Water disinfection tanks such as chlorine and ozone contactors typically consist of multiple compartments featuring a serpentine flow pattern. Due to the complex hydrodynamics, the design and optimization of these tanks are often carried out by employing computational fluid dynamics (CFD) simulations. The present study demonstrates the influence of certain modeling aspects when the widely used Reynolds-Averaged Navier Stokes (RANS) based CFD approach to predict hydrodynamics and disinfection performance is employed. Three different contact tank geometries are examined numerically using RANS. The time-averaged velocity predictions are reasonably accurate when compared to validation data. However, in baffled contact tanks, the time-averaged flow differs quite significantly from the instantaneous flow, with the consequence that RANS-based models require careful calibration of the turbulent mixing parameter, i.e., the turbulent Schmidt number, when computing transport of solutes. 相似文献
The properties of several cinnamic acid compounds used as matrices for matrix-assisted laser desorption ionization time-of-flight
mass spectrometry (MALDI-TOF MS) were investigated as standard dried droplet (DD) and vacuum sublimed preparations. The differences
between both preparation methods were analyzed with regard to matrix grain size, internal ion energy, initial velocity, analyte
intensity, and analyte incorporation depth. Some of the used cinnamic acid derivatives exhibit clearly reduced grain sizes
as sublimed preparations compared with standard DD approaches. In these cases higher effective temperatures could be measured
accompanied by increased analyte intensities, which can be explained by stronger volatilization processes caused by a hindered
heat dissipation resulting in a raised analyte transfer into the gas phase. For all sublimed compounds, a strong increase
of the initial ion velocity compared with DD preparations could be measured. Higher initial ion velocities correlate with
a decrease in internal ion energy which might be attributed to the very uniform crystal morphology exhibited by sublimed compounds.
For sublimed matrices without reduced grain size, at least slightly higher analyte intensities could be detected at raised
laser fluences. Analyte accumulation in the uppermost matrix layers or the detected higher ion stability can be explanations
for these results. 相似文献
The reactions of the mass-selected gas-phase gold cluster cations Au3+ and Au5+ with H2O, CH3Cl, and mixtures of these reactants were studied under well-defined multi-collision conditions in an octopole ion trap. The reaction of CH3Cl with the gold cations was found to proceed fast at room temperature, leading to the adsorption of one CH3Cl molecule at each ‘corner’ atom of the cluster ion. This strong adsorption hindered the coadsorption of other reactants like H2O. However, a considerable reduction of the CH3Cl partial pressure led to distinct patterns of H2O/CH3Cl coadsorption products. Furthermore, the mass spectra indicated the loss of hydrogen after the reaction of CH3Cl with Au3+. 相似文献
A new polarizing agent with superior performance in dynamic nuclear polarization experiments is introduced, and utilizes two TEMPO (2,2,6,6‐tetramethylpiperidine‐1‐oxyl) moieties connected through a rigid spiro tether (see structure). The observed NMR signal intensities were enhanced by a factor of 1.4 compared to those of TOTAPOL, a previously described TEMPO‐based biradical with a flexible tether.
The stereogenic centers at C3 and C12 of meloscine ( 3 ) can be established in the photochemical key step 1 → 2 . 1,2‐retro‐Benzilic acid rearrangement to a five‐membered ring, reductive amination, Claisen rearrangement, and ring‐closing metathesis are further key steps in the transformation of cyclobutane 2 into the target molecule 3 (14 steps, 9 % overall yield). Enantioselective access to (+)‐meloscine was possible when the [2+2]‐photocycloaddition was conducted in the presence of a chiral template.
Hydroxyethylamine-containing peptides can be sequenced by automated Edman degradation to provide sequence information for peptide segments on either side of the peptide backbone modification. [reaction: see text] 相似文献
"Electronic noses", i.e. arrays of differently coated quartz microbalances (QMB), have been used for selective detection of, and discrimination between, volatile organic compounds (VOC) formed during the post-harvest ripening of apples. The flavor components to be differentiated are chemically rather similar carbonyl compounds, chiefly aldehydes and esters. Because their relative ratios change during the post-harvest ripening period, appropriately selected sensor-active layers lead to characteristic patterns of the sensor responses which can be analyzed via pattern-recognition methods. This enables qualitative and quantitative identification of individual components whereby the post-harvest ripening of apples and other fruits can be monitored. Different kinds of apple differ in type and concentration of individual carbonyl compounds. 相似文献
Commercial vegetable tanning agents that are derived from plants and consist of condensed or hydrolyzable tannins were analyzed by electrospray ionization–tandem mass spectrometry (ESI–MS/MS) to identify their major constituents and to study their collision-induced dissociation. In the condensed tannin wattle a series of proanthocyanidin dimers to tetramers was identified together with the flavonoid monomers catechin and gallocatechin. The composition of the hydrolyzable tannin chestnut was more heterogenous. Besides the monomers ellagic and gallic acid a variety of gallotannins were detected, namely mono-, di- and trigalloylglucose, and a variety of ellagitannins. Reversed-phase HPLC–ESI–MS/MS methods were developed to detect condensed and hydrolyzable tannins in tannery wastewaters by multiple reaction monitoring (MRM). The methods proved suitable even for highly loaded wastewaters. However, the detected amount of wattle tanning agent in spent retanning baths was about two orders of magnitude below the amount used for the retanning. This suggests that the condensed tannins of polyphenolic structure are rapidly transformed during the tanning process to yet unknown products. 相似文献