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11.
We present here a tractable theory of transport of simple fluids in cylindrical nanopores, which is applicable over a wide range of densities and pore sizes. In the Henry law low-density region the theory considers the trajectories of molecules oscillating between diffuse wall collisions, while at higher densities beyond this region the contribution from viscous flow becomes significant and is included through our recent approach utilizing a local average density model. The model is validated by means of equilibrium as well nonequilibrium molecular dynamics simulations of supercritical methane transport in cylindrical silica pores over a wide range of temperature, density, and pore size. The model for the Henry law region is exact and found to yield an excellent match with simulations at all conditions, including the single-file region of very small pore size where it is shown to provide the density-independent collective transport coefficient. It is also shown that in the absence of dispersive interactions the model reduces to the classical Knudsen result, but in the presence of such interactions the latter model drastically overpredicts the transport coefficient. For larger micropores beyond the single-file region the transport coefficient is reduced at high density because of intermolecular interactions and hindrance to particle crossings leading to a large decrease in surface slip that is not well represented by the model. However, for mesopores the transport coefficient increases monotonically with density, over the range studied, and is very well predicted by the theory, though at very high density the contribution from surface slip is slightly overpredicted. It is also seen that the concept of activated diffusion, commonly associated with diffusion in small pores, is fundamentally invalid for smooth pores, and the apparent activation energy is not simply related to the minimum pore potential or the adsorption energy as generally assumed. 相似文献
12.
We study the effect of hard-core repulsion (known as the bus effect) betweenB particles on the reaction-diffusion systemA+BB in the continuous-time random walk model in one dimension with theA particles stationary. We show rigorously that the survival probability of theA particles is asymptotically bounded asC
1lim
t{[–logS(t)]/t
0.5}C
2, whereC
1 andC
2 are constants. We also do simulations to confirm our results. 相似文献
13.
Adamovich MI Aggarwal MM Alexandrov YA Andreeva NP Anson ZV Arora R Avetyan FA Badyal SK Basova E Bazarov IK Bhalla KB Bhasin A Bhatia VS Bogdanov VG Bubnov VI Burnett TH Cai X Carshiev DA Chasnicov IY Chernova LP Chernyavski MM Eligbaeva GZ Eremenko LE Gaitinov AS Ganssauge ER Garpman S Gerassimov SG Grote JG Gulamov KG Gupta SK Gupta VK Heckman HH Huang H Jacobsson B Judek B Kachroo S Kalyachkina GS Kanygina EK Karabova M Kharlamov SP Kitroo S Koss T Krasnov SA Kumar V Lal P Larionova VG 《Physical review D: Particles and fields》1993,47(9):3726-3732
14.
Summary The purple violet ruthenium(III)-diphenylcarbazone complex which is formed at p
h
5–7, and has an absorption maximum at 530 nm with molar absorption coefficient 16.2·104l.cm–1.mole–1 is suggested for the estimation of 20–125g ruthenium(III) spectrophotometrically in 30–60% ethanol. The complex is stable over p
h
range 3.2–8.4. The limits of interference due to foreign ions have been studied.
Zusammenfassung Der bei p h 5 bis7 entstehende Ruthenium(III)-Diphenylcarbazon-Komplex hat ein Absorptionsmaximum bei 530 nm und einen Absorptionskoeffizienten von 16,2·104 l.cm–1.Mol–1. Die spektrophotometrische Bestimmung von 20 bis 125g Ruthenium(III) in 30 bis 60%igem Äthanol mit Hilfe dieses zwischen p h 3,2 und 8,4 beständigen Komplexes wurde vorgeschlagen. Die Störung durch Fremdionen wurde geprüft.相似文献
15.
Summary The absorption spectra (in the visible and ultraviolet) of the complexes formed in absolute methanol between Zr4+, V4+, Y3+ and Sb3+ with 3-hydroxyflavone, apigenin, hesperidin, naringenin, morin, kaempferol, quercetin, rutin and myricetin have been studied. Zr4+ and Sb3+ form complexes that are stable in acid medium. The stoichiometry of the vairous Zr4+-flavonoid complexes formed in methanol and methanol/HClO4 media has been determined by the molar ratio method. The preferred sites for complex formation of flavonoids with Zr4+ are postulated. Zr4+ forms chelates with the 3-hydroxy-4-keto and 5-hydroxy-4-keto systems simultaneously. Sb3+ forms complexes only with the 3,5-dihydroxy system in flavonoids. The results permit estimation of the relative order of chelating power of each type of binding site and are useful in elucidation of the structure of the flavonoids.
Verwendung von Zirkonium(III) und Antimon(III) für die Erforschung der Flavonoide
Zusammenfassung Die Absorptions-Spektren (im sichtbaren und UV-Bereich) der in absolutem Methanol hergestellten Komplexe von Zr4+, V4+, Y3+ und Sb3+ mit 3-Hydroxyflavon, Apigenin, Hesperidin, Naringenin, Morin, Kaempferol, Quercetin, Rutin und Myricetin wurden untersucht. Zr4+ und Sb3+ bilden in saurem Milieu beständige Komplexe. Die Stöchiometrie der verschiedenen Zr4+-Flavonoid-Komplexe, die in Methanol bzw. Methanol/ HClO4 hergestellt wurden, wurde durch Bestimmung der Molarverhältnisse ermittelt. Die für die Komplexbildung bevorzugten Stellen (im Molekül) wurden angegeben. Zr4+ bildet Chelate mit der 3-Hydroxy-4-keto- und mit der 5-Hydroxy~4-ketogruppe. Sb3+ bildet solche Komplexe nur mit der 3,5-Dihydroxy-4-keto-Gruppe in Flavonoiden. Die Untersuchungsergebnisse ermöglichen die Abschätzung der Komplexbildungsfähigkeit der verschiedenen Gruppierungen und sind für die Strukturaufklärung von Nutzen.相似文献
16.
Bhatia SK Tran K Nguyen TX Nicholson D 《Langmuir : the ACS journal of surfaces and colloids》2004,20(22):9612-9620
We present new simulation results for the packing of single-center and three-center models of carbon dioxide at high pressure in carbon slit pores. The former shows a series of packing transitions that are well described by our density functional theory model developed earlier. In contrast, these transitions are absent for the three-center model. Analysis of the simulation results shows that alternations of flat-lying molecules and rotated molecules can occur as the pore width is increased. The presence or absence of quadrupoles has negligible effect on these high-density structures. 相似文献
17.
Ditzler WR Hill D Hoftiezer J Johnson KF Lopiano D Shima T Shimizu H Spinka H Stanek R Underwood D Wagner RG Yokosawa A Burleson GR Faucett JA Fontenla CA Garnett RW Luchini C Rawool-Sullivan MW Bhatia TS Glass G Hiebert JC Kenefick RA Nath S Northcliffe LC Damjanovich R Jarmer JJ Vaninetti J Jeppesen RH Tripard GE 《Physical review D: Particles and fields》1992,46(7):2792-2830
18.
Erika Fiset Jun-Seok Bae Thomas E Rufford Suresh Bhatia Gao Qing Lu Denisa Hulicova-Jurcakova 《Journal of Solid State Electrochemistry》2014,18(3):703-711
High surface area silicon carbide-derived carbons (Si-CDCs) synthesized by chlorination of beta silicon carbide (βSiC) with two different particle sizes (6 μm and 50 nm) show different porosities with graphitic structure. Transmission electron microscopy, Raman spectroscopy and argon (Ar) and carbon dioxide (CO2) sorption analyses are used to examine the textural properties of the Si-CDCs. The results show that the particle size of the precursor affects the surface area and porosity of carbons. Furthermore, an additional heat treatment of the Si-CDC with 50-nm particle size for 24 h at 1,000 °C results in a collapse of the pore structure and reduces the surface area. The capacitive behaviours are investigated in H2SO4 and in tetraethyl ammonium tetrafluoroborate (TEABF4)/acetonitrile (AN). The electrochemical performance of the Si-CDCs is influenced by the particle size, surface area, pore volume and pore size distribution. The Si-CDCs exhibit capacitances in 1 M H2SO4 of up to 179 F g?1 and very stable charge–discharge performance over 5,000 cycles. This study shows the crucial importance of ultramicropores less than 1 nm combined with nanosized particles for achieving high capacitance in aqueous electrolyte. Moreover, the graphitic degree at the surface of the Si-CDCs enhances considerably the rate capability and stability in both electrolytes. 相似文献
19.
Anand Kumar Chaudhari Vipin Kumar Singh Abhishek Kumar Dwivedy Somenath Das Neha Upadhyay Akanksha Singh 《Natural product research》2020,34(5):745-749
AbstractThe chemical characterisation of Pimenta dioica essential oil (PDEO) revealed the presence of 50 components, amongst which α-Terpineol (30.31%) was the major component followed by β-Linalool (6.75%) and γ-Terpinene (4.64%). The oil completely inhibited the growth of aflatoxin B1 secreting strain Aspergillus flavus LHP-VS-8 and aflatoxin B1 production at 2.5?µL/mL and 1.5?µL/mL, respectively. The oil caused dose dependent reduction of methylglyoxal (an AFB1 inducer), enhanced leakage of Ca2+, Mg2+ and K+ ions and significantly reduced ergosterol content of fungal plasma membrane. During in situ experiments, PDEO exhibited complete protection of fumigated maize cob slices from fungal infestation without affecting seed germination. The chemically characterised PDEO is recommended as a plant based preservative and shelf life enhancer of food commodities by preventing fungal growth, AFB1 production and lipid peroxidation. This is the first report on PDEO as inhibitor of AFB1 secretion and methylglyoxal biosynthesis. 相似文献
20.