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Relevant bibliographies by topics / Methanol-water

Academic literature on the topic 'Methanol-water'

Author: Grafiati

Published: 18 May 2024

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Journal articles on the topic "Methanol-water"

1

Fileti, Eudes E., and Sylvio Canuto. "Calculated infrared spectra of hydrogen-bonded methanol-water, water-methanol, and methanol-methanol complexes." International Journal of Quantum Chemistry 104, no. 5 (2005): 808–15. http://dx.doi.org/10.1002/qua.20585.

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Barraclough, Colin G., Peter T. McTigue, and Y. Leung Ng. "Surface potentials of water, methanol and water + methanol mixtures." Journal of Electroanalytical Chemistry 329, no. 1-2 (July 1992): 9–24. http://dx.doi.org/10.1016/0022-0728(92)80205-i.

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Kurihara, Kiyofumi, Tsuyoshi Minoura, Kouichi Takeda, and Kazuo Kojima. "Isothermal Vapor-Liquid Equilibria for Methanol + Ethanol + Water, Methanol + Water, and Ethanol + Water." Journal of Chemical & Engineering Data 40, no. 3 (May 1995): 679–84. http://dx.doi.org/10.1021/je00019a033.

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Masella, Michel, and Jean Pierre Flament. "Relation between cooperative effects in cyclic water, methanol/water, and methanol trimers and hydrogen bonds in methanol/water, ethanol/water, and dimethylether/water heterodimers." Journal of Chemical Physics 108, no. 17 (May 1998): 7141–51. http://dx.doi.org/10.1063/1.476131.

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5

Ratanakandilok, S. "Coal desulfurization with methanol/water and methanol/KOH." Fuel and Energy Abstracts 43, no. 4 (July 2002): 236. http://dx.doi.org/10.1016/s0140-6701(02)86071-4.

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Ratanakandilok, S., S. Ngamprasertsith, and P. Prasassarakich. "Coal desulfurization with methanol/water and methanol/KOH." Fuel 80, no. 13 (October 2001): 1937–42. http://dx.doi.org/10.1016/s0016-2361(01)00047-3.

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7

Rived, Fernando, Immaculada Canals, Elisabeth Bosch, and Martı́ Rosés. "Acidity in methanol–water." Analytica Chimica Acta 439, no. 2 (July 2001): 315–33. http://dx.doi.org/10.1016/s0003-2670(01)01046-7.

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Sun, Tong, Gerald Wilemski, Barbara N. Hale, and Barbara E. Wyslouzil. "The effects of methanol clustering on methanol–water nucleation." Journal of Chemical Physics 157, no. 18 (November 14, 2022): 184301. http://dx.doi.org/10.1063/5.0120876.

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The formation of subcritical methanol clusters in the vapor phase is known to complicate the analysis of nucleation measurements. Here, we investigate how this process affects the onset of binary nucleation as dilute water–methanol mixtures in nitrogen carrier gas expand in a supersonic nozzle. These are the first reported data for water–methanol nucleation in an expansion device. We start by extending an older monomer–dimer–tetramer equilibrium model to include larger clusters, relying on Helmholtz free energy differences derived from Monte Carlo simulations. The model is validated against the pressure/temperature measurements of Laksmono et al. [Phys. Chem. Chem. Phys. 13, 5855 (2011)] for dilute methanol–nitrogen mixtures expanding in a supersonic flow prior to the appearance of liquid droplets. These data are well fit when the maximum cluster size imax is 6–12. The extended equilibrium model is then used to analyze the current data. On the addition of small amounts of water, heat release prior to particle formation is essentially unchanged from that for pure methanol, but liquid formation proceeds at much higher temperatures. Once water comprises more than ∼24 mol % of the condensable vapor, droplet formation begins at temperatures too high for heat release from subcritical cluster formation to perturb the flow. Comparing the experimental results to binary nucleation theory is challenged by the need to extrapolate data to the subcooled region and by the inapplicability of explicit cluster models that require a minimum of 12 molecules in the critical cluster.

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Tian, Gang, Cong Yang, Xiaoxia Li, Guoxu He, Xiaojun Zhao, Xiaoming Peng, Cuiqing Li, Liang Chen, and Binbin Zhang. "Determination and correlation of refractive index of three binary and ternary systems containing hydroxyl ionic liquids/ water/methanol." Materials Express 10, no. 4 (April 1, 2020): 469–78. http://dx.doi.org/10.1166/mex.2020.1667.

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In this paper, the refractive index of methanol + water, [HOEMIm]Cl + methanol, [HOEMMIm]Cl + methanol, [OHEN1,1,1]Cl + methanol, [HOEMIm]Cl + water, [OHEN1,1,1]Cl + water, [HOEMMIm]Cl + water, [OHEN1,1]Cl + water, [HOEMIm]Cl + methanol + water, [HOEMMIm]Cl + methanol + water and [OHEN1,1,1]Cl+methanol+water at different temperatures were determined by refractometer. The physical database of hydroxyl ionic liquids was enriched, and the excess refractive index of these systems was obtained by calculation. The relationship between the refractive index or the excess refractive index and the composition mole fraction were established at 20 °C.

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Buettner, Joerg, Maritza Gutierrez, and A. Henglein. "Sonolysis of water-methanol mixtures." Journal of Physical Chemistry 95, no. 4 (February 1991): 1528–30. http://dx.doi.org/10.1021/j100157a004.

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Dissertations / Theses on the topic "Methanol-water"

1

Xu, Chao. "Transport phenomena of methanol and water in liquid feed direct methanol fuel cells /." View abstract or full-text, 2008. http://library.ust.hk/cgi/db/thesis.pl?MECH%202008%20XU.

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2

Dixit, Sanhita. "Molecular models of hydration in methanol-water mixtures." Thesis, University of Edinburgh, 2002. http://hdl.handle.net/1842/10880.

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The work presented in this thesis addresses the issue of hydration of a simple amphiphile-like molecule; methanol. High-resolution Raman spectroscopy is used to study methanol-water mixtures over the whole concentration range. A highly non-linear dependence of the carbon-oxygen and carbon-hydrogen stretching frequencies with composition is observed. The data suggest the first global picture of the progressive hydration of methanol: water first breaks up the molecular chains which exist in pure methanol, and then completely hydrates the hydroxyl groups before solvating in hydrophobic methyl groups. In order to corroborate this proposed picture, neutron diffraction experiments using hydrogen/deuterium substitution were performed on a concentrated methanol in water mixture (70 mole% methanol : 30 mole% water) and a dilute methanol in water mixture (5 mole% methanol : 95 mole% water). The diffraction data were modelled using the Empirical Potential Structural Refinement technique. In the concentrated mixture, although there is insufficient water for the classical hydrophobic mechanism to operate, the structural effects observed are consistent with those that might be expected in a hydrophobically driven system. An unexpected reduction is found in the methyl-methyl contact distance compared to pure methanol, which corresponds to an overall compressive effect apparently driven by hydrogen bonding of the added water to the alcohol hydroxyl groups. Surprisingly, the water structure is largely preserved in this mixture. The results obtained provide unambiguous evidence for the preferential interaction of the methanol hydroxyl group with water and suggest that hydrogen bonding interactions between water and polar groups of amphiphilic molecules may be more important than previously thought.

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Waghe, Aparna. "Computer Simulations of Water and Methanol in Carbon Nanotube." Fogler Library, University of Maine, 2007. http://www.library.umaine.edu/theses/pdf/WagheA2007.pdf.

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4

Lancaster, N. M. "Excess enthalpies of mixtures containing water and methanol vapours." Thesis, University of Bristol, 1986. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.375388.

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5

Lee, Christopher. "Computer simulation of ethylene glycol oxidation and methanol-water interactions." Thesis, Cardiff University, 2013. http://orca.cf.ac.uk/51368/.

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In this project, density functional theory calculations were performed to study the adsorption of ethylene glycol to the MgO (100), MgO (130), Al2O3 (0001), PdO (101) surfaces, as well as Au38 and Au38O16 nanoparticles. Adsorption of ethylene glycol is favourable to all of these surfaces with Al2O3 (0001) and PdO (101) showing the most favourable adsorption at -168 kJ mol-1 and -135 kJ mol-1 respectively. The MgO surfaces showed adsorption energies between -80 kJ mol-1 and -100 kJ mol-1, and the gold nanoparticles showed lower adsorption energies at approximately -35 kJ mol-1. Barriers to O-H activation and C-H activation of ethylene glycol were also studied on these surfaces. The barriers to O-H activation were small over each of the surfaces (between 8 and 46 kJ mol-1) and large for the gold nanoparticles (108 kJ mol-1). The barriers to C-H activation were very large over the MgO surfaces (>300 kJ mol-1), and lower over the PdO (101) surface (63 kJ mol-1) and the gold nanoparticles (68 kJ mol-1). C-H activation was found to not be possible over the Al2O3 (0001) surface. Classical molecular dynamics studies were performed on various water and methanol mixtures as well as in the presence of a hydroxylated Al2O3 (0001) surface. It was found that in methanol there are on average 1.1 oxygen – oxygen close contacts with other methanol molecules in pure methanol, and water has on average between 2.03 and 2.86 oxygen – oxygen close contacts, with more being present at higher temperatures. The presence of a hydroxylated aluminium oxide surface induces local ordering in the methanol molecules resulting in an increase in methanol – methanol and water – methanol oxygen – oxygen contacts, however there is a decrease in water oxygen – water oxygen contacts.

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Hama, Tetsuya. "Photodissociation dynamics of amorphous solid water and amorphous solid methanol." 京都大学 (Kyoto University), 2010. http://hdl.handle.net/2433/120883.

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Omideyi, T. O. "The economics of heat pump assisted distillation of methanol water mixtures." Thesis, University of Salford, 1986. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.376879.

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8

Powell, David Hugh. "The structure of solutions of simple electrolytes in water and methanol." Thesis, University of Bristol, 1989. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.330038.

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Chatterjee, Amritendu. "Solution properties of sodium carboxymethylcellulose in methanol-water mixed solvent media." Thesis, University of North Bengal, 2012. http://hdl.handle.net/123456789/1573.

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Genova-Koleva, Radostina Vasileva. "Electrocatalyst development for PEM water electrolysis and DMFC: towards the methanol economy." Doctoral thesis, Universitat de Barcelona, 2017. http://hdl.handle.net/10803/462861.

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In this thesis, the hydrogen obtained in a PEM water electrolizer (PEMWE) as a reactant to produce methanol when combined with the CO2 captured from the combustion of fossil fuels is proposed. Methanol is easy to manage as a fuel for DMFCs and this would help to recycle the CO2 responsible for the climate change. PEMWEs have several advantages in comparison with the alkaline electrolysis such as ecological cleanness, low power consumption, small mass, and high purity of the evolved gases. TiO2 nanoparticles and nanotubes as supports for electrocatalysts for hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) were developed. TiO2 and Nb-doped TiO2 with different Nb contents (3-10 at.% Nb vs. Ti) were synthesized via sol-gel method, whereas TiO2 nanotubes (TNT) and Nb-doped TiO2 nanotubes (Nb-TNT) were prepared by the hydrothermal method. The specific surface areas were in the range of 80-100 m2 g-1 for nanoparticles and in the range 150 – 300 m2 g-1 for nanotubes. XPS measurements showed a local increase of the electron density on Pt when supported onto Nb-TNT, thus indicating a strong metal-support interaction. According to the electrochemical testing, the highest activity towards HER corresponded to Pt supported on 3 at. % Nb-TNT, obtaining better results than those reported in the literature using other materials. IrO2 and IrRuOx (atomic ratio Ir:Ru equal to 60:40) as OER catalysts were synthesized via the hydrolysis method. From the electrochemical experiments, the highest OER activity of IrO2/Nb-TNT, due to the better dispersion of IrO2 onto the support, was shown. The catalysts supported onto Nb-doped TNT presented the lowest overpotentials for OER. MEAs 5 cm2 in section were prepared using a new low temperature decal method. IrO2, IrRuOx and 50 wt. % IrO2/Nb-TNT were applied as the anode electrocatalysts with a catalyst loading optimized to 2.0 mgoxide cm-2. Pt loading on the cathode was optimized to 0.5 mgPt cm-2 (Pt black and 20 wt. % Pt/Vulcan XC72 were used). The best performance at 80 °C corresponded to current densities of 0.100 and 0.500 A cm-2 at 1.430 and 1.494 V, respectively, with 50 wt.% IrO2/Nb-TNT on the anode and 20 wt. % Pt/Vulcan XC72 on the cathode. The increase in cost of the MEA with respect to the use of unsupported IrO2 was not significant. Different solvents (n-butyl acetate (NBA) and 2-propanol (IPA)) having different polarity were used to prepare the catalyst inks of the DMFC electrodes. The catalysts were commercially available Pt and PtRu blacks. The light scattering experiments indicated that the PtRu-Nafion® aggregates in the inks prepared with NBA were larger. The SEM and porosimetry measurements of the catalyst layers showed that the secondary pore volume between the agglomerates was larger for NBA. The linear sweep voltammetry and electrochemical impedance spectroscopy (EIS) results for the methanol electrooxidation in the three-electrode cell denoted the higher active surface area for NBA. The transport limitation was more apparent for IPA because the corresponding size and porosity of the agglomerates formed by the ionomer and the catalyst nanoparticles were smaller than for NBA. The polarization curves of MEAs in which the anode catalyst layers were formulated with NBA and IPA were recorded in single DMFCs with 2 mol dm-3 CH3OH aqueous solutions at 60 °C. The cathode feed was dry synthetic air at atmospheric pressure. The power density given by the MEA prepared with NBA was about 74 % greater when compared to that prepared with IPA. The interpretation of the EIS results indicated that the proton resistance for NBA was significantly lower than for IPA, thus confirming the greater number of accessible active sites for methanol oxidation in the former.
La economía del metanol contempla el uso de dicho alcohol como combustible, obtenido a partir de hidrógeno y CO2 capturado de la combustión de combustibles fósiles, ayudando a mitigar el cambio climático. Para ello se han preparado nanopartículas y nanotubos de TiO2 y de TiO2 dopados con Nb como soportes de catalizadores para electrolizadores de agua PEM. El Nb permitió aumentar la superficie específica de los soportes hasta 300 m2 g-1 (nanotubos). Mediante XPS se demostró un aumento local de la densidad electrónica sobre el Pt soportado sobre TiO2 dopado con Nb, resultando el de contenido del 3 at. % en Nb el de mejores prestaciones para la reducción del hidrógeno, con valores superiores a los descritos en la literatura. Para el desprendimiento de oxígeno se sintetizaron los catalizadores IrO2 e IrRuOx (Ir: Ru de 60:40 at. %), también aplicados sobre nanotubos de TiO2. Se encontró una mejor actividad para IrO2 soportado sobre nanotubos de TiO2 dopados con Nb debido a una mejor dispersión del catalizador sobre el soporte. Se prepararon MEAs con los mejores electrodos para un electrolizador PEM mediante un nuevo método de calcomanía de baja temperatura. El mejor rendimiento correspondió al IrO2 (50 % en peso) soportado sobre nanotubos de TiO2 dopados con Nb en el ánodo, con escaso impacto económico con respecto al uso del IrO2 sin soportar. En cuanto a la pila de combustible DMFC, se prepararon electrodos de PtRu sin soportar, empleando tintas con Nafion y dos disolventes diferentes, con distinta polaridad, acetato de n-butilo (NBA) y 2-propanol (IPA). El tamaño de los agregados y la porosidad fue superior en NBA debido a su menor polaridad, obteniéndose también en este caso una mayor superficie activa. Las curvas de polarización en CH3OH 2 mol dm-3 y aire a 60 °C de los MEAs formulados con NBA, catalizados mediante negro de PtRu y negro de Pt en ánodo y cátodo, respectivamente, indicaron también mejores prestaciones cuando los MEAs se formularon con NBA en el ánodo en lugar de IPA. La densidad de corriente límite con NBA fue unas tres veces mayor y la densidad de potencia un 75% superior.

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Books on the topic "Methanol-water"

1

Omideyi, T. O. The economics of heat pump assisted distillation of methanol water mixtures. Salford: University of Salford, 1986.

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2

Watremetz, L. G. Modelling the methanol synthesis via the reverse water gas shift reaction. Manchester: UMIST, 1997.

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3

L, Dryer F., and United States. National Aeronautics and Space Administration., eds. Transient numerical modeling of the combustion of bi-component liquid droplets: Methanol/water mixture. [Washington, DC: National Aeronautics and Space Administration, 1994.

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4

Gabon, Jacqueline-Elizabeth. Fate of glucosinolates in methanol-ammonia-water treatment of canola seed. 1987.

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Transient numerical modeling of the combustion of bi-component liquid droplets: Methanol/water mixture. [Washington, DC: National Aeronautics and Space Administration, 1994.

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Winkler, Adolf. Reaction studies on nanostructured surfaces. Edited by A. V. Narlikar and Y. Y. Fu. Oxford University Press, 2017. http://dx.doi.org/10.1093/oxfordhb/9780199533046.013.12.

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This article examines the properties of some self-organized nanostructured surfaces with respect to specific model reactions, from a surface-science point of view. It begins with an overview of the most important types of nanostructured surfaces, their preparation and characterization. It then considers the fundamentals of reaction processes, focusing on the kinetics and dynamics of adsorption and desorption. It also describes the experimental techniques used in the context of reaction studies under ultrahigh-vacuum conditions. Finally, it presents some experimental results of model reactions, including hydrogen adsorption and desorption on stepped nickel surfaces, methanol adsorption on self-assembled copper-copper oxide surfaces, and hydrogen desorption and water formation on vanadium-oxide nanostructures on palladium surfaces.

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Ozone-enhanced biofiltration for geosmin and MIB removal. Denver, CO: Awwa Research Foundation and American Water Works Association, 2005.

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Summers, R. S., Paul Westerhoff, Z. Chowdhury, and Sunil Kommineni. Ozone-Enhanced Biofiltration for Geosmin and MIB Removal. American Water Works Research Foundation, 2006.

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Book chapters on the topic "Methanol-water"

1

Winkelmann, Jochen. "Diffusion coefficient of water in methanol." In Diffusion in Gases, Liquids and Electrolytes, 1304. Berlin, Heidelberg: Springer Berlin Heidelberg, 2017. http://dx.doi.org/10.1007/978-3-540-73735-3_1080.

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Winkelmann, Jochen. "Diffusion coefficient of methanol in water." In Diffusion in Gases, Liquids and Electrolytes, 588. Berlin, Heidelberg: Springer Berlin Heidelberg, 2017. http://dx.doi.org/10.1007/978-3-540-73735-3_369.

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Winkelmann, Jochen. "Diffusion coefficient of water in methanol." In Diffusion in Gases, Liquids and Electrolytes, 1746–48. Berlin, Heidelberg: Springer Berlin Heidelberg, 2018. http://dx.doi.org/10.1007/978-3-662-54089-3_1226.

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Winkelmann, Jochen. "Diffusion coefficient of methanol in water." In Diffusion in Gases, Liquids and Electrolytes, 143–54. Berlin, Heidelberg: Springer Berlin Heidelberg, 2018. http://dx.doi.org/10.1007/978-3-662-54089-3_77.

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Vogt, J. "96 CH6O2 Methanol - water (1/1)." In Asymmetric Top Molecules. Part 1, 224–25. Berlin, Heidelberg: Springer Berlin Heidelberg, 2010. http://dx.doi.org/10.1007/978-3-642-10371-1_98.

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Winkelmann, Jochen. "Diffusion coefficient of water-t in methanol." In Diffusion in Gases, Liquids and Electrolytes, 1736. Berlin, Heidelberg: Springer Berlin Heidelberg, 2018. http://dx.doi.org/10.1007/978-3-662-54089-3_1220.

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Winkelmann, Jochen. "Diffusion coefficient of water in methanol-d4." In Diffusion in Gases, Liquids and Electrolytes, 1741. Berlin, Heidelberg: Springer Berlin Heidelberg, 2018. http://dx.doi.org/10.1007/978-3-662-54089-3_1222.

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Winkelmann, Jochen. "Diffusion coefficient of methanol-d4 in water." In Diffusion in Gases, Liquids and Electrolytes, 81–82. Berlin, Heidelberg: Springer Berlin Heidelberg, 2018. http://dx.doi.org/10.1007/978-3-662-54089-3_46.

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Winkelmann, Jochen. "Diffusion coefficient of water-t into methanol and water solution." In Diffusion in Gases, Liquids and Electrolytes, 1616. Berlin, Heidelberg: Springer Berlin Heidelberg, 2017. http://dx.doi.org/10.1007/978-3-540-73735-3_1380.

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Shrivastava, Naveen, Rajkumar Chadge, Sanjeev Bankar, and Anil Bamnote. "Methanol and Water Crossover in a Passive Direct Methanol Fuel Cell: Mathematical Model." In Recent Advances in Chemical Engineering, 269–76. Singapore: Springer Singapore, 2016. http://dx.doi.org/10.1007/978-981-10-1633-2_29.

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Conference papers on the topic "Methanol-water"

1

Nakamura, Yoshimichi, and Takahisa Ohno. "Nanotube-Confined Liquids: Water and Methanol." In Proceedings of the 12th Asia Pacific Physics Conference (APPC12). Journal of the Physical Society of Japan, 2014. http://dx.doi.org/10.7566/jpscp.1.012073.

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Sorab, Jagadish, and Granger K. Chui. "Rheological Characterization of Lubricant-Methanol-Water Emulsions." In International Fuels & Lubricants Meeting & Exposition. 400 Commonwealth Drive, Warrendale, PA, United States: SAE International, 1992. http://dx.doi.org/10.4271/922283.

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Basori and Nyenyep Sriwardani. "Improving engine performance with distillated water-methanol." In PROCEEDINGS OF THE INTERNATIONAL MECHANICAL ENGINEERING AND ENGINEERING EDUCATION CONFERENCES (IMEEEC 2016). Author(s), 2016. http://dx.doi.org/10.1063/1.4965737.

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Lin, Lanchao, Richard Harris, Jacob Lawson, and Rengasamy Ponnappan. "Spray Cooling with Methanol and Water Mixtures." In 9th AIAA/ASME Joint Thermophysics and Heat Transfer Conference. Reston, Virigina: American Institute of Aeronautics and Astronautics, 2006. http://dx.doi.org/10.2514/6.2006-3410.

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Haendler, Brenda E., Chen-Li Sun, Kenneth I. Pettigrew, David C. Walther, and Albert P. Pisano. "Evaporation of Methanol/Water Mixtures in Microchannels." In ASME 2003 International Mechanical Engineering Congress and Exposition. ASMEDC, 2003. http://dx.doi.org/10.1115/imece2003-41863.

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This paper presents research on the evaporation of methanol/water mixtures in uniformly heated, constant cross-section silicon serpentine microchannels. The phase change of a variety of mixtures of methanol and water was observed, characterized and compared to the phase change both of pure water and pure methanol. Seven fluids were tested: pure water, pure methanol and five different molar fractions of methanol mixed with water. Flow rates were varied from Reynolds number five to ten. In the microscale system, it is shown that the flow boiling characteristics of the methanol/water mixtures are markedly different from those of pure liquids. Specifically, for the binary system there is a lack of a clear meniscus that spans the microchannel, which is seen in the pure fluid systems. Rather, the phase change of binary mixtures appears to occur over a much greater length of microchannel than for pure fluids. Unstable, intermittent evaporation fronts were also observed within the channels for moderate levels of superheat that are most likely dictated by the local temperature and pressure variations along the channel. Furthermore, at no time was bubble formation observed, despite the fact that several of the mixtures were subject to superheats as great as 20°C.

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Malone, Mark R. "Fracturing with Crosslinked Methanol in Water-Sensitive Formations." In SPE Permian Basin Oil and Gas Recovery Conference. Society of Petroleum Engineers, 2001. http://dx.doi.org/10.2118/70009-ms.

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Chen, Peng-Yu, Wei-Hui Chen, and Che-Wun Hong. "Nanofludic Analysis on Methanol Crossover of Direct Methanol Fuel Cells." In ASME 2008 First International Conference on Micro/Nanoscale Heat Transfer. ASMEDC, 2008. http://dx.doi.org/10.1115/mnht2008-52095.

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Direct methanol fuel cells (DMFCs) are considered as a competitive power source candidate for portable electronic devices. Nafion® has been widely used for the electrolyte of DMFCs because of its good proton conductivity and high chemical and mechanical stability. However, the major problem that must be solved before commercialization is the high methanol crossover through the membrane. There are a number of studies on experiments about the methanol crossover rate through the membrane but only few theoretical investigations have been presented [1–3]. In this paper, an atomistic model [4] is presented to analyze the molecular structure of the electrolyte and dynamic properties of nanofluids at different methanol concentration. In the same time, the nano-scopic phenomenon of methanol crossover through the membrane is observed. The simulation system consists of the Nafion fragments, hydronium ions, water clusters and methanol molecules. Fig. 1 shows the simplified Nafion fragment in our simulation. Both intra- and inter-molecular interactions were involved in this study. Intermolecular interactions include the van der Waals and the electrostatic potentials. Intramolecular interactions consist of bond, angle and dihedral potentials. The force constants used above were determined from the DREIDING force field. The SPC/E model was employed for water molecules. The three-site OPLS potential model was utilized for the intermolecular potential in methanol. Each proton which migrates inside the electrolyte is assumed to combine with one water molecule to form the hydronium (H3O+). The force parameters for the hydronium were taken from Burykin et al [5]. The atomistic simulation was carried out on the software DLPOLY. First, a 500 ps NPT ensemble was performed to make the system reach a proper configuration. This step was followed by another 500 ps NVT simulation. All molecular simulations were performed at a temperature of 323K with three-dimensional periodic boundary conditions. The intermolecular interactions were truncated at 10 Å and the equations of motion were solved using the Verlet scheme with a time step of 1 fs. Fig. 2 shows the calculated density of the simulation system for different methanol concentrations at 323K. It can be seen that the density decreases with the methanol uptakes. The volume of the system increases as the methanol concentration increases, which means that the membrane swelling with methanol uptakes. The radial distribution functions (RDFs) of the ether-like oxygen (O2) toward water and methanol molecules for different methanol concentrations at 323K are shown in Fig. 3. From this figure, we find that methanol molecules can reside in the vicinity of the hydrophobic part of the side chain while water can not. Fig. 4 shows the RDFs between the oxygen atom of the sulfonic acid groups (O3) and solvents for different methanol concentrations at 323K. As shown in Fig. 4, both water and methanol have a tendency to cluster near the sulfonic acid groups, but water molecules prefer to associate with the sulfonic acid groups in comparison with methanol molecules. The mean square displacements (MSDs) of water and methanol molecules for different methanol concentrations at 323K are displayed in Fig. 5. It is shown that MSD curves have a linear tendency, which means both water and methanol molecules are diffusing in the system during the simulation. As the methanol concentration increases, the slope of MSD curve increases for methanol and decreases for water. This indicates higher methanol content constrains the mobility of water molecules but enhances the mobility of methanol molecules that cross the electrolyte. In summary, molecular simulations of the Nafion membrane swollen in different methanol concentrations (0, 11.23, 21.40, 46.92 wt%) at 323K have been carried out. Both methanol migration mechanism and hydronium diffusion phenomenon have been visualized by monitoring the trajectories of the specific species in the system. MSDs are used to evaluate the mobility and shows that the higher the methanol concentration, the greater the tendency of methanol crossover.

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Schmitt, B., C. Kiefer, and A. Schütze. "D5.1 - Novel Microthermal Sensor for Quantification of Methanol in Water for Direct Methanol Fuel Cells." In AMA Conferences 2013. AMA Service GmbH, Von-Münchhausen-Str. 49, 31515 Wunstorf, Germany, 2013. http://dx.doi.org/10.5162/sensor2013/d5.1.

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Raston, Paul, and Maameyaa Asiamah. "HELIUM NANODROPLET ISOLATION SPECTROSCOPY OF METHANOL AND METHANOL-WATER CLUSTERS IN THE SYMMETRIC METHYL STRETCHING BAND." In 2022 International Symposium on Molecular Spectroscopy. Urbana, Illinois: University of Illinois at Urbana-Champaign, 2022. http://dx.doi.org/10.15278/isms.2022.wm01.

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Prasad, Kuldeep, Chiping Li, and K. Kailasanath. "Suppression of methanol liquid pool fires using water mist." In 37th Aerospace Sciences Meeting and Exhibit. Reston, Virigina: American Institute of Aeronautics and Astronautics, 1999. http://dx.doi.org/10.2514/6.1999-334.

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Reports on the topic "Methanol-water"

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Savidge. L52322 Effects of Methanol on Gas Measurement. Chantilly, Virginia: Pipeline Research Council International, Inc. (PRCI), September 2007. http://dx.doi.org/10.55274/r0010057.

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Upstream natural gas and related fluid operations often require the injection of methanol to prevent flow line constrictions and blockages caused by water and natural gas hydrates. Both the constrictions and methanol have a significant impact on measurement accuracy. Natural gas chromatographic analysis and related measurement practices do not account for constrictions or methanol in natural gas streams. API 14.2, A.G.A. Report No.8, A.G.A. Report No.10, ISO 12213, ISO 20765 and GPA 2172 do not account for methanol. Measurement and operation practices rely on accurate information to reduce errors. This report analyzes the effect of methanol on gas measurement physical properties. It establishes the relative effect of methanol on the physical properties by applying the Gas Research Institute's high accuracy equation of state for natural gases as distributed by API, A.G.A, ISO and others as API MPMS Chapter 14.2, A.G.A. Report No.8, A.G.A. Report No.10, ISO 12213 Part 2, and ISO 20765. It applies GPA 2172 for the analysis of the sensitivity of the heating value to methanol.

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George. PR-015-08610-R01 Laboratory Conformation of the Effect of Methanol on Gas Chromatograph Performance. Chantilly, Virginia: Pipeline Research Council International, Inc. (PRCI), November 2010. http://dx.doi.org/10.55274/r0010717.

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In natural gas production and processing applications, methanol is commonly injected into natural gas streams containing water to prevent the formation of hydrates in gas lines and subsequent equipment damage. However, gas chromatographs (GCs) at field sites are typically not equipped to identify or measure methanol, and unless excess methanol is expected to carry over into a gas stream, samples sent to a laboratory are not likely to be analyzed for methanol. As a result, the potential exists for errors in gas property determination, particularly in heating value and sound speed. A previous PRCI project investigated the potential for GCs to quantify methanol as a hydrocarbon, and estimated the resulting errors on heating value and other properties. This theoretical study used assumptions about where methanol would elute on GC columns, but experimental data on GC performance in streams with methanol was unavailable to verify these assumptions. To verify the estimates of the theoretical study, this project collected experimental data on methanol elution behavior in a series of field and laboratory GCs, and established the errors in computed natural gas properties caused by methanol behavior. Three GCs used by the laboratory of a PRCI member company were nominated for testing: ABB NGC 8206 C7+ field GC, Agilent Model 7890A laboratory GC, configured for extended natural gas analysis, and Daniel Model 575 C6+ field GC. The separation columns, valve configurations, and other design features of these GCs that could influence methanol elution were reviewed. Since each GC was predicted to respond differently to methanol, the nominated units were accepted for testing. A fourth GC, a Varian CP-4900 Quad MicroGC outfitted to quantify methanol, was provided to the lab to serve as a reference unit. Hydrocarbon base gas compositions were chosen to represent production and transmission gases and a gas blender was consulted to identify an effective method of stabilizing the methanol content of the test gases delivered to the GCs. Lab personnel and the gas blender then provided the required hardware and the test and calibration gases, with the gas blend compositions traceable to NIST.

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Steeper, R. R. Methane and methanol oxidation in supercritical water: Chemical kinetics and hydrothermal flame studies. Office of Scientific and Technical Information (OSTI), January 1996. http://dx.doi.org/10.2172/176803.

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Mills, Jennifer R. Investigation of Ion Transport Mechanisms in NAFION in the Presence of Water and Methanol. Fort Belvoir, VA: Defense Technical Information Center, January 1996. http://dx.doi.org/10.21236/ada375694.

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Woods, K. N., and H. Wiedemann. The Influence of Chain Dynamics on the Far Infrared Spectrum of Liquid Methanol-Water Mixtures. Office of Scientific and Technical Information (OSTI), July 2005. http://dx.doi.org/10.2172/878842.

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Prasad, Kuldeep, Chiping Li, and K. Kailasanath. Numerical Modeling of Fire Suppression Using Water Mist. 4. Suppression of Liquid Methanol Pool Fires. Fort Belvoir, VA: Defense Technical Information Center, December 1998. http://dx.doi.org/10.21236/ada357561.

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Yan. PR-261-123602-R01 Evaluation of the Corrosiveness of Glycol-Water Mixtures in Dry Gas Transmission Lines. Chantilly, Virginia: Pipeline Research Council International, Inc. (PRCI), May 2013. http://dx.doi.org/10.55274/r0010009.

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This report provides a review of the state-of-the-art knowledge on glycol-water mixtures carried over to dry gas transmission pipelines, i.e., physical properties, the causes of entry, and the corrosiveness. Findings obtained from literature include: Glycol-water mixtures can be potentially accumulated in dry gas transmission pipelines. Operation conditions of the dehydration unit should be optimized to control the amount and corrosiveness of glycol-water being carried over into transmission lines. The glycol-water hold-up in dry gas transmission pipelines contain high glycol content, i.e., greater than 95%. The accumulated glycol-water requires removal by direct drain from liquid traps, or by pigging either with methanol or water. For transmission pipelines transporting natural gas containing CO2, the most likely corrosion mechanism associated with glycol-water mixtures is general corrosion. The corrosion rate has been proven to be low, i.e., much lower than 0.1mm/year. For sour gas transmission pipelines, although general corrosion has been ruled out as a major concern, localized corrosion and HIC can occur in glycol-water mixtures. The rate of localized corrosion and HIC remains undefined. The list of recommendations to minimize the amount of glycol-water mixtures being carried over to dry gas transmission lines and to reduce the corrosion risks is developed. More research is required to study the potential corrosion mechanisms, i.e., pitting and HIC, of pipeline steels in glycol-water mixtures with high glycol content ( greater than 95%) under sour gas conditions.

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George and Hart. PR-015-06603-R02 Tests of Instruments for Measuring Hydrocarbon Dew Points in Natural Gas Streams Phase 2. Chantilly, Virginia: Pipeline Research Council International, Inc. (PRCI), September 2008. http://dx.doi.org/10.55274/r0010969.

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Research has assessed the accuracy of two commercially-available hydrocarbon dew point (HCDP) analyzers, an Ametek� Model 241 CE II and a Michell Condumax II. During a previous phase of this project, both automated analyzers, along with a Bureau of Mines chilled mirror device serving as a reference, were tested on gravimetrically-prepared gas blends chosen to simulate a transmission-quality gas and a production gas. The measurement repeatability of both units was found to be better than the manual chilled mirror. Trends in the analyzer and manual chilled mirror measurements suggested that differences in performance between the automated units were related to their measurement techniques and default set points. During the second phase of the project, the Ametek and Michell automated analyzers were tested again on the transmission-quality test gas used in Phase 1, but with specific levels of contamination added to gain knowledge of their performance under adverse conditions. In one round of tests, water vapor was added to simulate a transmission gas with water vapor levels above common tariff specifications. In the second round of tests, the test gas contained both methanol and water vapor, simulating a stream to which methanol has been added to prevent hydrates. Contaminants were added to the test gas stream in amounts such that, depending upon the pressure of the test stream, the contaminant dew point would be reached first, the HCDP would be reached first, or the two phases would condense simultaneously. Multiple HCDP measurements were made with the analyzers to determine their ability to accurately measure HCDPs under these adverse conditions. Analyzer results were again compared to HCDP measurements taken with the Bureau of Mines chilled mirror device and a digital video camera. Results were adjusted for small changes in the heavy hydrocarbon content of the test gases over time, using predictions from an equation of state and gas chromatographic analyses of the test gases.

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Annunziato, Dominick. HPLC Sample Prep and Extraction SOP v1.3 for Fungi. MagicMyco, August 2023. http://dx.doi.org/10.61073/sopv1.3.08.11.2023.

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medicine, industry, and biotechnology. Fungi produce a wide range of bioactive compounds, such as alkaloids, antibiotics, antifungals, immunomodulators, anticancer agents, enzymes, and vitamins. However, these compounds are often locked inside the fungal cell wall, which is composed of chitin, a tough substance that is dif�icult to digest by humans1. Therefore, it is essential to have a good extraction technique that can break down the chitin and release the valuable compounds from the fungi, this is especially essential in the laboratory for accurate lab assays and potency determination during routine HPLC chromatography analysis. During licensure and/ or certi�ication any given lab will be required to take a pro�iciency test which gauges the lab’s pro�iciency at measuring a given matrices for accurate evaluation. They evaluate our abilities to run the gear and accurately measure the potency of what was extracted; however, at the time of this writing none existed for extraction of the fungal material itself, so this remains a variable between testing labs. It is important that we openly share our extraction techniques for evaluating fungi materials speci�ically for the clean extraction of active alkaloids for which potency can be measure via chromatography and/or spectrometry devices. In this way hopefully creating less variables between testing lab and more concise results. In this paper, we present a novel sample prep and extraction technique for fungi that uses speci�ic solvent composition in conjunction with M.A.E (microwave assisted extraction) in 75% methanol , 25% water which helps break the cell wall to release the compounds. Also used is an ultrasonication unit and vortex mixer. Our technique quickly releases all the available alkaloids for accurate chromatography measurements in just two hours, forty-�ive minutes with minimal handling. We demonstrate the effectiveness and ef�iciency of our technique by applying it to magic mushroom fruit bodies for the extraction of tryptamines namely psilocybin and its active derivative psilocin; however, this technique can be used for other species of fungi and compounds like Cordyceps/ cordycepin or Lions’ mane/ erinacines, etc.. We also compare our technique with other popular methods in terms of extraction techniques, digestion times and solvent compositions. Our results show that our technique is superior to the others in terms of time and effectiveness while pulling all the active compounds and not degrading them. Our extraction technique for fungi chromatography analysis offers a new and improved way to access the natural products of fungi and explore their potential for various biotechnological applications. We hope that our technique will inspire further research and innovation in the field of fungal extraction and natural product.

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Jalkanen, Jukka-Pekka, Erik Fridell, Jaakko Kukkonen, Jana Moldanova, Leonidas Ntziachristos, Achilleas Grigoriadis, Maria Moustaka, et al. Environmental impacts of exhaust gas cleaning systems in the Baltic Sea, North Sea, and the Mediterranean Sea area. Finnish Meteorological Institute, 2024. http://dx.doi.org/10.35614/isbn.9789523361898.

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Description: Shipping is responsible for a range of different pressures affecting air quality, climate, and the marine environment. Most social and economic analyses of shipping have focused on air pollution assessment and how shipping may impact climate change and human health. This risks that policies may be biased towards air pollution and climate change, whilst impacts on the marine environment are not as well known. One example is the sulfur regulation introduced in January 2020, which requires shipowners to use a compliant fuel with a sulfur content of 0.5% (0.1% in SECA regions) or use alternative compliance options (Exhaust Gas Cleaning Systems, EGCS) that are effective in reducing sulfur oxide (SOx) emissions to the atmosphere. The EGCS cleaning process results in large volumes of discharged water that includes a wide range of contaminants. Although regulations target SOx removal, other pollutants such as polycyclic aromatic hydrocarbons (PAHs), metals and combustion particles are removed from the exhaust to the wash water and subsequently discharged to the marine environment. Based on dilution series of the Whole Effluent Testing (WET), the impact of the EGCS effluent on marine invertebrate species and on phytoplankton was found to vary between taxonomic groups, and between different stages of the invertebrate life cycle. Invertebrates were more affected than phytoplankton, and the most sensitive endpoint detected in the present project was the fertilisation of sea urchin eggs, which were negatively affected at a sample dilution of 1 : 1,000,000. Dilutions of 1: 100,000 were harmful to early development of several of the tested species, including mussels, polychaetes, and crustaceans. The observed effects at these low concentrations of EGCS effluent were reduced egg production, and deformations and abnormal development of the larvae of the species. The ecotoxicological data produced in the EMERGE project were used to derive Predicted No Effect Concentration values. Corresponding modelling studies revealed that the EGCS effluent can be considered as a single entity for 2-10 days from the time of discharge, depending on the environmental conditions like sea currents, winds, and temperature. Area 10-30 km outside the shipping lanes will be prone to contaminant concentrations corresponding to 1 : 1,000,000 dilution which was deemed harmful for most sensitive endpoints of WET experiments. Studies for the Saronikos Gulf (Aegean Sea) revealed that the EGCS effluent dilution rate exceeded the 1 : 1,000,000 ratio 70% of the time at a distance of about 10 km from the port. This was also observed for 15% of the time within a band of 10 km wide along the shipping lane extending 500 km away from the port of Piraeus. When mortality of adult specimens of one of the species (copepod Acartia tonsa) was used as an endpoint it was found to be 3-4 orders of magnitude less sensitive to EGCS effluent than early life stage endpoints like fertilisation of eggs and larval development. Mortality of Acartia tonsa is commonly used in standard protocols for ecotoxicological studies, but our data hence shows that it seriously underestimates the ecologically relevant toxicity of the effluent. The same is true for two other commonly used and recommended endpoints, phytoplankton growth and inhibition of bioluminescence in marine bacteria. Significant toxic effects were reached only after addition of 20-40% effluent. A marine environmental risk assessment was performed for the Öresund region for baseline year 2018, where Predicted Environmental Concentrations (PECs) of open loop effluent discharge water were compared to the PNEC value. The results showed modelled concentrations of open loop effluent in large areas to be two to three orders of magnitude higher than the derived PNEC value, yielding a Risk Characterisation Ratio of 500-5000, which indicates significant environmental risk. Further, it should be noted that between 2018-2022 the number of EGCS vessels more than quadrupled in the area from 178 to 781. In this work, the EGCS discharges of the fleet in the Baltic Sea, North Sea, the English Channel, and the Mediterranean Sea area were studied in detail. The assessments of impacts described in this document were performed using a baseline year 2018 and future scenarios. These were made for the year 2050, based on different projections of transport volumes, also considering the fuel efficiency requirements and ship size developments. From the eight scenarios developed, two extremes were chosen for impact studies which illustrate the differences between a very high EGCS usage and a future without the need for EGCS while still compliant to IMO initial GHG strategy. The scenario without EGCS leads to 50% reduction of GHG emissions using low sulfur fuels, LNG, and methanol. For the high EGCS adoption scenario in 2050, about a third of the fleet sailing the studied sea areas would use EGCS and effluent discharge volumes would be increased tenfold for the Baltic Sea and hundredfold for the Mediterranean Sea when compared to 2018 baseline discharges. Some of the tested species, mainly the copepods, have a central position in pelagic food webs as they feed on phytoplankton and are themselves the main staple food for most fish larvae and for some species of adult fish, e.g., herring. The direct effect of the EGSE on invertebrates will therefore have an important indirect effect on the fish feeding on them. Effects are greatest in and near shipping lanes. Many important shipping lanes run close to shore and archipelago areas, and this also puts the sensitive shallow water coastal ecosystems at risk. It should be noted that no studies on sub-lethal effects of early 19 life stages in fish were included in the EMERGE project, nor are there any available data on this in the scientific literature. The direct toxic effects on fish at the expected concentrations of EGCS effluent are therefore largely unknown. According to the regional modelling studies, some of the contaminants will end up in sediments along the coastlines and archipelagos. The documentation of the complex chemical composition of EGCS effluent is in sharp contrast to the present legislation on threshold levels for content in EGCS effluent discharged from ships, which includes but a few PAHs, pH, and turbidity. Traditional assessments of PAHs in environmental and marine samples focus only on the U.S. Environmental Protection Agency (EPA) list of 16 priority PAHs, which includes only parent PAHs. Considering the complex PAHs assemblages and the importance of other related compounds, it is important to extend the EPA list to include alkyl-PAHs to obtain a representative monitoring of EGCS effluent and to assess the impact of its discharges into the marine environment. An economic evaluation of the installation and operational costs of EGCS was conducted noting the historical fuel price differences of high and low sulfur fuels. Equipment types, installation dates and annual fuel consumption from global simulations indicated that 51% of the global EGCS fleet had already reached break-even by the end of 2022, resulting in a summarised profit of 4.7 billion €2019. Within five years after the initial installation, more than 95% of the ships with open loop EGCS reach break-even. The pollutant loads from shipping come both through atmospheric deposition and direct discharges. This underlines the need of minimising the release of contaminants by using fuels which reduce the air emissions of harmful components without creating new pollution loads through discharges. Continued use of EGCS and high sulfur fossil fuels will delay the transition to more sustainable options. The investments made on EGCS enable ships to continue using fossil fuels instead of transitioning away from them as soon as possible as agreed in the 2023 Dubai Climate Change conference. Continued carriage of residual fuels also increases the risk of dire environmental consequences whenever accidental releases of oil to the sea occur.

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