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Species Profiles (species + profile)

Distribution by Scientific Domains
Chemistry100%

Selected Abstracts

Observation of different ceramide species from crude cellular extracts by normal-phase high-performance liquid chromatography coupled to atmospheric pressure chemical ionization mass spectrometry

RAPID COMMUNICATIONS IN MASS SPECTROMETRY, Issue 11 2003
Benjamin J. Pettus
Normal-phase high-performance liquid chromatography (NP-HPLC) coupled to atmospheric pressure chemical ionization mass spectrometry (APCI-MS) allows qualitative analysis of endogenous ceramide and dihydroceramide species from crude lipid extracts utilizing chromatographic methods readily adaptable from commonly used thin layer chromatography (TLC) conditions. Qualitative information for the species comes from observation of differences in chromatographic and mass spectrometric behavior between species. Application to the analysis of ceramide and dihydroceramide from various cell lines is demonstrated. The results show the species profile in each cell line to be unique despite growth under identical conditions. The results from APCI-MS analysis corroborate and enhance information acquired from use of the diacylglycerol kinase assay for total ceramide measurement. This technique readily allows the previously difficult distinction between ceramide and dihydroceramide species. Copyright © 2003 John Wiley & Sons, Ltd. [source]

A high-temperature chemical kinetic model for primary reference fuels

INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, Issue 7 2007
Marcos Chaos
A chemical kinetic mechanism has been developed to describe the high-temperature oxidation and pyrolysis of n -heptane, iso -octane, and their mixtures. An approach previously developed by this laboratory was used here to partially reduce the mechanism while maintaining a desired level of detailed reaction information. The relevant mechanism involves 107 species undergoing 723 reactions and has been validated against an extensive set of experimental data gathered from the literature that includes shock tube ignition delay measurements, premixed laminar-burning velocities, variable pressure flow reactor, and jet-stirred reactor species profiles. The modeled experiments treat dynamic systems with pressures up to 15 atm, temperatures above 950 K, and equivalence ratios less than approximately 2.5. Given the stringent and comprehensive set of experimental conditions against which the model is tested, remarkably good agreement is obtained between experimental and model results. © 2007 Wiley Periodicals, Inc. Int J Chem Kinet 39: 399,414, 2007 [source]

Automatic characterization of ignition processes with machine learning clustering techniques

INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, Issue 10 2006
Edward S. Blurock
Machine learning clustering techniques are used to characterize and, after the training phase, to identify phases within an ignition process. For the ethanol mechanism used in this paper, four physically identifiable phases were found and characterized: the initiation phase, preignition phase, ignition phase, and the postignition phase. The clustering is done with respect to fuzzy logic predicates identifying the maxima, minima, and inflection points of the species profiles. The cluster descriptions characterize the phases found and are in human interpretable form. In addition, these descriptions are powerful enough to be used to predict the phase structure under new conditions. Cluster phases were calculated for the ethanol mechanism at an equivalence ratio of 0.5, a pressure of 3.3 bar, and the temperatures 1200, 1300, 1400, and 1500 K. The resulting cluster phase descriptions were then successfully used to predict the phase structure and ignition delay times for other temperatures in the range from 1200 to 1500 K. The effect of different fuzzy logic predicate profile descriptions is studied to emphasize that the boundaries of some phases, specifically that between the preignition and the ignition phase, are a matter of what the modeler considers important. The end of the ignition phase corresponds to the ignition delay time and was relatively independent of the predicate descriptions used to determine the phases. © 2006 Wiley Periodicals, Inc. Int J Chem Kinet 38: 621,633, 2006 [source]

Development and testing of a comprehensive chemical mechanism for the oxidation of methane

INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, Issue 9 2001
K. J. Hughes
A comprehensive chemical mechanism to describe the oxidation of methane has been developed, consisting of 351 irreversible reactions of 37 species. The mechanism also accounts for the oxidation kinetics of hydrogen, carbon monoxide, ethane, and ethene in flames and homogeneous ignition systems in a wide concentration range. It has been tested against a variety of experimental measurements of laminar flame velocities, laminar flame species profiles, and ignition delay times. The highest sensitivity reactions of the mechanism are discussed in detail and compared with the same reactions in the GRI, Chevalier, and Konnov mechanisms. Similarities and differences of the four mechanisms are discussed. The mechanism is available on the Internet as a fully documented CHEMKIN data file at the address http://www.chem.leeds.ac.uk/Combustion/Combustion.html. © 2001 John Wiley & Sons, Inc. Int J Chem Kinet 33: 513,538, 2001 [source]

Rapid lightoff of syngas production from methane: A transient product analysis

AICHE JOURNAL, Issue 1 2005
Kenneth A. Williams
Abstract Steady-state production of syngas (CO and H2) can be attained within 10 s from room-temperature mixtures of methane and air fed to a short-contact-time reactor by initially operating at combustion stoichiometry (CH4/O2 = 0.5) and then quickly switching to syngas stoichiometry (CH4/O2 = 2.0). The methane/air mixture is first ignited, forming a premixed flame upstream of the catalyst that heats the Rh-impregnated ,-alumina foam monolith to catalytic lightoff (T > 500°C) in a few seconds. The methane/oxygen ratio is then increased to partial oxidation stoichiometry, which extinguishes the flame and effects immediate autothermal syngas production. Transient species profiles are measured with a rapid-response mass spectrometer (response time constant , 0.5 s), and catalyst temperature is measured with a thermocouple at the catalyst back face. Because the monolith thermal response time (, 1 s) is several orders of magnitude larger than the reaction timescales (, 10,12 to 10,3 s), chemistry and flow should be mathematically decoupled from local transient variations in catalyst temperature. Using this assumption, a transient temperature profile is combined with detailed surface chemistry for methane on Rh in a numerical plug-flow model. This approach accurately reproduces the transient species profiles measured during experimental lightoff for short combustion time experiments and lends insight into how the monolith temperature develops with time. The combined experimental and numerical efforts supply useful information on the transient reactor behavior for various combustion times and identify a combustion time to avoid undershoot or overshoot in catalyst temperature and minimize start-up time. © 2004 American Institute of Chemical Engineers AIChE J, 51: 247,260, 2005 [source]