2015 Elsevier Ltd. All rights reserved.

  16. Techno-economic analysis of biodiesel production from Jatropha curcas via a supercritical methanol process

    International Nuclear Information System (INIS)

    Yusuf, N.N.A.N.; Kamarudin, S.K.

    2013-01-01

    Highlights: • This paper presents the techno-economic of a production of biodiesel from JCO. • The results obtained 99.96% of biodiesel with 96.49% of pure glycerol. • This proved that biodiesel from JCO is the least expensive compare to other resources. - Abstract: This paper presents the conceptual design and economic evaluation of a production of methyl esters (biodiesel) from Jatropha curcas oil (JCO) via a supercritical methanol process with glycerol as a by-product. The process consists of four major units: transesterification (PFR), methanol recovery (FT) and (DC1), recovery of glycerol (DEC), and biodiesel purification (DC2). The material and heat balance are also presented here. A biodiesel production of 40,000 tonnes-yr −1 is taken as case study. Biodiesel obtained from supercritical transesterification with Jatropha curcas oil as feedstock resulting in high purity methyl esters (99.96%) with almost pure glycerol (96.49%) obtained as by-product. The biodiesel can be sold at USD 0.78 kg −1 , while the manufacturing and capital investment costs are in the range of USD 25.39 million-year −1 and USD 9.41 million year −1 , respectively. This study proved that biodiesel from JCO is the least expensive with purities comparable to those found in other studies

  17. Biodiesel from Jojoba oil-wax: Transesterification with methanol and properties as a fuel

    Energy Technology Data Exchange (ETDEWEB)

    Canoira, Laureano; Alcantara, Ramon; Garcia-Martinez, Jesus; Carrasco, Jesus [Department of Chemical Engineering and Fuels, School of Mines, Polytechnic University of Madrid, Rios Rosas 21, 28003-Madrid (Spain)

    2006-01-15

    The Jojoba oil-wax is extracted from the seeds of the Jojoba (Simmondsia chinensis Link Schneider), a perennial shrub that grows in semi desert areas in some parts of the world. The main uses of Jojoba oil-wax are in the cosmetics and pharmaceutical industry, but new uses could arise related to the search of new energetic crops. This paper summarizes a process to convert the Jojoba oil-wax to biodiesel by transesterification with methanol, catalysed with sodium methoxide (1wt% of the oil). The transesterification reaction has been carried out in an autoclave at 60 deg C, with a molar ratio methanol/oil 7.5:1, and vigorous stirring (600rpm), reaching a quantitative conversion of the oil after 4h. The separation of the fatty acid methyl esters (the fraction rich in FAME, 79% FAME mixture; 21% fatty alcohols; 51% of methyl cis-11-eicosenoate) from the fatty alcohols rich fraction (72% fatty alcohols; 28% FAME mixture; 26% of cis-11-eicosen-1-ol, 36% of cis-13-docosen-1-ol) has been accomplished in a single crystallization step at low temperature (-18 deg C) from low boiling point petroleum ether. The fraction rich in FAME has a density (at 15 deg C), a kinematic viscosity (at 40 deg C), a cold filter plugging point and a high calorific value in the range of the European standard for biodiesel (EN 14214)

  18. KINETICS OF PALM OIL TRANSESTERIFICATION IN METHANOL WITH POTASSIUM HYDROXIDE AS A CATALYST

    Directory of Open Access Journals (Sweden)

    Yoeswono Yoeswono

    2010-06-01

    Full Text Available A study on palm oil transesterification to evaluate the effect of some parameters in the reaction on the reaction kinetics has been carried out. Transesterification was started by preparing potassium methoxide from potassium hydroxide and methanol and then mixed it with the palm oil. An aliquot was taken at certain time interval during transesterification and poured into test tube filled with distilled water to stop the reaction immediately. The oil phase that separated from the glycerol phase by centrifugation was analyzed by 1H-NMR spectrometer to determine the percentage of methyl ester conversion. Temperature and catalyst concentration were varied in order to determine the reaction rate constants, activation energies, pre-exponential factors, and effective collisions. The results showed that palm oil transesterification in methanol with 0.5 and 1 % w/w KOH/palm oil catalyst concentration appeared to follow pseudo-first order reaction. The rate constants increase with temperature. After 13 min of reaction, More methyl esters were formed using KOH 1 % than using 0.5 % w/w KOH/palm oil catalyst concentration. The activation energy (Ea and pre-exponential factor (A for reaction using 1 % w/w KOH was lower than those using 0.5 % w/w KOH.   Keywords: palm oil, transesterification, catalyst, first order kinetics, activation energy, pre-exponential factor

  19. (E-2-Methyl-6-{[(5-methylpyridin-2-ylimino]methyl}phenol

    Directory of Open Access Journals (Sweden)

    Md. Azharul Arafath

    2017-01-01

    Full Text Available In the title compound, C14H14N2O, the dihedral angle between the aromatic rings is 5.54 (9°. The conformation is reinforced by an intramolecular O—H...N hydrogen bond, which closes an S(6 ring. The pyridine N atom and methyl group lie to opposite sides of the molecule. In the crystal, the molecules are linked into a zigzag chain propagating in [0-11] by weak C—H...O hydrogen bonds.

  20. 2-Bromo-2-methyl-N-p-tolylpropanamide

    Directory of Open Access Journals (Sweden)

    Rodolfo Moreno-Fuquen

    2011-06-01

    Full Text Available In the title molecule, C11H14BrNO, there is twist between the mean plane of the amide group and the benzene ring [C(=O—N—C...;C torsion angle = −31.2 (5°]. In the crystal, intermolecular N—H...O and weak C—H...O hydrogen bonds link molecules into chains along [100]. The methyl group H atoms are disordered over two sets of sites with equal occupancy.

  1. SEARCH FOR INTERSTELLAR METHOXYACETONITRILE AND CYANOETHANOL: INSIGHTS INTO COUPLING OF CYANO- TO METHANOL AND AMMONIA CHEMISTRY

    International Nuclear Information System (INIS)

    Braakman, R.; Belloche, A.; Menten, K. M.; Blake, G. A.

    2010-01-01

    As part of an effort to study gas-grain chemical models in star-forming regions as they relate to molecules containing cyanide (-C≡N) groups, we present here a search for the molecules 2-cyanoethanol (OHCH 2 CH 2 CN) and methoxyacetonitrile (CH 3 OCH 2 CN) in the galactic center region SgrB2. These species are structural isomers of each other and are targeted to investigate the cross-coupling of pathways emanating from the photolysis products of methanol and ammonia with pathways involving cyano-containing molecules. Methanol and ammonia ices are two of the main repositories of the elements C, O, and N in cold clouds and understanding their link to cyanide chemistry could give important insights into prebiotic molecular evolution. Neither species was positively detected, but the upper limits we determined allow comparison to the general patterns gleaned from chemical models. Our results indicate the need for an expansion of the model networks to better deal with cyano-chemistry, in particular with respect to pathways including products of methanol photolysis. In addition to these results, the two main observational routes for detecting new interstellar molecules are discussed. One route is by decreasing detection limits at millimeter wavelength through spatial filtering with interferometric studies at the Atacama Large Millimeter Array (ALMA), and the second is by searching for intense torsional states at THz frequencies using the Herschel Space Observatory. 2-cyanoethanol and methoxyacetonitrile would both be good test beds for exploring the capabilities of ALMA and Herschel in the study of complex interstellar chemistry.

  2. Compact Fuel-Cell System Would Consume Neat Methanol

    Science.gov (United States)

    Narayanan, Sekharipuram; Kindler, Andrew; Valdez, Thomas

    2007-01-01

    In a proposed direct methanol fuel-cell electric-power-generating system, the fuel cells would consume neat methanol, in contradistinction to the dilute aqueous methanol solutions consumed in prior direct methanol fuel-cell systems. The design concept of the proposed fuel-cell system takes advantage of (1) electro-osmotic drag and diffusion processes to manage the flows of hydrogen and water between the anode and the cathode and (2) evaporative cooling for regulating temperature. The design concept provides for supplying enough water to the anodes to enable the use of neat methanol while ensuring conservation of water for the whole fuel-cell system.

  3. Electrical double layer structure at the gallium metals in a methanol solution of a surface-inactive electrolyte

    International Nuclear Information System (INIS)

    Emets, V.V.

    1997-01-01

    The structure of double electric layer on Ga-, In-Ga- and Tl-Ga-electrodes in methanol solutions of surface-inactive electrolyte has been studied. It is shown that in the absence of chemisorption interaction between metal and solvent, the distance of the nearest approach of methanol dipoles to the surface of Ga-, In-Ga- and Tl-Ga-electrodes is practically the same. Accordingly, the specificity of the metals contact with solvent is reduced solely to their chemisorption interaction. In the zero charge area and for negative charges the chemisorption interaction with methanol molecules increases in the sequence Tl-Ga< In-Ga< Ga. The growth correlates both with the metals acceptor ability towards electron, which is characterized by the work of metal electron escape to vacuum, and donor ability of the solvent characterized by its donor number

  4. Mechanisms of ultrafast fluorescence depletion spectroscopy and applications to measure slovation dynamics of coummarin 153 in methanol

    International Nuclear Information System (INIS)

    Yang Songqiu; Liu Jianyong; Zhou Panwang; Chen Junsheng; Han Keli; He Guozhong

    2012-01-01

    Subpicosecond fluorescence depletion spectroscopy (FDS) was used to measure the solvation dynamics of coumarin 153 (C153) in methanol. The FDS mechanisms were discussed. A quasi-continuous model was used to describe the solvational relaxation of excited states. The perturbations of the probe pulse on the excited sample system, including up-conversion and stimulated emission, were sufficiently discussed. For a probe molecule used in the FDS experiment, ensuring that the up-conversion perturbation can be negligible is important. FDS was found to be a good technique for measuring the solvation dynamics of C153 in methanol. - Highlights: ► Mechanisms of subpicosecond fluorescence depletion spectroscopy. ► Quasi-continuous model was used to describe the solvational relaxation. ► The solvation dynamics of coumarin 153 in methanol has been measured.

  5. Effect of Temperature and High Pressure on the Activity and Mode of Action of Fungal Pectin Methyl Esterase

    NARCIS (Netherlands)

    Duvetter, T.; Fraeye, I.; Sila, D.N.; Verlent, I.; Smout, C.; Clynen, E.; Schoofs, L.; Schols, H.A.; Hendrickx, M.; Loey, van A.

    2006-01-01

    Pectin was de-esterified with purified recombinant Aspergillus aculeatus pectin methyl esterase (PME) during isothermal-isobaric treatments. By measuring the release of methanol as a function of treatment time, the rate of enzymatic pectin conversion was determined. Elevated temperature and pressure

  6. Electrochemical iodination of C-methyl derivatives of dodecahydro-7,8-dicarba-nido-undecaborate anion

    International Nuclear Information System (INIS)

    Rudakov, D.A.; Shirokij, V.L.; Potkin, V.I.; Dikusar, E.A.; Bragin, V.I.; Petrovskij, P.V.; Sivaev, I.B.; Bregadze, V.I.; Kisin, A.V.

    2006-01-01

    Electrochemical iodination of potassium 7-methyl-7,8-dicarba-nido-undecaborate and potassium 7,8-dimethyl-7,8-dicarba-nido-undecaborate in methanol at 50 deg C was used to prepare their monoiodide derivatives (isolated as tetramethylammonium salts). Their composition and structure are confirmed by elemental analysis, 1 H, 11 B NMR and IR spectra [ru

  7. SYNTHESIS OF METHYL TERT-BUTYL ETHER CATALYZED BY ACIDIC ION-EXCHANGE RESINS - INFLUENCE OF THE PROTON ACTIVITY

    NARCIS (Netherlands)

    PANNEMAN, HJ; BEENACKERS, AACM

    1995-01-01

    The catalytic activity of various strong acid ion-exchange resins on the synthesis of methyl tert-butyl ether (MtBE) from methanol and isobutene has been investigated. Relative to Amberlyst 15, Kastel CS 381 and Amberlyst CSP have similar rate constants, whereas Duolite ES 276 and Amberlyst XE 307

  8. Silicon Based Direct Methanol Fuel Cells

    DEFF Research Database (Denmark)

    Larsen, Jackie Vincent

    The purpose of this project has been to investigate and fabricate small scale Micro Direct Methanol Fuel Cells (μDMFC). They are investigated as a possible alternative for Zinc-air batteries in small size consumer devices such as hearing aids. In such devices the conventional rechargeable batteries...... such as lithium-ion batteries have insufficiently low energy density. Methanol is a promising fuel for such devices due to the high energy density and ease of refueling compared to charging batteries, making μDMFC a suitable replacement energy source. In this Ph.D. dissertation, silicon micro fabrication...... techniques where utilized to build μDMFCs with the purpose of engineering the structures, both on the micro and nano scales in order to realize a high level of control over the membrane and catalyst components. The work presents four different monolithic fuel cell designs. The primary design is based...

  9. Self regulation in the methanol industry

    International Nuclear Information System (INIS)

    Hymas, R.; Wilkes, P.

    1995-01-01

    The methanol industry is not known for a high degree of self-regulation, as one can see from a glance at historic price volatility, and historic demand/supply curves. Industry enthusiasts spend considerable effort attempting to improve their understanding of the industry by analyzing the abundance of data produced within the industry about these topics, usually without resulting in any definitive correlations. Rational planning within the industry is hindered by these factors as well as the large number of new production facilities continuously being announced. Against this background however demand has significantly increased, supply has kept up with demand, methanol plants structured on a rational basis have continued to be built, and in spite of wildly fluctuating product prices all established members of the industry apparently flourish. Historic trends, new entrants, and industry achievements are discussed

  10. Notes on HTR applications in methanol production

    International Nuclear Information System (INIS)

    Santoso, B.; Barnert, H.

    1997-01-01

    Notes on the study of HTR applications are presented. The study in particular should be directed toward the most feasible applications of HTR for process heat generation. A prospective study is the conversion of CO 2 gas from Natuna to methanol or formic acid. Further studies needs to be deepened under the auspices of IAEA and countries that have similar interest. (author). 3 refs, 3 figs

  11. A New 95 GHz Methanol Maser Catalog. I. Data

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Wenjin; Xu, Ye; Lu, Dengrong; Ju, Binggang; Li, Yingjie [Purple Mountain Observatory, Chinese Academy of Science, Nanjing 210008 (China); Chen, Xi [Center for Astrophysics, GuangZhou University, Guangzhou 510006 (China); Ellingsen, Simon P., E-mail: wjyang@pmo.ac.cn, E-mail: xuye@pmo.ac.cn, E-mail: chenxi@shao.ac.cn [School of Physical Sciences, University of Tasmania, Hobart, Tasmania (Australia)

    2017-08-01

    The Purple Mountain Observatory 13.7 m radio telescope has been used to search for 95 GHz (8{sub 0}–7{sub 1}A{sup +}) class I methanol masers toward 1020 Bolocam Galactic Plane Survey (BGPS) sources, leading to 213 detections. We have compared the line width of the methanol and HCO{sup +} thermal emission in all of the methanol detections, and on that basis, we find that 205 of the 213 detections are very likely to be masers. This corresponds to an overall detection rate of 95 GHz methanol masers toward our BGPS sample of 20%. Of the 205 detected masers, 144 (70%) are new discoveries. Combining our results with those of previous 95 GHz methanol maser searches, a total of 481 95 GHz methanol masers are now known. We have compiled a catalog listing the locations and properties of all known 95 GHz methanol masers.

  12. Study on fuel supplying method and methanol concentration sensor for the high efficient operation of methanol fuel cells. Methanol nenryo denchi no unten ni okeru nenryo kyokyu hoho no kento to methanol nodo sensor no kaihatsu

    Energy Technology Data Exchange (ETDEWEB)

    Tsukui, Tsutomu; Doi, Ryota; Yasukawa, Saburo; Kuroda, Osamu [Hirachi, Ltd., Tokyo, (Japan)

    1990-01-20

    A fuel supplying method was studied and demonstrated, essential to the high efficient operation of methanol fuel cells. Methanol and water were supplied independently from each tank to an anordic electrolyte tank in a circulating system, detecting a methanol concentration and liquid level of anordic electrolyte by each sensor, respectively. A methanol sensor was also developed to detect accurately the concentration based on electrochemical reaction under a constant voltage. A detection control circuit was insulated from a constant-voltage power supply to prevent external noises. The methanol sensor output was compensated for temperature, and a new level sensing method was adopted to send out a command comparing different responses to electrolyte shortage. As the methanol fuel cell was operated with this fuel supplying system, the stable characteristics of the cell were obtained within the variation of {plus minus} 0.1mol/l from the specified methanol concentration. 6 refs., 17 figs., 1 tab.

  13. Uptake of methanol on mixed HNO3/H2O clusters: An absolute pickup cross section

    Science.gov (United States)

    Pysanenko, A.; Lengyel, J.; Fárník, M.

    2018-04-01

    The uptake of atmospheric oxidized organics on acid clusters is relevant for atmospheric new particle formation. We investigate the pickup of methanol (CH3OH) on mixed nitric acid-water clusters (HNO3)M(H2O)N by a combination of mass spectrometry and cluster velocity measurements in a molecular beam. The mass spectra of the mixed clusters exhibit (HNO3)m(H2O)nH+ series with m = 0-3 and n = 0-12. In addition, CH3OH.(HNO3)m(H2O)nH+ series with very similar patterns appear in the spectra after the methanol pickup. The velocity measurements prove that the undoped (HNO3)m(H2O)nH+ mass peaks in the pickup spectra originate from the neutral (HNO3)M(H2O)N clusters which have not picked up any CH3OH molecule, i.e., methanol has not evaporated upon the ionization. Thus the fraction of the doped clusters can be determined and the mean pickup cross section can be estimated, yielding σs ¯ ≈ 20 Å2. This is compared to the lower estimate of the mean geometrical cross section σg ¯ ≈ 60 Å2 obtained from the theoretical cluster geometries. Thus the "size" of the cluster corresponding to the methanol pickup is at least 3-times smaller than its geometrical size. We have introduced a method which can yield the absolute pickup cross sections relevant to the generation and growth of atmospheric aerosols, as illustrated in the example of methanol and nitric acid clusters.

  14. Liquid methanol under a static electric field

    Energy Technology Data Exchange (ETDEWEB)

    Cassone, Giuseppe, E-mail: giuseppe.cassone@impmc.upmc.fr [Sorbonne Universités, UPMC Univ Paris 06, UMR 7590, IMPMC, F-75005 Paris (France); CNRS, UMR 7590, IMPMC, F-75005 Paris (France); Università degli Studi di Messina, Dipartimento di Fisica e di Scienze della Terra, Contrada Papardo, 98166 Messina (Italy); CNR-IPCF, Viale Ferdinando Stagno d’Alcontres 37, 98158 Messina (Italy); Giaquinta, Paolo V., E-mail: paolo.giaquinta@unime.it [Università degli Studi di Messina, Dipartimento di Fisica e di Scienze della Terra, Contrada Papardo, 98166 Messina (Italy); Saija, Franz, E-mail: saija@ipcf.cnr.it [CNR-IPCF, Viale Ferdinando Stagno d’Alcontres 37, 98158 Messina (Italy); Saitta, A. Marco, E-mail: marco.saitta@impmc.upmc.fr [Sorbonne Universités, UPMC Univ Paris 06, UMR 7590, IMPMC, F-75005 Paris (France); CNRS, UMR 7590, IMPMC, F-75005 Paris (France)

    2015-02-07

    We report on an ab initio molecular dynamics study of liquid methanol under the effect of a static electric field. We found that the hydrogen-bond structure of methanol is more robust and persistent for field intensities below the molecular dissociation threshold whose value (≈0.31 V/Å) turns out to be moderately larger than the corresponding estimate obtained for liquid water. A sustained ionic current, with ohmic current-voltage behavior, flows in this material for field intensities above 0.36 V/Å, as is also the case of water, but the resulting ionic conductivity (≈0.40 S cm{sup −1}) is at least one order of magnitude lower than that of water, a circumstance that evidences a lower efficiency of proton transfer processes. We surmise that this study may be relevant for the understanding of the properties and functioning of technological materials which exploit ionic conduction, such as direct-methanol fuel cells and Nafion membranes.

  15. Lightweight Stacks of Direct Methanol Fuel Cells

    Science.gov (United States)

    Narayanan, Sekharipuram; Valdez, Thomas

    2004-01-01

    An improved design concept for direct methanol fuel cells makes it possible to construct fuel-cell stacks that can weigh as little as one-third as much as do conventional bipolar fuel-cell stacks of equal power. The structural-support components of the improved cells and stacks can be made of relatively inexpensive plastics. Moreover, in comparison with conventional bipolar fuel-cell stacks, the improved fuel-cell stacks can be assembled, disassembled, and diagnosed for malfunctions more easily. These improvements are expected to bring portable direct methanol fuel cells and stacks closer to commercialization. In a conventional bipolar fuel-cell stack, the cells are interspersed with bipolar plates (also called biplates), which are structural components that serve to interconnect the cells and distribute the reactants (methanol and air). The cells and biplates are sandwiched between metal end plates. Usually, the stack is held together under pressure by tie rods that clamp the end plates. The bipolar stack configuration offers the advantage of very low internal electrical resistance. However, when the power output of a stack is only a few watts, the very low internal resistance of a bipolar stack is not absolutely necessary for keeping the internal power loss acceptably low.

  16. Photolysis of oxyfluorfen in aqueous methanol.

    Science.gov (United States)

    Chakraborty, Subhasish K; Chakraborty, Savitri; Bhattacharyya, Anjan; Chowdhury, Ashim

    2013-01-01

    Photolysis of oxyfluorfen, an herbicide of the nitrodiphenyl ether class, was studied in aqueous methanol under UV and sunlight. UV irradiation was carried out in a borosilicate glass photoreactor (containing 250 ppm oxyfluorfen in 50% aqueous methanol) equipped with a quartz filter and 125 watt mercury lamp (maximum output 254 nm) at 25 ± 1°C. Sunlight irradiation was conducted at 28 ± 1°C in borosilicate Erlenmeyer flasks containing 250 ppm oxyfluorfen in 50% aqueous methanol. The samples from both the irradiated conditions were withdrawn at a definite time interval and extracted to measure oxyfluorfen content by gas chromatography-flame ionization detector for rate study. The half-life values were 20 hours and 2.7 days under UV and sunlight exposure, respectively. Photolysis of oxyfluorfen yielded 13 photoproducts of which three were characterized by infrared spectrophotometer and (1)H NMR and (13)C NMR spectroscopy. The rest of the photoproducts were identified by gas chromatography-mass spectrometry (GC-MS) and thin layer chromatography (TLC). An ionization potential 70 eV was used for electron impact-mass spectrometry (EI-MS) and methane was used as reagent gas for chemical ionization-mass spectrometry (CI-MS). Two of the photoproducts were also synthesized for comparison. The main phototransformation pathways of oxyfluorfen involved nitro reduction, dechlorination, and hydrolysis as well as nucleophiles displacement reaction.

  17. Tetraphenylphosphonium iodide–1,3,5-trifluoro-2,4,6-triiodobenzene–methanol (3/4/1

    Directory of Open Access Journals (Sweden)

    Gabriella Cavallo

    2013-06-01

    Full Text Available The crystallization of a 1:1 molar solution of 1,3,5-trifluoro-2,4,6-diiodobenzene (TFTIB and tetraphenylphosponium iodide (TPPI from methanol produced tetragonal needles of pure TPPI and tabular pseudo-hexagonal truncated bipyramids of the title compound, 3C24H20P+·3I−·4C6F3I3·CH4O or (TPPI3(TFTIB4·MeOH. The asymmetric unit is composed of six TPPI molecules, eight TFTIB molecules and two methanol molecules, overall 16 constituents. The formation of the architecture is essentially guided by a number of C—I...I− halogen bonds (XB, whose lengths are in the range 3.276 (1–3.625 (1 Å. Layers of supramolecular polyanions are formed parallel to (10-1 wherein iodide anions function as penta-, tetra- or bidentate XB acceptors. The structure is not far from being P21/n, but the centrosymmetry is lost due to a different conformation of a single couple of cations and the small asymmetry in the formed supramolecular anion. One methanol molecule is hydrogen bonded to an iodide anion, while the second is linked to the first one via an O—H...O contact. This second methanol molecule is more loosely pinned in its position than the first and presents very high anisotropic displacement parameters and a seeming shortening of the C—O bond length. The crystal studied was refined as a perfect inversion twin.

  18. Free energy of mixing of acetone and methanol: a computer simulation investigation.

    Science.gov (United States)

    Idrissi, Abdenacer; Polok, Kamil; Barj, Mohammed; Marekha, Bogdan; Kiselev, Mikhail; Jedlovszky, Pál

    2013-12-19

    The change of the Helmholtz free energy, internal energy, and entropy accompanying the mixing of acetone and methanol is calculated in the entire composition range by the method of thermodynamic integration using three different potential model combinations of the two compounds. In the first system, both molecules are described by the OPLS, and in the second system, both molecules are described by the original TraPPE force field, whereas in the third system a modified version of the TraPPE potential is used for acetone in combination with the original TraPPE model of methanol. The results reveal that, in contrast with the acetone-water system, all of these three model combinations are able to reproduce the full miscibility of acetone and methanol, although the thermodynamic driving force of this mixing is very small. It is also seen, in accordance with the finding of former structural analyses, that the mixing of the two components is driven by the entropy term corresponding to the ideal mixing, which is large enough to overcompensate the effect of the energy increase and entropy loss due to the interaction of the unlike components in the mixtures. Among the three model combinations, the use of the original TraPPE model of methanol and modified TraPPE model of acetone turns out to be clearly the best in this respect, as it is able to reproduce the experimental free energy, internal energy, and entropy of mixing values within 0.15 kJ/mol, 0.2 kJ/mol, and 1 J/(mol K), respectively, in the entire composition range. The success of this model combination originates from the fact that the use of the modified TraPPE model of acetone instead of the original one in these mixtures improves the reproduction of the entropy of mixing, while it retains the ability of the original model of excellently reproducing the internal energy of mixing.

  19. Methanol utilizing Desulfotomaculum species utilizes hydrogen in a methanol-fed sulfate-reducing bioreactor.

    Science.gov (United States)

    Balk, Melike; Weijma, Jan; Goorissen, Heleen P; Ronteltap, Mariska; Hansen, Theo A; Stams, Alfons J M

    2007-01-01

    A sulfate-reducing bacterium, strain WW1, was isolated from a thermophilic bioreactor operated at 65 degrees C with methanol as sole energy source in the presence of sulfate. Growth of strain WW1 on methanol or acetate was inhibited at a sulfide concentration of 200 mg l(-1), while on H2/CO2, no apparent inhibition occurred up to a concentration of 500 mg l(-1). When strain WW1 was co-cultured under the same conditions with the methanol-utilizing, non-sulfate-reducing bacteria, Thermotoga lettingae and Moorella mulderi, both originating from the same bioreactor, growth and sulfide formation were observed up to 430 mg l(-1). These results indicated that in the co-cultures, a major part of the electron flow was directed from methanol via H2/CO2 to the reduction of sulfate to sulfide. Besides methanol, acetate, and hydrogen, strain WW1 was also able to use formate, malate, fumarate, propionate, succinate, butyrate, ethanol, propanol, butanol, isobutanol, with concomitant reduction of sulfate to sulfide. In the absence of sulfate, strain WW1 grew only on pyruvate and lactate. On the basis of 16S rRNA analysis, strain WW1 was most closely related to Desulfotomaculum thermocisternum and Desulfotomaculum australicum. However, physiological properties of strain WW1 differed in some aspects from those of the two related bacteria.

  20. [Isolation of a methanol-utilizing strain and its application for determining methanol].

    Science.gov (United States)

    Guo, Jun; Gao, Wei; Zhang, Qiang; Qu, Fei; Lu, Dongtao; Zheng, Jun; Pang, Jinmei; Yang, Yujing

    2013-08-04

    To isolate and characterize bacteria that can be used todevelop microbial biosensor for methanol (MeOH) determination. We used selective medium and streak plate to isolate bacteria. Morphological, physiological characteristics and 16S rDNA sequence analysis were used to identify the strain. An MeOH biosensor was then developed by immobilizing M211 along with dissolved oxygen (O2) sensor. An MeOH utilizing bacterium was isolated from biogas-producing tank using methanol as the sole carbon source, and identified as Methylobacteriumorganophilium. Decrease of O2 concentration is linearly related to the MeOH concentration in the range from 0.02% to 1%, with the MeOH detection limit of 0.27 mg/L. The response time of the biosensor is within 20 min. Furthermore, the result of interference test and the detection of methanol sample are both satisfactory. Good results are obtained in interference test and the detection of methanol sample. The proposed method seems very attractive in monitoring methanol.

  1. Quantitative determination of conjugated linoleic acid and polyunsaturated fatty acids in milk with C17:0 as internal marker – Evaluation of different methylation procedures

    Directory of Open Access Journals (Sweden)

    S. Lashkari

    2017-12-01

    Full Text Available Fatty acids are commonly analysed by gas chromatography as their corresponding fatty acid (FA methyl esters (FAME. For quantitative determination of individual FA an internal standard like C17:0 is necessary. Conjugated FA and polyunsaturated fatty acid (PUFA represents a challenge in the methylation steps, as they are sensitive to pH changes and oxidation. The present study was carried out to determine the efficiency of different methylation procedures on quantitative determination of conjugated linoleic acid (CLA, PUFA and response of internal standard. The highest response of internal standard was observed for boron trifluoride (BF3/methanol and methanolic HCl followed by NaOCH3, while cis-9, trans-11 CLA, total CLA and PUFA was higher with methanolic HCl followed by NaOCH3 compared with the BF3 method. These data can be useful for quantitating of milk FA. Keywords: Methylation procedures, Milk fatty acid, Conjugated linoleic acid

  2. IR, Raman and SERS studies of methyl salicylate

    Science.gov (United States)

    Varghese, Hema Tresa; Yohannan Panicker, C.; Philip, Daizy; Mannekutla, James R.; Inamdar, S. R.

    2007-04-01

    The IR and Raman spectra of methyl salicylate (MS) were recorded and analysed. Surface enhanced Raman scattering (SERS) spectrum was recorded in silver colloid. The vibrational wave numbers of the compound have been computed using the Hartree-Fock/6-31G * basis and compared with the experimental values. SERS studies suggest a flat orientation of the molecule at the metal surface.

  3. Cyclic voltammetric study of electro-oxidation of methanol on platinum electrode in acidic and neutral media

    International Nuclear Information System (INIS)

    Khan, A.S.A.; Ahmed, R.; Mirza, M.L.

    2007-01-01

    The electro-oxidation of methanol on electrochemically treated platinum foil was investigated in acidic and neutral media for comparison of cyclic voltammetric characteristics and elucidation of mechanism of electro-oxidation of methanol. The surface area and roughness factor of platinum electrode was calculated. The electro-oxidation of mathanol is an irreversible process giving. anodic peaks in both anodic and cathodic sweep. The characteristic peaks of electrooxidation of methanol appeared at almost the same potential region in both acidic and neutral media. In neutral medium, certain additional cathodic/anodic peaks appeared which were confirmed to arise by the reduction/oxidation of hydrogen ions. The exchange current density and heterogeneous electron transfer rate constant was higher in neutral medium as. compared with acidic medium. The thermodynamic parameters delta H, delta S, and delta G/sub 298/ were calculated. The values of delta H and delta G/sub 298/were positive which indicated that the process of electro-oxidation of methanol is an endothermic and nonspontaneous. The mechanism of electro-oxidation of methanol was same in both acidic and neutral media involving the formation of various adsorbed intermediate species through dissociative adsorption steps leading to the formation of Co adsorbed radicals, which are removed. during interaction with adsorbed hydrous oxides provided by the oxidation of adsorbed water molecules. The higher rate of electro-oxidation of methanol in neutral medium was interpreted in the tight of electrochemical mechanism and was attributed to the presence of comparatively small amount of hydrogen ions only along the surface of working electrode, which are produced during electro-oxidation of methanol. (author)

  4. Enzymatic methylation of band 3 anion transporter in intact human erythrocytes

    International Nuclear Information System (INIS)

    Lou, L.L.; Clarke, S.

    1987-01-01

    Band 3, the anion transport protein of erythrocyte membranes, is a major methyl-accepting substrate of the intracellular erythrocyte protein carboxyl methyltransferase (S-adenosyl-L-methionine: protein-D-aspartate O-methyltransferase; EC 2.1.1.77). The localization of methylation sites in intact cells by analysis of proteolytic fragments indicated that sites were present in the cytoplasmic N-terminal domain as well as the membranous C-terminal portion of the polypeptide. The amino acid residues that serve as carboxyl methylation sites of the erythrocyte anion transporter were also investigated. 3 H-Methylated band 3 was purified from intact erythrocytes incubated with L-[methyl- 3 H]methionine and from trypsinized and lysed erythrocytes incubated with S-adenosyl-L-[methyl- 3 H]methionine. After proteolytic digestion with carboxypeptidase Y, D-aspartic acid beta-[ 3 H]methyl ester was isolated in low yields (9% and 1%, respectively) from each preparation. The bulk of the radioactivity was recovered as [ 3 H]methanol, and the amino acid residue(s) originally associated with these methyl groups could not be determined. No L-aspartic acid beta-[ 3 H]methyl ester or glutamyl gamma-[ 3 H]methyl ester was detected. The formation of D-aspartic acid beta-[ 3 H]methyl esters in this protein in intact cells resulted from protein carboxyl methyltransferase activity since it was inhibited by adenosine and homocysteine thiolactone, which increases the intracellular concentration of the potent product inhibitor S-adenosylhomocysteine, and cycloleucine, which prevents the formation of the substrate S-adenosyl-L-[methyl- 3 H]methionine

  5. Persistence of pirimiphos methyl residues in stored wheat

    International Nuclear Information System (INIS)

    Zennouche, B.; Bennaceur, M.

    1991-03-01

    The persistence of 14C pirimiphos methyl in stored wheat was investigated under local conditions during a storage period of 6 months. Surface, methanol extractable and bound residues were quantified. There was a gradual increase in the surface residues over the storage period. 27,97% of the applied amount was found in the surface residues and 54,16% in the extractable and bound residues one month after treatment. After 6 months storage, about 17,8% of the total quantity of the applied pirimiphos methyl remained on the surface and about 58,6% was present in the grains (extractable and bound residues). During cooking 10,91% of the extractable and bound residues were lost

  6. Relaxation in Thin Polymer Films Mapped across the Film Thickness by Astigmatic Single-Molecule Imaging

    KAUST Repository

    Oba, Tatsuya; Vacha, Martin

    2012-01-01

    We have studied relaxation processes in thin supported films of poly(methyl acrylate) at the temperature corresponding to 13 K above the glass transition by monitoring the reorientation of single perylenediimide molecules doped into the films

  7. Identification of Differentially Methylated Sites with Weak Methylation Effects

    Directory of Open Access Journals (Sweden)

    Hong Tran

    2018-02-01

    Full Text Available Deoxyribonucleic acid (DNA methylation is an epigenetic alteration crucial for regulating stress responses. Identifying large-scale DNA methylation at single nucleotide resolution is made possible by whole genome bisulfite sequencing. An essential task following the generation of bisulfite sequencing data is to detect differentially methylated cytosines (DMCs among treatments. Most statistical methods for DMC detection do not consider the dependency of methylation patterns across the genome, thus possibly inflating type I error. Furthermore, small sample sizes and weak methylation effects among different phenotype categories make it difficult for these statistical methods to accurately detect DMCs. To address these issues, the wavelet-based functional mixed model (WFMM was introduced to detect DMCs. To further examine the performance of WFMM in detecting weak differential methylation events, we used both simulated and empirical data and compare WFMM performance to a popular DMC detection tool methylKit. Analyses of simulated data that replicated the effects of the herbicide glyphosate on DNA methylation in Arabidopsis thaliana show that WFMM results in higher sensitivity and specificity in detecting DMCs compared to methylKit, especially when the methylation differences among phenotype groups are small. Moreover, the performance of WFMM is robust with respect to small sample sizes, making it particularly attractive considering the current high costs of bisulfite sequencing. Analysis of empirical Arabidopsis thaliana data under varying glyphosate dosages, and the analysis of monozygotic (MZ twins who have different pain sensitivities—both datasets have weak methylation effects of <1%—show that WFMM can identify more relevant DMCs related to the phenotype of interest than methylKit. Differentially methylated regions (DMRs are genomic regions with different DNA methylation status across biological samples. DMRs and DMCs are essentially the same

  8. Structural characterization of a poly(methacrylic acid)-poly(methyl methacrylate) copolymer by nuclear magnetic resonance and mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Giordanengo, Remi [Universites Aix-Marseille I, II et III - CNRS, UMR 6264: Laboratoire Chimie Provence, Spectrometries Appliquees a la Chimie Structurale, F-13397 Marseille (France); Viel, Stephane [Aix-Marseille Universite - CNRS, UMR 6263: Institut des Sciences Moleculaires de Marseille, Chimiometrie et Spectrometries, F-13397 Marseille (France); Hidalgo, Manuel; Allard-Breton, Beatrice [ARKEMA, Centre de Recherche Rhone Alpes, Rue Henri Moissan, F-69493 Pierre-Benite (France); Thevand, Andre [Universites Aix-Marseille I, II et III - CNRS, UMR 6264: Laboratoire Chimie Provence, Spectrometries Appliquees a la Chimie Structurale, F-13397 Marseille (France); Charles, Laurence, E-mail: laurence.charles@univ-provence.fr [Universites Aix-Marseille I, II et III - CNRS, UMR 6264: Laboratoire Chimie Provence, Spectrometries Appliquees a la Chimie Structurale, F-13397 Marseille (France)

    2009-11-03

    Mass spectrometry (MS) and nuclear magnetic resonance (NMR) have been combined to achieve the complete microstructural characterization of a poly(methacrylic acid)-poly(methyl methacrylate) (PMAA-PMMA) copolymer synthesized by nitroxide-mediated polymerization. Various PMAA-PMMA species could be identified which mainly differ in terms of terminaisons. {sup 1}H and {sup 13}C NMR experiments revealed the structure of the end-groups as well as the proportion of each co-monomer in the copolymers. These end-group masses were further confirmed from m/z values of doubly charged copolymer anions detected in the single stage mass spectrum. In contrast, copolymer composition derived from MS data was not consistent with NMR results, obviously due to strong mass bias well known to occur during electrospray ionization of these polymeric species. Tandem mass spectrometry could reveal the random nature of the copolymer based on typical dissociation reactions, i.e., water elimination occurred from any two contiguous MAA units while MAA-MMA pairs gave rise to the loss of a methanol molecule. Polymer backbone cleavages were also observed to occur and gave low abundance fragment ions which allowed the structure of the initiating end-group to be confirmed.

  9. Structural Study of Reduced Graphene Oxide/ Polypyrrole Composite as Methanol Sensor in Direct Methanol Fuel Cell

    International Nuclear Information System (INIS)

    Mumtazah Atiqah Hassan; Siti Kartom Kamarudin; Siti Kartom Kamarudin

    2016-01-01

    Density functional theory (DFT) computations were performed on the optimized geometric and electronic properties of reduced graphene oxide/polypyrole (rGO/ PPy) composite in comparison with pure graphene and graphene oxide structures. Incorporation of both reduced GO (rGO) and PPy will form a good composite which have advantages from both materials such as good mechanical strength and excellent electrical conductivity. These composite would be very suitable in fabrication of methanol sensor in direct methanol fuel cell (DMFC). The HOMO-LUMO energy (eV) was also calculated. These computations provide a theoretical explanation for the good performance of rGO/ PPy composite as electrode materials in methanol sensor. (author)

  10. Optimization of methanol crystallization for highly efficient separation of palmitic acid from palm fatty acid mixture using response surface methodology

    Directory of Open Access Journals (Sweden)

    A. A.W. Japir

    2018-01-01

    Full Text Available The objective of the current study was to develop parameters for the separation of palmitic acid (PA from a crude palm oil saturated fatty acid (SFAs mixture by using the methanol crystallization method. The conditions of methanol crystallization were optimized by the response surface methodology (RSM with the D-optimal design. The procedure of developing the solvent crystallization method was based on various different parameters. The fatty acid composition was carried out using a gas chromatography flame ionization detector (GC-FID as fatty acid methyl esters. The highest percentage of SFAs was more than 96% with the percentage yield of 87.5% under the optimal conditions of fatty acids-to-methanol ratio of 1: 20 (w/v, the crystallization temperature of -15 °C, and the crystallization time of 24 hours, respectively. The composition of separated SFAs in the solid fraction contains 96.7% of palmitic acid (C16:0 as a dominant component and 3.3% of stearic acid (C18:0. The results showed that utilizing methanol as a crystallization solvent is recommended because of its high efficiency, low cost, stability, availability, comparative ease of recovery and its ability to form needle-like crystals which have good filtering and washing characteristics.

  11. Optimization of methanol crystallization for highly efficient separation of palmitic acid from palm fatty acid mixture using response surface methodology

    International Nuclear Information System (INIS)

    Japir, A.A.W.; Salimon, J.; Derawi, D.; Yahaya, B.H.; Jamil, M.S.M.; Yusop, M.R.

    2017-01-01

    The objective of the current study was to develop parameters for the separation of palmitic acid (PA) from a crude palm oil saturated fatty acid (SFAs) mixture by using the methanol crystallization method. The conditions of methanol crystallization were optimized by the response surface methodology (RSM) with the D-optimal design. The procedure of developing the solvent crystallization method was based on various different parameters. The fatty acid composition was carried out using a gas chromatography flame ionization detector (GC-FID) as fatty acid methyl esters. The highest percentage of SFAs was more than 96% with the percentage yield of 87.5% under the optimal conditions of fatty acids-to-methanol ratio of 1: 20 (w/v), the crystallization temperature of -15 °C, and the crystallization time of 24 hours, respectively. The composition of separated SFAs in the solid fraction contains 96.7% of palmitic acid (C16:0) as a dominant component and 3.3% of stearic acid (C18:0). The results showed that utilizing methanol as a crystallization solvent is recommended because of its high efficiency, low cost, stability, availability, comparative ease of recovery and its ability to form needle-like crystals which have good filtering and washing characteristics. [es

  12. DNA methylation in obesity

    Directory of Open Access Journals (Sweden)

    Małgorzata Pokrywka

    2014-11-01

    Full Text Available The number of overweight and obese people is increasing at an alarming rate, especially in the developed and developing countries. Obesity is a major risk factor for diabetes, cardiovascular disease, and cancer, and in consequence for premature death. The development of obesity results from the interplay of both genetic and environmental factors, which include sedentary life style and abnormal eating habits. In the past few years a number of events accompanying obesity, affecting expression of genes which are not directly connected with the DNA base sequence (e.g. epigenetic changes, have been described. Epigenetic processes include DNA methylation, histone modifications such as acetylation, methylation, phosphorylation, ubiquitination, and sumoylation, as well as non-coding micro-RNA (miRNA synthesis. In this review, the known changes in the profile of DNA methylation as a factor affecting obesity and its complications are described.

  13. Torsion-inversion tunneling patterns in the CH-stretch vibrationally excited states of the G12 family of molecules including methylamine.

    Science.gov (United States)

    Dawadi, Mahesh B; Bhatta, Ram S; Perry, David S

    2013-12-19

    Two torsion-inversion tunneling models (models I and II) are reported for the CH-stretch vibrationally excited states in the G12 family of molecules. The torsion and inversion tunneling parameters, h(2v) and h(3v), respectively, are combined with low-order coupling terms involving the CH-stretch vibrations. Model I is a group theoretical treatment starting from the symmetric rotor methyl CH-stretch vibrations; model II is an internal coordinate model including the local-local CH-stretch coupling. Each model yields predicted torsion-inversion tunneling patterns of the four symmetry species, A, B, E1, and E2, in the CH-stretch excited states. Although the predicted tunneling patterns for the symmetric CH-stretch excited state are the same as for the ground state, inverted tunneling patterns are predicted for the asymmetric CH-stretches. The qualitative tunneling patterns predicted are independent of the model type and of the particular coupling terms considered. In model I, the magnitudes of the tunneling splittings in the two asymmetric CH-stretch excited states are equal to half of that in the ground state, but in model II, they differ when the tunneling rate is fast. The model predictions are compared across the series of molecules methanol, methylamine, 2-methylmalonaldehyde, and 5-methyltropolone and to the available experimental data.

  14. 6-Methyl-2-pyridyl N-acetyl-1-thio-β-d-glucosa-minide methanol monosolvate.

    Science.gov (United States)

    Chen, Bo; Guo, Miao; Jin, Wei-Hua; Wang, Yan-Wei; Liang, Hong-Ze

    2010-09-15

    In the title compound, C(14)H(20)N(2)O(5)S·CH(4)O, the pyran-ose and pyridine rings are linked through an S atom. The pyran-ose ring has a normal chair conformation. An intra-molecular O-H⋯N hydrogen bond occurs. Inter-molecular O-H⋯O, N-H⋯O, O-H⋯N and weak C-H⋯O hydrogen bonding is present in the crystal structure.

  15. Solvation effect on decomposition rate of 10-methyl-10-phenylphenoxarsonium iodide in some alcohols and ketones

    International Nuclear Information System (INIS)

    Gavrilov, V.I.; Gumerov, N.S.; Rakhmatullin, R.R.

    1989-01-01

    By the method of conductometry decomposition kinetics of 10-methyl-10phenylphenoxarsonium iodide in methanol, ethanol, 2-propanol, 1-butanol, 1-pentanol and methyl ethyl ketone at initial concentration of the salt 0.00024-0.003 mol/l, is studied. It is shown that at the temperatures up to 80-95 deg C practically no decomposition of arsonium salt in methanol and ethanol is observed. With an increase in the length of alcohol alkyl radical the decomposition rate increases. The values of activation enrgy both for alcohols and ketone are approximately the same. At the same time, decomposition rate in alcohol proved much slower than in ketone, which is related to iodide-ion solvation in protic solvents

  16. Solvation effect on decomposition rate of 10-methyl-10-phenylphenoxarsonium iodide in some alcohols and ketones

    Energy Technology Data Exchange (ETDEWEB)

    Gavrilov, V I; Gumerov, N S; Rakhmatullin, R R [Kazanskij Khimiko-Tekhnologicheskij Inst., Kazan (USSR)

    1989-03-01

    By the method of conductometry decomposition kinetics of 10-methyl-10phenylphenoxarsonium iodide in methanol, ethanol, 2-propanol, 1-butanol, 1-pentanol and methyl ethyl ketone at initial concentration of the salt 0.00024-0.003 mol/l, is studied. It is shown that at the temperatures up to 80-95 deg C practically no decomposition of arsonium salt in methanol and ethanol is observed. With an increase in the length of alcohol alkyl radical the decomposition rate increases. The values of activation enrgy both for alcohols and ketone are approximately the same. At the same time, decomposition rate in alcohol proved much slower than in ketone, which is related to iodide-ion solvation in protic solvents.

  17. Ethylic or methylic route to soybean biodiesel? Tracking environmental answers through life cycle assessment

    International Nuclear Information System (INIS)

    Alejos Altamirano, Carlos Alberto; Yokoyama, Lídia; Medeiros, José Luiz de; Queiroz Fernandes Araújo, Ofélia de

    2016-01-01

    Highlights: • Life cycle of biodiesel using alternative transesterification routes is analyzed. • Bioethanol can potentially decrease CO_2 emissions of methanol biodiesel. • Contrarily, equivalent CO_2 emissions are retained and renewability is reduced. • Water footprint increases from 37.12 (methanol) to 44.88 m"3/GJ biodiesel (ethanol). • Energy efficiency is reduced from 79.37% (methanol) to 75.19 (ethanol %). - Abstract: Biodiesel is a renewable fuel produced by transesterification of triacylglicerides (TAG) contained in vegetable oils and animal fats, to yield alkyl esters (biodiesel) and glycerin. Methanol is the main transesterification agent employed resulting in FAME (fatty acid methyl esters), which is primarily obtained from natural gas reforming (fossil source). Substitution of methanol by ethanol produces FAEE (fatty acid ethyl esters) and has the potential to render biodiesel a fully renewable fuel. Although renewability is a significant driving force for the proposed alcohol replacement, environmental performance of the alternative transesterification is questioned. The answer is herein sought through a comparative Life Cycle Assessment (LCA) of the two production chains. The study tracks CO_2 emissions, energy efficiency, water and resources consumption, and environmental impacts (Acidification Potential – AP, Global Warming Potential – GWP, Eutrophication Potential – EP, and Human Toxicity Potential – TP). The boundaries of the biodiesel production chains extend from the extraction of raw-materials to its final use as transportation fuel in buses, applied to the Brazilian scenario. Results show that substitution of the methylic route with the ethylic route does not attribute significant environmental benefits. Furthermore, the ethylic route presents competitive advantages only in the category of GWP, and exhibits inferior performance in the remaining evaluated impact categories. Finally, a greater consumption of water and energy

  18. Examples of the use of preparative gas-phase chromatography for producing marked molecules; Exemples d'emploi de la chromatographie gazeuse preparative dans la fabrication des molecules marquees

    Energy Technology Data Exchange (ETDEWEB)

    Pichat, L; Baret, Ch; Guermont, J P; Audinot, M [Commissariat a l' Energie Atomique, Saclay (France).Centre d' Etudes Nucleaires

    1960-07-01

    Gas chromatography is most wildly used in the analysis of volatile products. Certain works mention its use for preparatory purposes. Organic labelled molecule preparations are usually made in respect of quantities of the order of 1-10 mmol. It has thus been possible to use gas chromatography with very little alteration for the purification of C-14 labelled molecules and their separation from complex reaction mixtures. The apparatus employed may be briefly described as follows. The chromatography columns used (diameter: 9-12 mm, length: approximately 4-6 m) made it possible to separate labelled products with boiling-points of up to 180 deg. C and in quantities of approximately 100 mg to 1 g. The fractions detected by a conventional conductivity cell device were condensed in traps cooled by liquid nitrogen. The radioactivity was not measured at the same time, as an ionization chamber capable of operating at up to 100 deg. C is still only at the research stage. In all cases, the vector gas was helium and the stationary phase support was usually 80 mesh 'celite 545'. The acetone-2-C{sup 14} produced by pyrolysis of barium acetate was purified on a 'polyglycol 200' column. The water and any unidentified impurities are readily eliminated. The benzene C{sub 6}{sup 14} produced by cyclizing polymerization of the acetylene-C{sup 14} in acetonitril was quantitatively separated from the complex reaction mixture on a nonyl phthalate column at 80 deg. C. The methyl or ethyl acrylates formed, according to Reppe, by the action of radioactive acetylene on a mixture of methanol or ethanol, water an hydrochloric acid, in the presence of nickel carbonyl, are difficult to separate by distillation in small quantities. Two columns were used in series: one consisted of a 'Linde 5 A' molecular sieve having a triple purpose: fixation of the water, fixation of the methanol and neutralization of the hydrochloric acid; the second column composed of nonyl phthalate brought about separation of

  19. Effect of sorbed methanol, current, and temperature on multicomponent transport in nafion-based direct methanol fuel cells.

    Science.gov (United States)

    Rivera, Harry; Lawton, Jamie S; Budil, David E; Smotkin, Eugene S

    2008-07-24

    The CO2 in the cathode exhaust of a liquid feed direct methanol fuel cell (DMFC) has two sources: methanol diffuses through the membrane electrode assembly (MEA) to the cathode where it is catalytically oxidized to CO2; additionally, a portion of the CO2 produced at the anode diffuses through the MEA to the cathode. The potential-dependent CO2 exhaust from the cathode was monitored by online electrochemical mass spectrometry (ECMS) with air and with H2 at the cathode. The precise determination of the crossover rates of methanol and CO2, enabled by the subtractive normalization of the methanol/air to the methanol/H2 ECMS data, shows that methanol decreases the membrane viscosity and thus increases the diffusion coefficients of sorbed membrane components. The crossover of CO2 initially increases linearly with the Faradaic oxidation of methanol, reaches a temperature-dependent maximum, and then decreases. The membrane viscosity progressively increases as methanol is electrochemically depleted from the anode/electrolyte interface. The crossover maximum occurs when the current dependence of the diffusion coefficients and membrane CO2 solubility dominate over the Faradaic production of CO2. The plasticizing effect of methanol is corroborated by measurements of the rotational diffusion of TEMPONE (2,2,6,6-tetramethyl-4-piperidone N-oxide) spin probe by electron spin resonance spectroscopy. A linear inverse relationship between the methanol crossover rate and current density confirms the absence of methanol electro-osmotic drag at concentrations relevant to operating DMFCs. The purely diffusive transport of methanol is explained in terms of current proton solvation and methanol-water incomplete mixing theories.

  20. Study of SI engine fueled with methanol vapor and dissociation gas based on exhaust heat dissociating methanol

    International Nuclear Information System (INIS)

    Fu, Jianqin; Deng, Banglin; Liu, Jingping; Wang, Linjun; Xu, Zhengxin; Yang, Jing; Shu, Gequn

    2014-01-01

    Highlights: • The full load power decreases successively from gasoline engine, methanol vapor engine to dissociated methanol engine. • Both power and thermal efficiency of dissociated methanol engine can be improved by boosting pressure. • The conversion efficiency of recovered exhaust gas energy is largely influenced by the BMEP. • At the same BMEP, dissociated methanol engine has higher thermal efficiency than methanol vapor engine and gasoline engine. - Abstract: To improve the fuel efficiency of internal combustion (IC) engine and also achieve the goal of direct usage of methanol fuel on IC engine, an approach of exhaust heat dissociating methanol was investigated, which is a kind of method for IC engine exhaust heat recovery (EHR). A bottom cycle system is coupled with the IC engine exhaust system, which uses the exhaust heat to evaporate and dissociate methanol in its catalytic cracker. The methanol dissociation gas (including methanol vapor) is used as the fuel for IC engine. This approach was applied to both naturally aspirated (NA) engine and turbocharged engine, and the engine performance parameters were predicted by the software GT-power under various kinds of operating conditions. The improvement to IC engine performance and the conversion efficiency of recovered exhaust gas energy can be evaluated by comparing the performances of IC engine fueled with various kinds of fuels (or their compositions). Results show that, from gasoline engine, methanol vapor engine to dissociated methanol engine, the full load power decreases successively in the entire speed area due to the declining of volumetric efficiency, while it is contrary in the thermal efficiency at the same brake mean effective pressure (BMEP) level because of the improving of fuel heating value. With the increase of BMEP, the conversion efficiency of recovered exhaust gas energy is promoted. All those results indicate that the approach of exhaust heat dissociating methanol has large

  1. Groundwater issues relating to an Alaskan methanol spill

    International Nuclear Information System (INIS)

    Robertson, S.B.

    1992-01-01

    This paper reports on a Dec. 1989 methanol spill which resulted from sabotage to three railroad tank cars. Samples taken from nearby drinking-water wells and groundwater-monitoring wells were below the analytical detection limit. Monitoring well data demonstrated that groundwater flow was not toward local residential wells. Dilution by snow and subsequent freezing in the soil limited the downward spread of the methanol, an advantage not found in milder, more temperate conditions. Contaminated material was removed and processed to reclaim the methanol. Volatilization and biodegradation should remove any remaining methanol. Cleanup options were limited by the possible hazardous waste classification of the contaminated soil. The regulatory status of spilled methanol waste should be re-evaluated, especially if use of methanol as a motor fuel increases

  2. Methanol as an alternative fuel: Economic and health effects

    International Nuclear Information System (INIS)

    Yuecel, M.K.

    1991-01-01

    Switching from gasoline to methanol fuels has important economic and health effects. Replacing gasoline with methanol will affect oil markets by lowering the demand for oil and thus lowering oil prices. Increased demand for the natural gas feedstock will increase natural gas prices. Because methanol is more costly than gasoline, fuel prices will also increase. On the other hand, methanol use will reduce ozone pollution and some of the health risks associated with gasoline. Considering all three markets affected by the phasing-out of gasoline, the switch to methanol results in net gains. The health benefits from lower pollution and the lives saved from the switch from gasoline to methanol are in addition to these gains. Overall, the benefits of the policy far outweigh the costs. However, the gains in the oil market, arising from the US monopsony power in the world oil market, can be captured by other, more efficient policies. 21 refs., 2 figs., 3 tabs

  3. Thermal Decomposition of Potential Ester Biofuels. Part I: Methyl Acetate and Methyl Butanoate

    Energy Technology Data Exchange (ETDEWEB)

    Porterfield, Jessica P.; Bross, David H.; Ruscic, Branko; Thorpe, James H.; Nguyen, Thanh Lam; Baraban, Joshua H.; Stanton, John F.; Daily, John W.; Ellison, G. Barney

    2017-06-09

    Two methyl esters have been examined as models for the pyrolysis of biofuels. Dilute samples (0.06 - 0.13%) of methyl acetate (CH3COOCH3) and methyl butanoate (CH3CH2CH2COOCH3) were entrained in (He, Ar) carrier gas and decomposed in a set of flash-pyrolysis micro-reactors. The pyrolysis products resulting from the methyl esters were detected and identified by vacuum ultraviolet photoionization mass spectrometry. Complementary product identification was provided by matrix infrared absorption spectroscopy. Pyrolysis pressures in the pulsed micro-reactor were roughly 20 Torr and residence times through the reactors were approximately 25 - 150 µs. Reactor temperatures of 300 – 1600 K were explored. Decomposition of CH3COOCH3 commences at 1000 K and the initial products are (CH2=C=O and CH3OH). As the micro-reactor is heated to 1300 K, a mixture of (CH2=C=O and CH3OH, CH3, CH2=O, H, CO, CO2) appears. The thermal cracking of CH3CH2CH2COOCH3 begins at 800 K with the formation of (CH3CH2CH=C=O, CH3OH). By 1300 K, the pyrolysis of methyl butanoate yields a complex mixture of (CH3CH2CH=C=O, CH3OH, CH3, CH2=O, CO, CO2, CH3CH=CH2, CH2CHCH2, CH2=C=CH2, HCCCH2, CH2=C=C=O, CH2=CH2, HCΞCH, CH2=C=O). Based on the results from the thermal cracking of methyl acetate and methyl butanoate, we predict several important decomposition channels for the pyrolysis of fatty acid methyl esters, R CH2-COOCH3. The lowest energy fragmentation will be a 4-center elimination of methanol to form the ketene, RCH=C=O. At higher temperatures, concerted

  4. Improved Direct Methanol Fuel Cell Stack

    Science.gov (United States)

    Wilson, Mahlon S.; Ramsey, John C.

    2005-03-08

    A stack of direct methanol fuel cells exhibiting a circular footprint. A cathode and anode manifold, tie-bolt penetrations and tie-bolts are located within the circular footprint. Each fuel cell uses two graphite-based plates. One plate includes a cathode active area that is defined by serpentine channels connecting the inlet and outlet cathode manifold. The other plate includes an anode active area defined by serpentine channels connecting the inlet and outlet of the anode manifold, where the serpentine channels of the anode are orthogonal to the serpentine channels of the cathode. Located between the two plates is the fuel cell active region.

  5. Direct methanol feed fuel cell and system

    Science.gov (United States)

    Surampudi, Subbarao (Inventor); Frank, Harvey A. (Inventor); Narayanan, Sekharipuram R. (Inventor); Chun, William (Inventor); Jeffries-Nakamura, Barbara (Inventor); Kindler, Andrew (Inventor); Halpert, Gerald (Inventor)

    2009-01-01

    Improvements to non acid methanol fuel cells include new formulations for materials. The platinum and ruthenium are more exactly mixed together. Different materials are substituted for these materials. The backing material for the fuel cell electrode is specially treated to improve its characteristics. A special sputtered electrode is formed which is extremely porous. The fuel cell system also comprises a fuel supplying part including a meter which meters an amount of fuel which is used by the fuel cell, and controls the supply of fuel based on said metering.

  6. Methylated β-Cyclodextrins

    DEFF Research Database (Denmark)

    Schönbeck, Jens Christian Sidney; Westh, Peter; Madsen, Jens Christian

    2011-01-01

    The complexation of 6 bile salts with various methylated β-cyclodextrins was studied to elucidate how the degree and pattern of substitution affects the binding. The structures of the CDs were determined by mass spectrometry and NMR techniques, and the structures of the inclusion complexes were...

  7. Revealing Lattice Expansion of Small-Pore Zeolite Catalysts during the Methanol-to-Olefins Process Using Combined Operando X-ray Diffraction and UV–vis Spectroscopy

    KAUST Repository

    Goetze, Joris; Yarulina, Irina; Gascon, Jorge; Kapteijn, Freek; Weckhuysen, Bert M.

    2018-01-01

    In small-pore zeolite catalysts, where the size of the pores is limited by eight-ring windows, aromatic hydrocarbon pool molecules that are formed inside the zeolite during the Methanol-to-Olefins (MTO) process cannot exit the pores and are retained

  8. Revealing Lattice Expansion of Small-Pore Zeolite Catalysts during the Methanol-to-Olefins Process Using Combined Operando X-ray Diffraction and UV-vis Spectroscopy

    NARCIS (Netherlands)

    Goetze, Joris; Yarulina, I.; Gascon Sabate, J.; Kapteijn, F.; Weckhuysen, Bert M.

    2018-01-01

    In small-pore zeolite catalysts, where the size of the pores is limited by eight-ring windows, aromatic hydrocarbon pool molecules that are formed inside the zeolite during the Methanol-to-Olefins (MTO) process cannot exit the pores and are retained inside the catalyst. Hydrocarbon species whose

  9. Separation of benzene from mixtures with water, methanol, ethanol, and acetone: highlighting hydrogen bonding and molecular clustering influences in CuBTC

    NARCIS (Netherlands)

    Gutiérrez-Sevillano, J.J.; Calero, S.; Krishna, R.

    2015-01-01

    Configurational-bias Monte Carlo (CBMC) simulations are used to establish the potential of CuBTC for separation of water/benzene, methanol/benzene, ethanol/benzene, and acetone/benzene mixtures. For operations under pore saturation conditions, the separations are in favor of molecules that partner

  10. Methyl 4-(butyrylamino-5-methyl-2-nitrobenzoate

    Directory of Open Access Journals (Sweden)

    Cheng Yao

    2008-04-01

    Full Text Available The title compound, C13H16N2O5, is useful as an intermediate in the field of agrochemicals. Intramolecular C—H...O hydrogen bonds result in the formation of one six- and one five-membered nearly planar ring; the six-membered ring is also nearly coplanar with the adjacent benzene ring. In the crystal structure, intermolecular C—H...O hydrogen bonds link the molecules.

  11. Phase equilibrium data and thermodynamic modeling of the system (CO{sub 2} + biodiesel + methanol) at high pressures

    Energy Technology Data Exchange (ETDEWEB)

    Pinto, Leandro F.; Segalen da Silva, Diogo Italo [Department of Chemical Engineering, Federal University of Parana, CEP 81531-990, Curitiba, PR (Brazil); Rosa da Silva, Fabiano; Ramos, Luiz P. [Department of Chemistry, Federal University of Parana, CEP 81531-990, Curitiba, PR (Brazil); Ndiaye, Papa M. [Department of Chemical Engineering, Federal University of Parana, CEP 81531-990, Curitiba, PR (Brazil); Corazza, Marcos L., E-mail: corazza@ufpr.br [Department of Chemical Engineering, Federal University of Parana, CEP 81531-990, Curitiba, PR (Brazil)

    2012-01-15

    Highlights: > We measured phase behavior for the system involving {l_brace}CO{sub 2} + biodiesel + methanol{r_brace}. > The saturation pressures were obtained using a variable-volume view cell. > The experimental data were modeled using PR-vdW2 and PR-WS equations of state. - Abstract: The main objective of this work was to investigate the high pressure phase behavior of the binary systems {l_brace}CO{sub 2}(1) + methanol(2){r_brace} and {l_brace}CO{sub 2}(1) + soybean methyl esters (biodiesel)(2){r_brace} and the ternary system {l_brace}CO{sub 2}(1) + biodiesel(2) + methanol(3){r_brace} were determined. Biodiesel was produced from soybean oil, purified, characterized and used in this work. The static synthetic method, using a variable-volume view cell, was employed to obtain the experimental data in the temperature range of (303.15 to 343.15) K and pressures up to 21 MPa. The mole fractions of carbon dioxide were varied according to the systems as follows: (0.2383 to 0.8666) for the binary system {l_brace}CO{sub 2}(1) + methanol(2){r_brace}; (0.4201 to 0.9931) for the binary system {l_brace}CO{sub 2}(1) + biodiesel(2){r_brace}; (0.4864 to 0.9767) for the ternary system {l_brace}CO{sub 2}(1) + biodiesel(2) + methanol(3){r_brace} with a biodiesel to methanol molar ratio of (1:3); and (0.3732 to 0.9630) for the system {l_brace}CO{sub 2} + biodiesel + methanol{r_brace} with a biodiesel to methanol molar ratio of (8:1). For these systems, (vapor + liquid), (liquid + liquid), (vapor + liquid + liquid) transitions were observed. The phase equilibrium data obtained for the systems were modeled using the Peng-Robinson equation of state with the classical van der Waals (PR-vdW2) and Wong-Sandler (PR-WS) mixing rules. Both thermodynamic models were able to satisfactorily correlate the phase behavior of the systems investigated and the PR-WS presented the best performance.

  12. A Methanol Intoxication Outbreak From Recreational Ingestion of Fracking Fluid.

    Science.gov (United States)

    Collister, David; Duff, Graham; Palatnick, Wesley; Komenda, Paul; Tangri, Navdeep; Hingwala, Jay

    2017-05-01

    Single-patient methanol intoxications are a common clinical presentation, but outbreaks are rare and usually occur in settings in which there is limited access to ethanol and methanol is consumed as a substitute. In this case report, we describe an outbreak of methanol intoxications that was challenging from a public health perspective and discuss strategies for managing such an outbreak. Copyright © 2016 National Kidney Foundation, Inc. Published by Elsevier Inc. All rights reserved.

  13. Methanol Oxidation on Model Elemental and Bimetallic Transition Metal Surfaces

    DEFF Research Database (Denmark)

    Tritsaris, G. A.; Rossmeisl, J.

    2012-01-01

    Direct methanol fuel cells are a key enabling technology for clean energy conversion. Using density functional theory calculations, we study the methanol oxidation reaction on model electrodes. We discuss trends in reactivity for a set of monometallic and bimetallic transition metal surfaces, flat...... sites on the surface and to screen for novel bimetallic surfaces of enhanced activity. We suggest platinum copper surfaces as promising anode catalysts for direct methanol fuel cells....

  14. Low methanol-permeable polyaniline/Nafion composite membrane for direct methanol fuel cells

    Czech Academy of Sciences Publication Activity Database

    Wang, C. H.; Chen, C. C.; Hsu, H. C.; Du, H. Y.; Chen, C. P.; Hwang, J. Y.; Chen, L. C.; Shih, H. C.; Stejskal, Jaroslav; Chen, K. H.

    2009-01-01

    Roč. 190, č. 2 (2009), s. 279-284 ISSN 0378-7753 R&D Projects: GA AV ČR IAA4050313 Institutional research plan: CEZ:AV0Z40500505 Keywords : DMFC * methanol crossover * polyaniline Subject RIV: CD - Macromolecular Chemistry Impact factor: 3.792, year: 2009

  15. Nuclear magnetic relaxation of methyl group in liquids

    International Nuclear Information System (INIS)

    Blicharska, B.

    1986-01-01

    The theoretical description of the relaxation process of methyl group in liquids and some results of the measurements of relaxation function and relaxation times for cryoprotective solutions are presented. Starting from the application of the operator formalism the general equation for spin operators e.g. components of the nuclear spin and magnetization is founded. Next, the spin Hamiltonian is presented as contraction of the symmetry adapted spherical tensors as well as the correlation functions and spectral densities. On the basis of extended and modified Woessner model of motion the correlation functions and spectral densities are calculated for methyl group in liquids. Using these functions the relaxation matrix elements, the spin-spin and spin-lattice relaxation times can be expressed. The prediction of the theory agrees with author's previous experiments on cryoprotective solutions. The observed dependence on temperature, frequency and isotopic dilution in methanol-water, methanol-dimethyl sulfoxide (DMSO) and DMSO-water solutions is in a satisfactory agreement with theoretical equations. 34 refs. (author)

  16. Protein methylation in pea chloroplasts

    International Nuclear Information System (INIS)

    Niemi, K.J.; Adler, J.; Selman, B.R.

    1990-01-01

    The methylation of chloroplast proteins has been investigated by incubating intact pea (Pisum sativum) chloroplasts with [ 3 H-methyl]-S-adenosylmethionine. Incubation in the light increases the amount of methylation in both the thylakoid and stromal fractions. Numerous thylakoid proteins serve as substrates for the methyltransfer reactions. Three of these thylakoid proteins are methylated to a significantly greater extent in the light than in the dark. The primary stromal polypeptide methylated is the large subunit of ribulose bisphosphate carboxylase/oxygenase. One other stromal polypeptide is also methylated much more in the light than in the dark. Two distinct types of protein methylation occur. One methylinkage is stable to basic conditions whereas a second type is base labile. The base-stable linkage is indicative of N-methylation of amino acid residues while base-lability is suggestive of carboxymethylation of amino acid residues. Labeling in the light increases the percentage of methylation that is base labile in the thylakoid fraction while no difference is observed in the amount of base-labile methylations in light-labeled and dark-labeled stromal proteins. Also suggestive of carboxymethylation is the detection of volatile [ 3 H]methyl radioactivity which increases during the labeling period and is greater in chloroplasts labeled in the light as opposed to being labeled in the dark; this implies in vivo turnover of the [ 3 H]methyl group

  17. Biological Methanol Production by a Type II Methanotroph Methylocystis bryophila.

    Science.gov (United States)

    Patel, Sanjay K S; Mardina, Primata; Kim, Sang-Yong; Lee, Jung-Kul; Kim, In-Won

    2016-04-28

    Methane (CH₄) is the most abundant component in natural gas. To reduce its harmful environmental effect as a greenhouse gas, CH₄ can be utilized as a low-cost feed for the synthesis of methanol by methanotrophs. In this study, several methanotrophs were examined for their ability to produce methanol from CH₄; including Methylocella silvestris, Methylocystis bryophila, Methyloferula stellata, and Methylomonas methanica. Among these methanotrophs, M. bryophila exhibited the highest methanol production. The optimum process parameters aided in significant enhancement of methanol production up to 4.63 mM. Maximum methanol production was observed at pH 6.8, 30°C, 175 rpm, 100 mM phosphate buffer, 50 mM MgCl₂ as a methanol dehydrogenase inhibitor, 50% CH₄ concentration, 24 h of incubation, and 9 mg of dry cell mass ml(-1) inoculum load, respectively. Optimization of the process parameters, screening of methanol dehydrogenase inhibitors, and supplementation with formate resulted in significant improvements in methanol production using M. bryophila. This report suggests, for the first time, the potential of using M. bryophila for industrial methanol production from CH₄.

  18. An Electrochemical Investigation of Methanol Oxidation on Nickel ...

    African Journals Online (AJOL)

    NICO

    Cyclic voltammetry, electrooxidation, glassy carbon electrode, methanol, nickel hydroxide nanoparticles. 1. ... substrate at room temperature without templates. Recently, we ... placed in ethanol and sonicated to remove adsorbed particles.

  19. Chemical Evolution of Interstellar Methanol Ice Analogs upon Ultraviolet Irradiation: The Role of the Substrate

    Science.gov (United States)

    Ciaravella, A.; Jiménez-Escobar, A.; Cosentino, G.; Cecchi-Pestellini, C.; Peres, G.; Candia, R.; Collura, A.; Barbera, M.; Di Cicca, G.; Varisco, S.; Venezia, A. M.

    2018-05-01

    An important issue in the chemistry of interstellar ices is the role of dust materials. In this work, we study the effect of an amorphous water-rich magnesium silicate deposited onto ZnSe windows on the chemical evolution of ultraviolet-irradiated methanol ices. For comparison, we also irradiate similar ices deposited onto bare ZnSe windows. Silicates are produced at relatively low temperatures exploiting a sol–gel technique. The chemical composition of the synthesized material reflects the forsterite stoichiometry. Si–OH groups and magnesium carbonates are incorporated during the process. The results show that the substrate material does affect the chemical evolution of the ice. In particular, the CO2/CO ratio within the ice is larger for methanol ices deposited onto the silicate substrate as a result of concurrent effects: the photolysis of carbonates present in the adopted substrate as a source of CO2, CO, and carbon and oxygen atoms; reactions of water molecules and hydroxyl radicals released from the substrate with the CO formed in the ice by the photolysis of the methanol ice; and changes in the structure and energy of the silicate surface by ultraviolet irradiation, leading to more favorable conditions for chemical reactions or catalysis at the grain surface. The results of our experiments allow such chemical effects contributed by the various substrate material components to be disentangled.

  20. Enhanced electrochemical oxidation of methanol on copper electrodes modified by electrocorrosion and electrodeposition

    Energy Technology Data Exchange (ETDEWEB)

    Carugno, Sofía [INQUIMAE – DQIAQF, Facultad de Ciencias, Exactas y Naturales, Universidad de Buenos Aires, Consejo Nacional de Investigaciones Científicas y Técnicas, 1428 Buenos Aires (Argentina); Chassaing, Elisabeth [IRDEP (UMR7174), EDF R and D, 6 Quai Watier, 78401 Chatou (France); Rosso, Michel [LPMC (UMR7643), CNRS, Ecole Polytechnique, F91128 Palaiseau Cedex (France); González, Graciela A., E-mail: graciela@qi.fcen.uba.ar [INQUIMAE – DQIAQF, Facultad de Ciencias, Exactas y Naturales, Universidad de Buenos Aires, Consejo Nacional de Investigaciones Científicas y Técnicas, 1428 Buenos Aires (Argentina)

    2014-02-14

    In this paper, we report a study of electrocatalytic oxidation of methanol on copper electrodes subjected to different surface treatments, either electrocorrosion or electrodeposition in the absence of strong hydrogen co-deposition. The surface morphology of treated electrodes was examined by Field Emission Scanning Electron Microscopy (FE-SEM). The effect of different treatment conditions and the methanol concentration dependence were evaluated by cyclic voltammetric technique. The results indicate that the oxidation of methanol can be enhanced by a suitable micro and nano structure generated by these treatments. This enhanced electrode activity is related to an increase of the effective surface area and/or to an increase of the surface concentration of electroactive molecules or intermediates. - Highlights: • We presented simple treatments to increase the response of copper electrodes. • Copper electrodes were modified by electrocorrosion and electrodeposition. • Scanning Electron Microscopy images reveal the effects of the different treatments. • The response is enhanced by an area increase and/or intermediates concentration. • For each treatment the concentration range of the diffusion control is analyzed.

  1. Preparation and charaterization of Pt/functionalized graphene and its electrocatalysis for methanol oxidation

    International Nuclear Information System (INIS)

    Liang, Qingsheng; Zhang, Li; Cai, Maolin; Li, Yong; Jiang, Kun; Zhang, Xin; Shen, Pei Kang

    2013-01-01

    Water-dispersible 8-hydroxy-1,3,6-pyrene trisulfonic acid trisodium salt (PyS)-functionalized graphene (PyS-graphene) sheets were prepared by a π–π interaction method, in which the aromatic organic molecules of PyS were reacted with graphene. The PyS-graphene sheets were used as Pt nanoparticle support to prepare a Pt/PyS-graphene catalyst for direct methanol fuel cells. The prepared materials were characterized by ultraviolet spectrometry (UV–vis), Fourier transform infrared spectrometry (FT-IR), atomic force microscopy (AFM), X-ray diffraction (XRD), Raman spectroscopy (SERS), and transmission electron microscopy (TEM). The electrocatalytic properties of the catalysts for methanol oxidation were evaluated by cyclic voltammetry (CV). The Pt/PyS-graphene catalysts were found to have higher electrocatalytic activity for methanol oxidation than Pt/graphene catalyst. This finding can be attributed to the introduction of negative sulfonic (SO 3 − ) groups to the graphene sheet surface, which makes the graphene sheets dispersible in water. Consequently, the Pt nanoparticles were uniformly and securely deposited onto the graphene sheet surface. These results suggested that the sulfonic group-modified water-dispersible graphene sheets can be used to improve the electrocatalytic activity of catalysts for fuel cells

  2. Effects of temperature and relative humidity on DNA methylation.

    Science.gov (United States)

    Bind, Marie-Abele; Zanobetti, Antonella; Gasparrini, Antonio; Peters, Annette; Coull, Brent; Baccarelli, Andrea; Tarantini, Letizia; Koutrakis, Petros; Vokonas, Pantel; Schwartz, Joel

    2014-07-01

    Previous studies have found relationships between DNA methylation and various environmental contaminant exposures. Associations with weather have not been examined. Because temperature and humidity are related to mortality even on non-extreme days, we hypothesized that temperature and relative humidity may affect methylation. We repeatedly measured methylation on long interspersed nuclear elements (LINE-1), Alu, and 9 candidate genes in blood samples from 777 elderly men participating in the Normative Aging Study (1999-2009). We assessed whether ambient temperature and relative humidity are related to methylation on LINE-1 and Alu, as well as on genes controlling coagulation, inflammation, cortisol, DNA repair, and metabolic pathway. We examined intermediate-term associations of temperature, relative humidity, and their interaction with methylation, using distributed lag models. Temperature or relative humidity levels were associated with methylation on tissue factor (F3), intercellular adhesion molecule 1 (ICAM-1), toll-like receptor 2 (TRL-2), carnitine O-acetyltransferase (CRAT), interferon gamma (IFN-γ), inducible nitric oxide synthase (iNOS), and glucocorticoid receptor, LINE-1, and Alu. For instance, a 5°C increase in 3-week average temperature in ICAM-1 methylation was associated with a 9% increase (95% confidence interval: 3% to 15%), whereas a 10% increase in 3-week average relative humidity was associated with a 5% decrease (-8% to -1%). The relative humidity association with ICAM-1 methylation was stronger on hot days than mild days. DNA methylation in blood cells may reflect biological effects of temperature and relative humidity. Temperature and relative humidity may also interact to produce stronger effects.

  3. Methanol production from eucalyptus wood chips. Attachment IV. Health and safety aspects of the eucalypt biomass to methanol energy system

    Energy Technology Data Exchange (ETDEWEB)

    Fishkind, H.H.

    1982-06-01

    The basic eucalyptus-to-methanol energy process is described and possible health and safety risks are identified at all steps of the process. The toxicology and treatment for exposure to these substances are described and mitigating measures are proposed. The health and safety impacts and risks of the wood gasification/methanol synthesis system are compared to those of the coal liquefaction and conversion system. The scope of this report includes the health and safety risks of workers (1) in the laboratory and greenhouse, where eucalyptus seedlings are developed, (2) at the biomass plantation, where these seedlings are planted and mature trees harvested, (3) transporting these logs and chips to the refinery, (4) in the hammermill, where the logs and chips will be reduced to small particles, (5) in the methanol synthesis plant, where the wood particles will be converted to methanol, and (6) transporting and dispensing the methanol. Finally, the health and safety risks of consumers using methanol is discussed.

  4. Experimental Validation of Methanol Crossover in a Three-dimensional, Two-Fluid Model of a Direct Methanol Fuel Cell

    DEFF Research Database (Denmark)

    Olesen, Anders Christian; Berning, Torsten; Kær, Søren Knudsen

    2012-01-01

    A fully coupled three-dimensional, steady-state, two-fluid, multi-component and non-isothermal DMFC model has been developed in the commercial CFD package CFX 13 (ANSYS inc.). It accounts for the presence of micro porous layers, non-equilibrium phase change, and methanol and water uptake...... in the ionomer phase of the catalytic layer, and detailed membrane transport of methanol and water. In order to verify the models ability to predict methanol crossover, simulation results are compared with experimental measurements under different current densities along with air and methanol stoichiometries....... Methanol crossover is indirectly measured based on the combined anode and cathode exhaust CO2 mole fraction and by accounting for the CO2 production at the anode as a function of current density. This approach is simple and assumes that all crossed over methanol is oxidized. Moreover, it takes CO2...

  5. Toxicological Evaluation of Tetrameles nudiflora Methanolic Extract

    Directory of Open Access Journals (Sweden)

    Sofna DS Banjarnahor

    2015-01-01

    Full Text Available Exploration of Mekongga national park resulted in novel finding of anticancer property from Tetrameles nudiflora. The investigation of toxic features of T. nudiflora is vital for further studies of its pharmacological activities. Acute toxicity test was done on methanolic extracts of T. nudiflora in DDY mice. Animal models were ordered into five groups. Group 1 was given 1 ml solution of 2.5% Tween 80 in a sole oral dose. The remaining groups were appointed a sole dose of 1, 2, 4 and 8 g/kg body weight T. nudiflora, respectively. Toxic effects of the extract were evaluated on the basis of behavioral observations in the form of locomotor activity; curiosity; defecation; urination and also animal mortality. Observations were carried out for 14 days. No significant changes in body weight and behavioral activities were recorded. Mortality was recorded up to 22% of the male group, and 11% of the female group. The T. nudiflora extracts tested for toxicity against brine shrimp had 50% lethal concentration (LC50 values of 46.67 μg/ml. It can be concluded that methanol extracts of T. nudiflora are potential to be explored as anticancer (LC50= 46.67 μg/ml. The extract is slightly toxic in male mice with Lethal Dose 50 (LD50 12.6 g/kg body weight, and practically nontoxic for female (LD50>15 g/kg body weight

  6. Studies of pirimiphos-methyl residues in stored rice, using 14C-pirimiphos-methyl

    International Nuclear Information System (INIS)

    Varca, L.M.; Sanchez, T.E.; Gambalan, N.; Magallona, E.D.

    1990-01-01

    The distribution and persistence of pirimiphos-methyl on rice (hulled and unhulled) stored over a period of 6 months at 30 deg. C and about 11% moisture were studied using 14 C labelled insecticide. The procedures used for preparing the labelled formulation, applying the insecticide and for the handling and analysis of the grain samples were similar to those described for fenvalerate, see Varca, Sanchez and Magallona, ''Isotopic tracer aided studies of fenvalerate residues in stored products'', these Proceedings. After applying the pirimiphos-methyl, a concentration equal to 0.87 ppm was found on the hulled rice immediately after application; this concentration declined to 0.60 ppm after 6 months of storage. Over 28% of the residue was present in the seed in the methanol extractable form, and 38% was found on the surface at the end of the storage period. For the unhulled rice, most of the residue was retained in the hull with no decrease in the overall level during the storage period. (author)

  7. Comparative analysis of single-step and two-step biodiesel production using supercritical methanol on laboratory-scale

    International Nuclear Information System (INIS)

    Micic, Radoslav D.; Tomić, Milan D.; Kiss, Ferenc E.; Martinovic, Ferenc L.; Simikić, Mirko Ð.; Molnar, Tibor T.

    2016-01-01

    Highlights: • Single-step supercritical transesterification compared to the two-step process. • Two-step process: oil hydrolysis and subsequent supercritical methyl esterification. • Experiments were conducted in a laboratory-scale batch reactor. • Higher biodiesel yields in two-step process at milder reaction conditions. • Two-step process has potential to be cost-competitive with the single-step process. - Abstract: Single-step supercritical transesterification and two-step biodiesel production process consisting of oil hydrolysis and subsequent supercritical methyl esterification were studied and compared. For this purpose, comparative experiments were conducted in a laboratory-scale batch reactor and optimal reaction conditions (temperature, pressure, molar ratio and time) were determined. Results indicate that in comparison to a single-step transesterification, methyl esterification (second step of the two-step process) produces higher biodiesel yields (95 wt% vs. 91 wt%) at lower temperatures (270 °C vs. 350 °C), pressures (8 MPa vs. 12 MPa) and methanol to oil molar ratios (1:20 vs. 1:42). This can be explained by the fact that the reaction system consisting of free fatty acid (FFA) and methanol achieves supercritical condition at milder reaction conditions. Furthermore, the dissolved FFA increases the acidity of supercritical methanol and acts as an acid catalyst that increases the reaction rate. There is a direct correlation between FFA content of the product obtained in hydrolysis and biodiesel yields in methyl esterification. Therefore, the reaction parameters of hydrolysis were optimized to yield the highest FFA content at 12 MPa, 250 °C and 1:20 oil to water molar ratio. Results of direct material and energy costs comparison suggest that the process based on the two-step reaction has the potential to be cost-competitive with the process based on single-step supercritical transesterification. Higher biodiesel yields, similar or lower energy

  8. One-by-one single-molecule detection of mutated nucleobases by monitoring tunneling current using a DNA tip.

    Science.gov (United States)

    Bui, Phuc Tan; Nishino, Tomoaki; Shiigi, Hiroshi; Nagaoka, Tsutomu

    2015-01-31

    A DNA molecule was utilized as a probe tip to achieve single-molecule genetic diagnoses. Hybridization of the probe and target DNAs resulted in electron tunneling along the emergent double-stranded DNA. Simple stationary monitoring of the tunneling current leads to single-molecule DNA detection and discovery of base mismatches and methylation.

  9. Temperature dependence on mutual solubility of binary (methanol + limonene) mixture and (liquid + liquid) equilibria of ternary (methanol + ethanol + limonene) mixture

    International Nuclear Information System (INIS)

    Tamura, Kazuhiro; Li Xiaoli; Li Hengde

    2009-01-01

    Mutual solubility data of the binary (methanol + limonene) mixture at the temperatures ranging from 288.15 K close to upper critical solution temperature, and ternary (liquid + liquid) equilibrium (tie-lines) of the (methanol + ethanol + limonene) mixture at the temperatures (288.15, 298.15, and 308.15) K have been obtained. The experimental results have been represented accurately in terms of the extended and modified UNIQUAC models with binary parameters, compared with the UNIQUAC model. The temperature dependence of binary and ternary (liquid + liquid) equilibrium for the binary (methanol + limonene) and ternary (methanol + ethanol + limonene) mixtures could be calculated successfully using the extended and modified UNIQUAC model

  10. Sensor-less control of the methanol concentration of direct methanol fuel cells at varying ambient temperatures

    International Nuclear Information System (INIS)

    An, Myung-Gi; Mehmood, Asad; Ha, Heung Yong

    2014-01-01

    Highlights: • A new algorithm is proposed for the sensor-less control of methanol concentration. • Two different strategies are used depending on the ambient temperatures. • Energy efficiency of the DMFC system has been improved by using the new algorithm. - Abstract: A new version of an algorithm is used to control the methanol concentration in the feed of DMFC systems without using methanol sensors under varying ambient temperatures. The methanol concentration is controlled indirectly by controlling the temperature of the DMFC stack, which correlates well with the methanol concentration. Depending on the ambient temperature relative to a preset reference temperature, two different strategies are used to control the stack temperature: either reducing the cooling rate of the methanol solution passing through an anode-side heat exchanger; or, lowering the pumping rate of the pure methanol to the depleted feed solution. The feasibility of the algorithm is evaluated using a DMFC system that consists of a 200 W stack and the balance of plant (BOP). The DMFC system includes a sensor-less methanol controller that is operated using a LabView system as the central processing unit. The algorithm is experimentally confirmed to precisely control the methanol concentration and the stack temperature at target values under an environment of varying ambient temperatures

  11. Methanol Extract of Polyopes lancifolius Suppresses Tumor ...

    African Journals Online (AJOL)

    Tumor Necrosis Factor-α-Induced Matrix ... 614-054,4Department of Biomaterial Control (BK21 program) and Blue-Bio Industry Regional Innovation Center,. Dongeui ..... Molecules 2008; 13: ... pancreatic ductal carcinoma is associated with.

  12. [4-(Di-tert-butylfluorosilanylphenyl]methanol

    Directory of Open Access Journals (Sweden)

    Ljuba Iovkova-Berends

    2010-09-01

    Full Text Available The asymmetric unit of the title compound, C15H25FOSi, contains two independent molecules. Each of the Si atoms approximates the expected tetrahedral geometry with Si—F bond lengths of 1.6128 (11 and 1.6068 (11 Å in the two independent molecules. In the crystal, supramolecular chains along a are found mediated by O—H...O hydrogen bonds.

  13. Metabolic Engineering of Corynebacterium glutamicum for Methanol Metabolism

    Science.gov (United States)

    Witthoff, Sabrina; Schmitz, Katja; Niedenführ, Sebastian; Nöh, Katharina; Noack, Stephan

    2015-01-01

    Methanol is already an important carbon feedstock in the chemical industry, but it has found only limited application in biotechnological production processes. This can be mostly attributed to the inability of most microbial platform organisms to utilize methanol as a carbon and energy source. With the aim to turn methanol into a suitable feedstock for microbial production processes, we engineered the industrially important but nonmethylotrophic bacterium Corynebacterium glutamicum toward the utilization of methanol as an auxiliary carbon source in a sugar-based medium. Initial oxidation of methanol to formaldehyde was achieved by heterologous expression of a methanol dehydrogenase from Bacillus methanolicus, whereas assimilation of formaldehyde was realized by implementing the two key enzymes of the ribulose monophosphate pathway of Bacillus subtilis: 3-hexulose-6-phosphate synthase and 6-phospho-3-hexuloisomerase. The recombinant C. glutamicum strain showed an average methanol consumption rate of 1.7 ± 0.3 mM/h (mean ± standard deviation) in a glucose-methanol medium, and the culture grew to a higher cell density than in medium without methanol. In addition, [13C]methanol-labeling experiments revealed labeling fractions of 3 to 10% in the m + 1 mass isotopomers of various intracellular metabolites. In the background of a C. glutamicum Δald ΔadhE mutant being strongly impaired in its ability to oxidize formaldehyde to CO2, the m + 1 labeling of these intermediates was increased (8 to 25%), pointing toward higher formaldehyde assimilation capabilities of this strain. The engineered C. glutamicum strains represent a promising starting point for the development of sugar-based biotechnological production processes using methanol as an auxiliary substrate. PMID:25595770

  14. New Synthesis, Structure and Analgesic Properties of Methyl 1-R-4-Methyl-2,2-Dioxo-1H-2λ6,1-Benzothiazine-3-Carboxylates

    Directory of Open Access Journals (Sweden)

    Liliana Azotla-Cruz

    2017-01-01

    Full Text Available According to the principles of the methodology of bioisosteric replacements a series of methyl 1-R-4-methyl-2,2-dioxo-1H-2λ6,1-benzothiazine-3-carboxylates has been obtained as potential analgesics. In addition, a fundamentally new strategy for the synthesis of compounds of this chemical class involving the introduction of N-alkyl substituent at the final stage in 2,1-benzothiazine nucleus already formed has been proposed. Using nuclear magnetic resonance (NMR spectroscopy, mass spectrometry and X-ray diffraction analysis it has been proven that in the DMSO/K2CO3 system the reaction of methyl 4-methyl-2,2-dioxo-1H-2λ6,1-benzothiazine-3-carboxylate and alkyl halides leads to formation of N-substituted derivatives with good yields regardless of the structure of the alkylating agent. The peculiarities of NMR (1Н and 13С spectra of the compounds synthesized, their mass spectrometric behavior and the spatial structure are discussed. In N-benzyl derivative the ability to form a monosolvate with methanol has been found. According to the results of the pharmacological testing conducted on the model of the thermal tail-flick it has been determined that replacement of 4-ОН-group in methyl 1-R-4-hydroxy-2,2-dioxo-1H-2λ6,1-benzothiazine-3-carboxylates for the methyl group is actually bioisosteric since all methyl 1-R-4-methyl-2,2-dioxo-1H-2λ6,1-benzothiazine-3-carboxylates synthesized demonstrated a statistically significant analgesic effect. The majority of the substances can inhibit the thermal pain response much more effective than piroxicam in the same dose. Under the same conditions as an analgesic the N-methyl-substituted analog exceeds not only piroxicam, but more active meloxicam as well. Therefore, it deserves in-depth biological studies on other experimental models.

  15. Formation of Ultracold Molecules

    Energy Technology Data Exchange (ETDEWEB)

    Cote, Robin [Univ. of Connecticut, Storrs, CT (United States)

    2016-01-28

    Advances in our ability to slow down and cool atoms and molecules to ultracold temperatures have paved the way to a revolution in basic research on molecules. Ultracold molecules are sensitive of very weak interactions, even when separated by large distances, which allow studies of the effect of those interactions on the behavior of molecules. In this program, we have explored ways to form ultracold molecules starting from pairs of atoms that have already reached the ultracold regime. We devised methods that enhance the efficiency of ultracold molecule production, for example by tuning external magnetic fields and using appropriate laser excitations. We also investigates the properties of those ultracold molecules, especially their de-excitation into stable molecules. We studied the possibility of creating new classes of ultra-long range molecules, named macrodimers, thousand times more extended than regular molecules. Again, such objects are possible because ultra low temperatures prevent their breakup by collision. Finally, we carried out calculations on how chemical reactions are affected and modified at ultracold temperatures. Normally, reactions become less effective as the temperature decreases, but at ultracold temperatures, they can become very effective. We studied this counter-intuitive behavior for benchmark chemical reactions involving molecular hydrogen.

  16. Molecular dynamics simulations to examine structure, energetics, and evaporation/condensation dynamics in small charged clusters of water or methanol containing a single monatomic ion.

    Science.gov (United States)

    Daub, Christopher D; Cann, Natalie M

    2012-11-01

    We study small clusters of water or methanol containing a single Ca(2+), Na(+), or Cl(-) ion with classical molecular dynamics simulations, using models that incorporate polarizability via the Drude oscillator framework. Evaporation and condensation of solvent from these clusters is examined in two systems, (1) for isolated clusters initially prepared at different temperatures and (2) those with a surrounding inert (Ar) gas of varying temperature. We examine these clusters over a range of sizes, from almost bare ions up to 40 solvent molecules. We report data on the evaporation and condensation of solvent from the clusters and argue that the observed temperature dependence of evaporation in the smallest clusters demonstrates that the presence of heated gas alone cannot, in most cases, solely account for bare ion production in electrospray ionization (ESI), neglecting the key contribution of the electric field. We also present our findings on the structure and energetics of the clusters as a function of size. Our data agree well with the abundant literature on hydrated ion clusters and offer some novel insight into the structure of methanol and ion clusters, especially those with a Cl(-) anion, where we observe the presence of chain-like structures of methanol molecules. Finally, we provide some data on the reparameterizations necessary to simulate ions in methanol using the separately developed Drude oscillator models for methanol and for ions in water.

  17. Micro-syntheses for the use of carbon 13 or carbon 14. Micro-preparations of methyl alcohol, methyl iodide, and sodium acetate labeled in the methyl group; Microsyntheses pour l'emploi de carbone 13 ou de carbone 14. Micropreparations d'alcool methylique, d'iodure de methyle et d'acetate de sodium marque sur le groupement methyle

    Energy Technology Data Exchange (ETDEWEB)

    Baret, C; Pichat, L

    1951-11-01

    Apparatus and technique are described in detail for (1) reduction of CO{sub 2} to CH{sub 3}OH with LiAlH{sub 4}, (2) conversion of the methanol to CH{sub 3}I by HI, (3) formation of the Mg Grignard reagent, and (4) addition of inactive CO{sub 2} to form CH{sub 3}COOH. All these operations have been carried out on 0.005 moles. Methyl-labeled Na acetate has been prepared in 67% yield based on the Ba{sup 14}CO{sub 3} used as starting material. (author) [French] Description detaillee d'une technique deja connue pour la reduction du gaz carbonique en alcool methylique par LiAlH{sub 4}. Conversion du methanol en iodure de methyle. Ce dernier transforme en reactif de Grigard, et carbonate, fournit de l'acide acetique. Toutes ces operations on ete effectuees sur 5 x 10{sup -3} moles. La methode a ete appliquee a la synthese d'acetate de sodium marque par le groupement methyle par {sup 14}C avec un rendement global de 67% base sur le carbonate de baryum radioactif mis en oeuvre. (auteurs)

  18. Statistical analysis of the electrocatalytic activity of Pt nanoparticles supported on novel functionalized reduced graphene oxide-chitosan for methanol electrooxidation

    Science.gov (United States)

    Ekrami-Kakhki, Mehri-Saddat; Abbasi, Sedigheh; Farzaneh, Nahid

    2018-01-01

    The purpose of this study is to statistically analyze the anodic current density and peak potential of methanol oxidation at Pt nanoparticles supported on functionalized reduced graphene oxide (RGO), using design of experiments methodology. RGO is functionalized with methyl viologen (MV) and chitosan (CH). The novel Pt/MV-RGO-CH catalyst is successfully prepared and characterized with transmission electron microscopy (TEM) image. The electrocatalytic activity of Pt/MV-RGOCH catalyst is experimentally evaluated for methanol oxidation. The effects of methanol concentration and scan rate factors are also investigated experimentally and statistically. The effects of these two main factors and their interactions are investigated, using analysis of variance test, Duncan's multiple range test and response surface method. The results of the analysis of variance show that all the main factors and their interactions have a significant effect on anodic current density and peak potential of methanol oxidation at α = 0.05. The suggested models which encompass significant factors can predict the variation of the anodic current density and peak potential of methanol oxidation. The results of Duncan's multiple range test confirmed that there is a significant difference between the studied levels of the main factors. [Figure not available: see fulltext.

  19. Bis(1,3-dimethyl-1H-imidazolium hexafluorosilicate methanol 0.33-solvate

    Directory of Open Access Journals (Sweden)

    Maxim V. Borzov

    2013-08-01

    Full Text Available The title compound, 6C5H9N2+·3SiF62−·CH3OH, (I, was prepared by recrystallization of the crude salt from methanol along with solvent-free 2C5H9N2+·SiF62− (II. Crystals of these solvatomorphs can be separated manually. The solvate (I crystallizes in a rare hexagonal space group P6/mcc. Its asymmetric unit comprises one half of an imidazolium cation bisected by the crystallographic m-plane, one-sixth and one-twelfth of two crystallographically independent SiF62– dianions (Si atoms are located on the 3.2 and 6/m inversion centres, and one-twelfth of a methanol molecule (C atoms are situated on the 622 inversion centres, other atoms are disordered between general positions. In (I, all F atoms of 3.2-located SiF62– dianions participate in the formation of symmetry-equivalent contacts to the H atoms of imidazolium fragments, thus forming rod-type ensembles positioned on the -6 axes. These `pillar' rods are, in turn, F...H interlinked through SiF62– dianions disordered around the 6/m centres. The twelvefold disordered methanol molecules are appended to this array by O—H...F hydrogen bonds to the 6/m located SiF62– dianions. In terms of graph-set notation, the first and second level networks in (I are N1 = C22(7[3R44(14]D22(4 and N2 = D22(5 (C—H...O hydrogen bonds are not considered. After locating all symmetrically independent atoms in the cation and anions, there remained a strong (> 3 e Å−3 residual electron density peak located at the 622 inversion centre. Treatment of this pre-refined model with the SQUEEZE procedure in PLATON [Spek (2009. Acta Cryst. D65, 148–155] revealed two voids per unit cell, indicative of the presence of the solvent methanol molecule disordered about the 622 inversion centre.

  20. Molecular Active Sites in Heterogeneous Ir-La/C-Catalyzed Carbonylation of Methanol to Acetates.

    Science.gov (United States)

    Kwak, Ja Hun; Dagle, Robert; Tustin, Gerald C; Zoeller, Joseph R; Allard, Lawrence F; Wang, Yong

    2014-02-06

    We report that when Ir and La halides are deposited on carbon, exposure to CO spontaneously generates a discrete molecular heterobimetallic structure, containing an Ir-La covalent bond that acts as a highly active, selective, and stable heterogeneous catalyst for the carbonylation of methanol to produce acetic acid. This catalyst exhibits a very high productivity of ∼1.5 mol acetyl/mol Ir·s with >99% selectivity to acetyl (acetic acid and methyl acetate) without detectable loss in activity or selectivity for more than 1 month of continuous operation. The enhanced activity can be mechanistically rationalized by the presence of La within the ligand sphere of the discrete molecular Ir-La heterobimetallic structure, which acts as a Lewis acid to accelerate the normally rate-limiting CO insertion in Ir-catalyzed carbonylation. Similar approaches may provide opportunities for attaining molecular (single site) behavior similar to homogeneous catalysis on heterogeneous surfaces for other industrial applications.

  1. Negative linear compressibility and massive anisotropic thermal expansion in methanol monohydrate.

    Science.gov (United States)

    Fortes, A Dominic; Suard, Emmanuelle; Knight, Kevin S

    2011-02-11

    The vast majority of materials shrink in all directions when hydrostatically compressed; exceptions include certain metallic or polymer foam structures, which may exhibit negative linear compressibility (NLC) (that is, they expand in one or more directions under hydrostatic compression). Materials that exhibit this property at the molecular level--crystalline solids with intrinsic NLC--are extremely uncommon. With the use of neutron powder diffraction, we have discovered and characterized both NLC and extremely anisotropic thermal expansion, including negative thermal expansion (NTE) along the NLC axis, in a simple molecular crystal (the deuterated 1:1 compound of methanol and water). Apically linked rhombuses, which are formed by the bridging of hydroxyl-water chains with methyl groups, extend along the axis of NLC/NTE and lead to the observed behavior.

  2. The status of molecules

    International Nuclear Information System (INIS)

    Barnes, T.; Oak Ridge National Lab., TN; Tennessee Univ., Knoxville, TN

    1994-06-01

    This report summarizes the experimental and theoretical status of hadronic molecules, which are weakly-bound states of two or more hadrons. We begin with a brief history of the subject and discuss a few good candidates, and then abstract some signatures for molecules which may be of interest in the classification of possible molecule states. Next we argue that a more general understanding of 2 → 2 hadron-hadron scattering amplitudes will be crucial for molecule searches, and discuss some of our recent work in this area. We conclude with a discussion of a few more recent molecule candidates (notably the f o (1710)) which are not well established as molecules but satisfy some of the expected signatures. (Author)

  3. tert-Butyl 2-methyl-2-(4-nitrobenzoylpropanoate

    Directory of Open Access Journals (Sweden)

    Chelsey M. Crosse

    2010-02-01

    Full Text Available The title compound, C15H19NO5, is bent with a dihedral angle of 61.8 (2° between the mean planes of the benzene ring and a group encompassing the ester functionality (O=C—O—C. The dihedral angle of 0.8 (2° between the mean planes of the nitro group and the benzene ring indicates near coplanarity. In the crystal, each molecule is linked to four adjacent molecules by weak C—H...O hydrogen-bonding interactions. Both benzene H atoms ortho to the ketone O atom form C—H...O hydrogen bonds with the keto O atoms of two neighboring molecules (of the keto and ester groups, respectively, and the two other interactions involve the H atoms from a methyl group of the dimethyl residue, displaying C—H...O interactions with the O atoms of the nitro groups. These four interactions for each molecule lead to the formation of two-dimensional sheets with a hydrophilic interior, held together by weak hydrogen-bonded interactions, and a hydrophobic exterior composed of protruding methyl groups which interstack with the methyl groups in adjacent sheets.

  4. Picosecond infrared activation of methanol in acid zeolites

    NARCIS (Netherlands)

    Bonn, Miacha; van Santen, Rutger A.; Lercher, J.A.; Kleyn, Aart W.; Bakker, H.J.; Bakker, Huib J.

    1997-01-01

    Highly porous, crystalline zeolite catalysts are used industrially to catalyze the conversion of methanol to gasoline. We have performed a picosecond spectroscopic study providing insights into both the structure and the dynamics of methanol adsorbed to acid zeolites. We reveal the adsorption

  5. Evaluation of lubricity of methanolic extract of mango (Mangifera ...

    African Journals Online (AJOL)

    Methanolic extract of mango seed oil (Mangifera Indica) was evaluated for suitability as lubricant for machini-ng mild steel at various speeds, feeds and depths of cut. The coefficient of friction between the tool and chip in- dicated that the methanolic extract reduced friction between the tool and work piece. The oil also ...

  6. Antihyperglycaemic and hypolipidemic effect of methanol extracts of ...

    African Journals Online (AJOL)

    Purpose: To investigate the antihyperglycaemic and hypolipidemic potential of the methanol extracts of leaf, stem and root of Ageratum conyzoides in streptozotocin (STZ)-induced diabetic rats. Methods: The extract of each of the plant part was obtained by extraction in methanol. A total of 60 male Wistar albino rats (30 ...

  7. Immunomodulatory activity of methanol extract of Adansonia digitata L

    African Journals Online (AJOL)

    Purpose: To evaluate the immune-modulatory activities of various plant parts Adansonia digitata L. using delayed-type hypersensitivity rat model. Methods: Defatted leaf, root bark and fruit pulp of A. digitata were extracted with methanol. Immunomodulatory activity of the methanol extracts (250 and 500 mg/kg) were ...

  8. Methanol Oxidation Using Ozone on Titania-Supported Vanadium Catalyst

    Science.gov (United States)

    Ozone-enhanced catalytic oxidation of methanol has been conducted at mild temperatures of 100 to 250NC using V2O5/TiO2 catalyst prepared by the sol-gel method. The catalyst was characterized using XRD, surface area measurements, and temperature-programmed desorption of methanol. ...

  9. Evaluation of the antidiarrhoeal activity of 80% methanol extract and ...

    African Journals Online (AJOL)

    Lantana camara L. is one of the medicinal plants traditionally used for the treatment of diarrhoea in Ethiopia. The aim of this study was to evaluate antidiarrhoeal activity of the 80% methanol extract and solvent fractions using mice model of diarrhoea. The 80% methanol extract was prepared by maceration and the fractions ...

  10. Some behavioural studies on methanol root bark extract of Burkea ...

    African Journals Online (AJOL)

    The research was conducted to evaluate some central nervous system properties of the root bark methanol extractof B. africana in mice. It involved the following animal models: diazepam-induced sleep, hole-board and walking beam assay. Results: The methanol extract showed a significant decrease in the onset of sleep ...

  11. Antimicrobial activities of methanol and aqueous extracts of the stem ...

    African Journals Online (AJOL)

    Phytochemical analysis showed the presence of alkaloids, glycosides, proteins, carbohydrates, saponins, steroids, tannins and terpenoids in both the methanol and aqueous extracts. The antimicrobial activity result showed that the methanol extract significantly (P < 0.01) demonstrated antibacterial action against B. subtilis ...

  12. In vitro antioxidant activity and phytochemical screening of methanol ...

    African Journals Online (AJOL)

    In this study, phytochemical screening and in vitro antioxidant activity of methanol extracts of D. edulis and F. capensis leaves were evaluated. Each plant leaves were extracted in methanol using standard procedures. The phytochemical screening of the resulting extracts showed the presence of cardiac glycosides, ...

  13. Relaxant Activity of the Methanol Extract of Acanthus Montanus ...

    African Journals Online (AJOL)

    Purpose: To evaluate the effects of the methanol extract of Acanthus montanus on guinea pig trachealis muscle. Methods: Guinea pig tracheae were set up in 10 ml organ baths. The effect of the methanol extract of Acanthus montanus (0.5 - 8 mg/ml) on the spontaneous tone of the trachea and carbacholprecontracted ...

  14. Phytotoxic activity of the methanol leaves extract of Paullinia pinnata ...

    African Journals Online (AJOL)

    The activity of the extract against the growth of Lemna minor was used to investigate the phytotoxic activity. The activity of the methanol extract of P. pinnata leaves against Lemna minor increased in a dose- dependent manner and was significant at 1000 μg/ml. Therefore, the methanol leaves extract of P. pinnata exhibited ...

  15. The fate of methanol in thermophilic-anaerobic environments

    NARCIS (Netherlands)

    Paulo, P.L.

    2002-01-01

    Methanol is a simple C1-compound, which sustains a complex web of possible degradation routes under anaerobic conditions. Methanol can be the main pollutant in some specific wastewaters, but it is also a compound that may be formed under natural conditions, as intermediate in the decomposition of

  16. Four new depsides in Origanum dictamnus methanol extract

    NARCIS (Netherlands)

    Exarchou, V.; Takis, P.G.; Malouta, M.; Vervoort, J.; Karali, E.; Troganis, A.N.

    2013-01-01

    We herein describe the identification of four new depsides present in methanol extract of Origanum dictamnus. O. dictamnus’ (dittany) aerial parts methanol extract was subjected to semi-preparative RP-HPLC fractionation followed by identification of individual compounds in each fraction using 1D/2D

  17. Methanolic effect of Clerodendrum myricoides root extract on blood ...

    African Journals Online (AJOL)

    The present study deals with the toxicological investigations of chronic treatment with methanol root extract of Clerodendrum myricoides on body weight, hematological and biochemical parameters, and liver and kidney tissue sections. Mice treated with 100mg/kg bw/day of methanol extract showed no behavioral changes.

  18. Novel efficient process for methanol synthesis by CO2 hydrogenation

    NARCIS (Netherlands)

    Kiss, Anton Alexandru; Pragt, J.J.; Vos, H.J.; Bargeman, Gerrald; de Groot, M.T.

    2016-01-01

    Methanol is an alternative fuel that offers a convenient solution for efficient energy storage. Complementary to carbon capture activities, significant effort is devoted to the development of technologies for methanol synthesis by hydrogenation of carbon dioxide. While CO2 is available from plenty

  19. The JPL Direct Methanol Liquid-feed PEM Fuel Cell

    Science.gov (United States)

    Halpert, G.; Surampudi, S.

    1994-01-01

    Recently, there has been a breakthrough in fuel cell technology in the Energy Storage Systems Group at the Jet Propulsion Laboratory with the develpment of a direct methanol, liquid-feed, solid polymer electrolyte membrane (PEM) fuel cell... The methanol liquid-feed, solid polymer electrolyte (PEM) design has numerous system level advantages over the gas-feed design. These include:...

  20. Development of new membrane materials for direct methanol fuel cells

    NARCIS (Netherlands)

    Yildirim, M.H.

    2009-01-01

    Development of new membrane materials for direct methanol fuel cells Direct methanol fuel cells (DMFCs) can convert the chemical energy of a fuel directly into electrical energy with high efficiency and low emission of pollutants. DMFCs can be used as the power sources to portable electronic devices

  1. Anti-inflammatory, cytotoxic and antioxidant effects of methanolic ...

    African Journals Online (AJOL)

    ... 67.05μg/ml (ABTS). Methanol extract was able to inhibit inflammation by in vitro about 85-90% (HRBC stabilization method) and in vivo about 40-45% (Paw oedema method) anti-inflammatory assays compared to standard produced 50.04% at 6h period. In cytotoxicity assay (MTT assay) methanolic extract exhibited IC50 ...

  2. Adsorption of methanol, ethanol and water on well-characterized PtSn surface alloys

    Science.gov (United States)

    Panja, Chameli; Saliba, Najat; Koel, Bruce E.

    1998-01-01

    Adsorption and desorption of methanol (CH 3OH), ethanol (C 2H 5OH) and water on Pt(111) and two, ordered, PtSn alloys has been studied primarily using temperature-programmed desorption (TPD) mass spectroscopy. The two alloys studied were the {p(2 × 2) Sn}/{Pt(111) } and (√3 × √3) R30° {Sn}/{Pt(111) } surface alloys prepared by vapor deposition of Sn on Pt(111), with θSn = 0.25 and 0.33, respectively. All three molecules are weakly bonded and reversibly adsorbed under UHV conditions on all three surfaces, molecularly desorbing during TPD without any decomposition. The two PtSn surface alloys were found to chemisorb both methanol and ethanol slightly more weakly than on the Pt(111) surface. The desorption activation energies measured by TPD, and hence the adsorption energies, of both methanol and ethanol progressively decrease as the surface concentration of Sn increases, compared with Pt(111). The decreased binding energy leads one to expect a lower reactivity for these alcohols on the two alloys. The sticking coefficients and the monolayer coverages of these alcohols on the two alloys were identical to that on Pt(111) at 100 K, independent of the amount of Sn present in the surface layer. Alloying Sn in Pt(111) also slightly weakens the adsorption energy of water. Water clusters are formed even at low coverages on all three surfaces, eventually forming a water bilayer prior to the formation of a condensed ice phase. These results are relevant to a molecular-level explanation for the reactivity of Sn-promoted Pt surfaces that have been used in the electro-oxidation of simple organic molecules.

  3. Bio-methanol: Fuel of choice?

    International Nuclear Information System (INIS)

    Neill, D.R.; Yu, C.; Ho, T.; Tang, D.; Lee, M.

    1991-01-01

    The Hawaii Natural Energy Institute (HNEI) is working on four programs related to methanol: Biomass production, hydrogen, biomass conversion and transportation fuel demonstration. The biomass production program started eight years ago when the first Pacific Basin Biomass Workshop set forth a plan of action. Since then, much progress had been made toward implementing this plan. With support from the US Department of Energy (USDOE) through SERI, HNEI has been implementing a biomass production program that includes a resource assessment and computerized mapping of all agricultural lands, various field trials of promising species and research of harvesting and conversion technologies. Five to six percent of Hawaii's land area could yield sufficient feed-stock to replace all of the state's gasoline and diesel fuel from imported oil

  4. Cold Rydberg molecules

    Science.gov (United States)

    Raithel, Georg; Zhao, Jianming

    2017-04-01

    Cold atomic systems have opened new frontiers at the interface of atomic and molecular physics. These include research on novel types of Rydberg molecules. Three types of molecules will be reviewed. Long-range, homonuclear Rydberg molecules, first predicted in [1] and observed in [2], are formed via low-energy electron scattering of the Rydberg electron from a ground-state atom within the Rydberg atom's volume. The binding mostly arises from S- and P-wave triplet scattering. We use a Fermi model that includes S-wave and P-wave singlet and triplet scattering, the fine structure coupling of the Rydberg atom and the hyperfine structure coupling of the 5S1/2 atom (in rubidium [3]). The hyperfine structure gives rise to mixed singlet-triplet potentials for both low-L and high-L Rydberg molecules [3]. A classification into Hund's cases [3, 4, 5] will be discussed. The talk further includes results on adiabatic potentials and adiabatic states of Rydberg-Rydberg molecules in Rb and Cs. These molecules, which have even larger bonding length than Rydberg-ground molecules, are formed via electrostatic multipole interactions. The leading interaction term of neutral Rydberg-Rydberg molecules is between two dipoles, while for ionic Rydberg molecules it is between a dipole and a monopole. NSF (PHY-1506093), NNSF of China (61475123).

  5. Antibacterial properties of essential oils and methanol extracts of sweet basil Ocimum basilicum occurring in Bangladesh.

    Science.gov (United States)

    Hossain, M Amzad; Kabir, M J; Salehuddin, S M; Rahman, S M Mizanur; Das, A K; Singha, Sandip Kumar; Alam, Md Khorshed; Rahman, Atiqur

    2010-05-01

    The antibacterial potential of essential oils and methanol extracts of sweet basil Ocimum basilicum L. (Lamiaceae) was evaluated for controlling the growth range of food-borne pathogenic bacteria. Essential oils extracted by hydrodistillation from the leaves and stems were analyzed by GC-MS. Fifty-seven compounds representing 94.9 and 96.1% of the total leaf and stem oils, respectively, were identified, of which methyl chavicol (36.7 and 29.9%), gitoxigenin (9.3 and 10.2%), trimethoquinol (10.3 and 8.4%), beta-guaiene (3.7 and 4.1%), aciphyllene (3.4 and 3.0%), alizarin (3.2 and 4.4%), naphthaline (2.2 and 3.8%), (-)-caryophyllene (2.0 and 1.9%), and mequinol (1.6 and 1.8%) were the major compounds. The essential oils (10 microL/disc of 1:5, v/v dilution with methanol) and methanol extracts (300 microg/disc) of O. basilicum displayed a great potential of antibacterial activity against Bacillius cereus, B. subtilis, B. megaterium, Staphylococcus aureus, Listeria monocytogenes, Escherichia coli, Shigella boydii, S. dysenteriae, Vibrio parahaemolyticus, V. mimicus, and Salmonella typhi with their respective zones of inhibition of 11.2-21.1 mm and MIC values of 62.5-500 microg/mL. The results of this study suggest that the natural products derived from O. basilicum may have potential use in the food and/or pharmaceutical industries as antimicrobial agents.

  6. DEUTERIUM FRACTIONATION DURING AMINO ACID FORMATION BY PHOTOLYSIS OF INTERSTELLAR ICE ANALOGS CONTAINING DEUTERATED METHANOL

    Energy Technology Data Exchange (ETDEWEB)

    Oba, Yasuhiro; Watanabe, Naoki; Kouchi, Akira [Institute of Low Temperature Science, Hokkaido University, N19W8, Kita-ku, Sapporo, Hokkaido 060-0819 (Japan); Takano, Yoshinori, E-mail: oba@lowtem.hokudai.ac.jp [Department of Biogeochemistry, Japan Agency for Marine-Earth Science and Technology (JAMSTEC), 2-15 Natsushima, Yokosuka, Kanagawa 237-0061 (Japan)

    2016-08-10

    Deuterium (D) atoms in interstellar deuterated methanol might be distributed into complex organic molecules through molecular evolution by photochemical reactions in interstellar grains. In this study, we use a state-of-the-art high-resolution mass spectrometer coupled with a high-performance liquid chromatography system to quantitatively analyze amino acids and their deuterated isotopologues formed by the photolysis of interstellar ice analogs containing singly deuterated methanol CH{sub 2}DOH at 10 K. Five amino acids (glycine, α -alanine, β -alanine, sarcosine, and serine) and their deuterated isotopologues whose D atoms are bound to carbon atoms are detected in organic residues formed by photolysis followed by warming up to room temperature. The abundances of singly deuterated amino acids are in the range of 0.3–1.1 relative to each nondeuterated counterpart, and the relative abundances of doubly and triply deuterated species decrease with an increasing number of D atoms in a molecule. The abundances of amino acids increase by a factor of more than five upon the hydrolysis of the organic residues, leading to decreases in the relative abundances of deuterated species for α -alanine and β -alanine. On the other hand, the relative abundances of the deuterated isotopologues of the other three amino acids did not decrease upon hydrolysis, indicating different formation mechanisms of these two groups upon hydrolysis. The present study facilitates both qualitative and quantitative evaluations of D fractionation during molecular evolution in the interstellar medium.

  7. DEUTERIUM FRACTIONATION DURING AMINO ACID FORMATION BY PHOTOLYSIS OF INTERSTELLAR ICE ANALOGS CONTAINING DEUTERATED METHANOL

    International Nuclear Information System (INIS)

    Oba, Yasuhiro; Watanabe, Naoki; Kouchi, Akira; Takano, Yoshinori

    2016-01-01

    Deuterium (D) atoms in interstellar deuterated methanol might be distributed into complex organic molecules through molecular evolution by photochemical reactions in interstellar grains. In this study, we use a state-of-the-art high-resolution mass spectrometer coupled with a high-performance liquid chromatography system to quantitatively analyze amino acids and their deuterated isotopologues formed by the photolysis of interstellar ice analogs containing singly deuterated methanol CH 2 DOH at 10 K. Five amino acids (glycine, α -alanine, β -alanine, sarcosine, and serine) and their deuterated isotopologues whose D atoms are bound to carbon atoms are detected in organic residues formed by photolysis followed by warming up to room temperature. The abundances of singly deuterated amino acids are in the range of 0.3–1.1 relative to each nondeuterated counterpart, and the relative abundances of doubly and triply deuterated species decrease with an increasing number of D atoms in a molecule. The abundances of amino acids increase by a factor of more than five upon the hydrolysis of the organic residues, leading to decreases in the relative abundances of deuterated species for α -alanine and β -alanine. On the other hand, the relative abundances of the deuterated isotopologues of the other three amino acids did not decrease upon hydrolysis, indicating different formation mechanisms of these two groups upon hydrolysis. The present study facilitates both qualitative and quantitative evaluations of D fractionation during molecular evolution in the interstellar medium.

  8. Absorption cross-section measurements of methane, ethane, ethylene and methanol at high temperatures

    KAUST Repository

    Alrefae, Majed

    2014-09-01

    Mid-IR absorption cross-sections are measured for methane, ethane, ethylene and methanol over 2800-3400 cm-1 (2.9-3.6 μm) spectral region. Measurements are carried out using a Fourier-Transform-Infrared (FTIR) spectrometer with temperatures ranging 296-1100 K and pressures near atmospheric. As temperature increases, the peak cross-sections decrease but the wings of the bands increase as higher rotational lines appear. Integrated band intensity is also calculated over the measured spectral region and is found to be a very weak function of temperature. The absorption cross-sections of the relatively small fuels studied here show dependence on the bath gas. This effect is investigated by studying the variation of absorption cross-sections at 3.392 μm using a HeNe laser in mixtures of fuel and nitrogen, argon, or helium. Mixtures of fuel with He have the highest value of absorption cross-sections followed by Ar and N2. Molecules with narrow absorption lines, such as methane and methanol, show strong dependence on bath gas than molecules with relatively broader absorption features i.e. ethane and ethylene. © 2014 Elsevier Inc. All rights reserved.

  9. Oxidation stability of biodiesel fuel as prepared by supercritical methanol

    Energy Technology Data Exchange (ETDEWEB)

    Jiayu Xin; Hiroaki Imahara; Shiro Saka [Kyoto University, Kyoto (Japan). Department of Socio-Environmental Energy Science, Graduate School of Energy Science

    2008-08-15

    A non-catalytic supercritical methanol method is an attractive process to convert various oils/fats efficiently into biodiesel. To evaluate oxidation stability of biodiesel, biodiesel produced by alkali-catalyzed method was exposed to supercritical methanol at several temperatures for 30 min. As a result, it was found that the tocopherol in biodiesel is not stable at a temperature higher than 300{sup o}C. After the supercritical methanol treatment, hydroperoxides were greatly reduced for biodiesel with initially high in peroxide value, while the tocopherol slightly decreased in its content. As a result, the biodiesel prepared by the supercritical methanol method was enhanced for oxidation stability when compared with that prepared by alkali-catalyzed method from waste oil. Therefore, supercritical methanol method is useful especially for oils/fats having higher peroxide values. 32 refs., 8 figs., 3 tabs.

  10. Fate of methanol spills into rivers of varying geometry

    International Nuclear Information System (INIS)

    Jamali, M.; Lawrence, G.A.; Maloney, K.

    2002-01-01

    This paper describes the results of a study of potential environmental impacts of methanol releases into rivers. A number of hypothetical scenarios are defined, and dispersion of methanol in the selected rivers is investigated using a riverine dispersion-biodegradation model. The downstream variability of river flow and hydraulic geometry due to merging tributaries are included in the model. The model results are presented, and comparison is made with proposed allowable concentrations. An interesting finding is that the river variation has considerable effect on concentration distribution of methanol in the most critical scenario. A sensitivity analysis is made on the key modeling parameters such as the dispersion coefficient and the biodegradation rate. An analysis illustrating when water intake systems should potentially be shutdown in the event of a methanol release is also presented. In general, it is found the human health risks associated with the accidental release of methanol into riverine environments are low. (author)

  11. High performance direct methanol fuel cell with thin electrolyte membrane

    Science.gov (United States)

    Wan, Nianfang

    2017-06-01

    A high performance direct methanol fuel cell is achieved with thin electrolyte membrane. 320 mW cm-2 of peak power density and over 260 mW cm-2 at 0.4 V are obtained when working at 90 °C with normal pressure air supply. It is revealed that the increased anode half-cell performance with temperature contributes primarily to the enhanced performance at elevated temperature. From the comparison of iR-compensated cathode potential of methanol/air with that of H2/air fuel cell, the impact of methanol crossover on cathode performance decreases with current density and becomes negligible at high current density. Current density is found to influence fuel efficiency and methanol crossover significantly from the measurement of fuel efficiency at different current density. At high current density, high fuel efficiency can be achieved even at high temperature, indicating decreased methanol crossover.

  12. Biodiesel Production from Acidified Oils via Supercritical Methanol

    Directory of Open Access Journals (Sweden)

    Jianxin Li

    2011-12-01

    Full Text Available In biodiesel production, the vegetable oil used as raw material for transesterification should be free of water and free fatty acids (FFAs, which may consume catalyst and reduce catalyst efficiency. In this work biodiesel was prepared from acidified oils (AO through a supercritical methanol route, in which the esterification of FFAs and transesterification of glyceride with methanol occurred simultaneously. The effects of the mass ratio of methanol to AO, the operation temperature as well as the water content on the FFAs conversion and glycerol yield were investigated. The results indicated that the FFAs conversion for esterification under the condition of 1:1 methanol/oil ratio, 310 °C and 15 min reaction time reached 98.7%, and the glycerol yield for transesterification under 0.25:1 methanol/oil ratio, 290 °C and 20 min reaction time reached 63.5% respectively.

  13. Bifunctional anode catalysts for direct methanol fuel cells

    DEFF Research Database (Denmark)

    Rossmeisl, Jan; Ferrin, Peter; Tritsaris, Georgios

    2012-01-01

    Using the binding energy of OH* and CO* on close-packed surfaces as reactivity descriptors, we screen bulk and surface alloy catalysts for methanol electro-oxidation activity. Using these two descriptors, we illustrate that a good methanol electro-oxidation catalyst must have three key properties......: (1) the ability to activate methanol, (2) the ability to activate water, and (3) the ability to react off surface intermediates (such as CO* and OH*). Based on this analysis, an alloy catalyst made up of Cu and Pt should have a synergistic effect facilitating the activity towards methanol electro-oxidation....... Adding Cu to a Pt(111) surface increases the methanol oxidation current by more than a factor of three, supporting our theoretical predictions for improved electrocatalysts....

  14. Effect of biodiesel production parameters on viscosity and yield of methyl esters: Jatropha curcas, Elaeis guineensis and Cocos nucifera

    Directory of Open Access Journals (Sweden)

    Godwin Kafui Ayetor

    2015-12-01

    Full Text Available In this study, the effect of H2SO4 on viscosity of methyl esters from Jatropha oil (JCME, palm kernel oil (PKOME from Elaeis guineensis species, and coconut oil (COME has been studied. Effect of methanol to oil molar mass ratio on yield of the three feedstocks has also been studied. Methyl ester yield was decreased by esterification process using sulphuric acid anhydrous (H2SO4. Jatropha methyl ester experienced a viscosity reduction of 24% (4.1–3.1 mm2/s with the addition of 1% sulphuric acid. In this work palm kernel oil (PKOME, coconut oil (COME and Jatropha oil (JCME were used as feedstocks for the production of biodiesel to investigate optimum parameters to obtain high yield. For each of the feedstock, the biodiesel yield increased with increase in NaOH concentration. The highest yield was obtained with 1% NaOH concentration for all. The effect of methanol in the range of 4:1–8:1 (molar ratio was investigated, keeping other process parameters fixed. Optimum ratios of palm kernel oil and coconut oil biodiesels yielded 98% each at methanol:oil molar ratio of 8:1. The physiochemical properties obtained for each methyl showed superior properties compared with those reported in published data.

  15. Homologation of methanol catalyzed by transition metal complexes in the presence of tertiary amines

    Energy Technology Data Exchange (ETDEWEB)

    Tanaka, Masato; Ogata, Ikuei

    1987-12-18

    This paper describes the homologation of methanol by transition metal carbonyl catalysts in the presence of tertiary amines. Methanol was reacted with amine using a catalyst at 180/sup 0/C under 100 atm in the atmosphere of CO and H/sub 2/ mixed at the ratio of 4 in an autoclave. The reaction activities and selectivities of ethanol using iron carbonyl and Co carbonyl catalysts are superior. Only the iron catalyst was used hereafter because phosphine is required for the latter catalyst. N-methyl- piperidine, a cyclic amine, is superior to the other amines. The selectivity of ethanol is higher under higher partial pressure of H/sub 2/ and lower partial pressure of CO. The conversion rate is optimum at 180/sup 0/ and it goes down with increasing the temperature from it. Since the selectivity is markedly decreased with increasing amine, the reaction activity must be balanced with the amount of amine. The presence of solvent affects it. (3 figs, 6 tabs, 15 refs)

  16. Synthesis of carbon-supported copper catalyst and its catalytic performance in methanol dehydrogenation

    Energy Technology Data Exchange (ETDEWEB)

    Shelepova, Ekaterina V. [Boreskov Institute of Catalysis SB RAS, pr. Ac. Lavrentieva, 5, Novosibirsk, 630090 (Russian Federation); National Research Tomsk Polytechnic University, Lenin av., 30, Tomsk, 634050 (Russian Federation); Vedyagin, Aleksey A., E-mail: vedyagin@catalysis.ru [Boreskov Institute of Catalysis SB RAS, pr. Ac. Lavrentieva, 5, Novosibirsk, 630090 (Russian Federation); National Research Tomsk Polytechnic University, Lenin av., 30, Tomsk, 634050 (Russian Federation); Ilina, Ludmila Yu.; Nizovskii, Alexander I. [Boreskov Institute of Catalysis SB RAS, pr. Ac. Lavrentieva, 5, Novosibirsk, 630090 (Russian Federation); Tsyrulnikov, Pavel G. [Institute of Hydrocarbon Processing SB RAS, Neftezavodskaya st., 54, Omsk, 644040 (Russian Federation)

    2017-07-01

    Highlights: • Carbon-supported copper catalyst was studied in dehydrogenation of methanol. • Reduction temperature affected size of Cu particles and Cu{sup 0}/Cu{sup 2+} ratio. • Reduction at 400 °C was required to obtain high methyl formate yield. - Abstract: Carbon-supported copper catalyst was prepared by incipient wetness impregnation of Sibunit with an aqueous solution of copper nitrate. Copper loading was 5 wt.%. Temperature of reductive pretreatment was varied within a range of 200–400 °C. The samples were characterized by transmission electron microscopy, X-ray diffraction analysis, X-ray photoelectron and X-ray absorption spectroscopies. Catalytic activity of the samples was studied in a reaction of methanol dehydrogenation. Silica-based catalyst with similar copper loading was used as a reference. It was found that copper is distributed over the surface of support in the form of metallic and partially oxidized particles of about 12–17 nm in size. Diminished interaction of copper with support was supposed to be responsible for high catalytic activity.

  17. Thermal unimolecular decomposition of methanol. Zum thermischen unimolekularen Zerfall von Methanol

    Energy Technology Data Exchange (ETDEWEB)

    Spindler, K

    1979-01-01

    The thermal unimolecular decomposition of methanol and that of acetone (1B) were investigated experimentally after reflected shockwaves, by following up the OH and CH/sub 3/ absorption or the CH/sub 3/ and acetone absorption respectively. A computer simulation of the decomposition of methanol and the subsequent reactions was done. This gave velocity constants for some reactions, which are different from those that are found in the literature. The experimental investigation of the decomposition of acetone, from comparison of the results with the data in the literature, shows that the observations of CH/sub 3/ absorption are very suitable for obtaining velocity constants for decomposition reactions, where CH/sub 3/ radicals are formed in the first stage.

  18. Studies on Methanol Crossover in Liquid-Feed Direct Methanol Pem Fuel Cells

    Science.gov (United States)

    Narayanan, S. R.

    1995-01-01

    The performance of liquid feed direct methanol fuel cells using various types of Nafion membranes as the solid polymer electrolyte have been studied. The rate of fuel crossover and electrical performance has been measured for cells with Nafion membranes of various thicknesses and equivalent weights. The crossover rate is found to decrease with increasing thickness and applied current. The dependence of crossover rate on current density can be understood in terms of a simple linear diffusion model which suggests that the crossover rate can be influenced by the electrode structure in addition to the membrane. The studies suggest that Nafion EW 1500 is a very promising alternate to Nafion EW 1100 for direct methanol fuel cells.

  19. Methylation in hepatocellular carcinoma

    Directory of Open Access Journals (Sweden)

    Regina M. Santella

    2007-02-01

    Full Text Available

    The development of HCC is a complex, multistep, multistage process. The molecular pathogenesis of HCC appears to involve multiple genetic aberrations in the molecular control of hepatocyte proliferation, differentiation and death and the maintenance of genomic integrity. This process is influenced by the cumulative activation and inactivation of oncogenes, tumor suppressor genes and other genes. p53, a tumor suppressor gene, is the most frequently mutated gene in human cancers. There is also a striking sequence specific binding and induction of mutations by AFB1 at codon 249 of p53 in HCC.

    Epigenetic alterations are also involved in cancer development and progression. Methylation of promoter CpG islands is associated with inhibition of transcriptional initiation and permanent silencing of downstream genes.

    It is now known that most important tumor suppressor genes are inactivated, not only by mutations and deletions but also by promoter methylation. Several studies indicated that p16, p15, RASSF1A, MGMT, and GSTP1 promoter hypermethylation are prevalent in HCC. In addition, geographic variation in the methylation status of tumor DNA indicates that environmental factors may influence the frequent and concordant degree of hypermethylation in multiple genes in HCC and that epigeneticenvironmental interactions may be involved in hepatocarcinogenesis. We have found significant relationships between promoter methylation and AFB1-DNA adducts confirming the impact of environmental exposures on gene methylation.

    DNA isolated from serum or plasma of cancer patients frequently contains the same genetic and

  20. Revealing Lattice Expansion of Small-Pore Zeolite Catalysts during the Methanol-to-Olefins Process Using Combined Operando X-ray Diffraction and UV-vis Spectroscopy.

    Science.gov (United States)

    Goetze, Joris; Yarulina, Irina; Gascon, Jorge; Kapteijn, Freek; Weckhuysen, Bert M

    2018-03-02

    In small-pore zeolite catalysts, where the size of the pores is limited by eight-ring windows, aromatic hydrocarbon pool molecules that are formed inside the zeolite during the Methanol-to-Olefins (MTO) process cannot exit the pores and are retained inside the catalyst. Hydrocarbon species whose size is comparable to the size of the zeolite cage can cause the zeolite lattice to expand during the MTO process. In this work, the formation of retained hydrocarbon pool species during MTO at a reaction temperature of 400 °C was followed using operando UV-vis spectroscopy. During the same experiment, using operando X-ray Diffraction (XRD), the expansion of the zeolite framework was assessed, and the activity of the catalyst was measured using online gas chromatography (GC). Three different small-pore zeolite frameworks, i.e., CHA, DDR, and LEV, were compared. It was shown using operando XRD that the formation of retained aromatic species causes the zeolite lattice of all three frameworks to expand. Because of the differences in the zeolite framework dimensions, the nature of the retained hydrocarbons as measured by operando UV-vis spectroscopy is different for each of the three zeolite frameworks. Consequently, the magnitude and direction of the zeolite lattice expansion as measured by operando XRD also depends on the specific combination of the hydrocarbon species and the zeolite framework. The catalyst with the CHA framework, i.e., H-SSZ-13, showed the biggest expansion: 0.9% in the direction along the c -axis of the zeolite lattice. For all three zeolite frameworks, based on the combination of operando XRD and operando UV-vis spectroscopy, the hydrocarbon species that are likely to cause the expansion of the zeolite cages are presented; methylated naphthalene and pyrene in CHA, 1-methylnaphthalene and phenalene in DDR, and methylated benzene and naphthalene in LEV. Filling of the zeolite cages and, as a consequence, the zeolite lattice expansion causes the