Measurements made at a rural site in central Ontario during May-June 2007 are used to investigate the composition of organic aerosol (OA) downwind of an urban region. Observations of aerosol organic carbon and oxygen containing fragments from a high-resolution time-of-flight aerosol mass spectrometer (HR-ToF-AMS) are combined with toluene to benzene ratios to estimate the relative importance of secondary organic aerosol (SOA) and primary organic aerosol (POA) to the total OA at the site during periods of significant urban influence. We estimate that SOA formed within 1-2 days of the anthropogenic source regions was 40-50% of the measured OA and that POA was 5-16% of the OA. The remaining 35-45% of the OA is assumed to have been present in the aerosol upwind of the source regions prior to entering the study domain as defined by trajectories and estimates of the potential photochemical aging time. The apportionment results were also compared to that of positive matrix factorization analysis. In addition, the measurements of the molar oxygen to carbon ratio (O/C) in the OA demonstrates that SOA becomes progressively more oxygenated with increasing photochemical age and at low total OA mass.
Discotic liquid crystal (LC) molecules readily form columnar supramolecular structures. Because of molecular mobility in the LC state these columnar assemblies can self-heal structural defects to a certain extent. Therefore, conjugated aromatic molecules of the discotic LC state may exhibit exceptional charge carrier transport properties, and thus are potential active materials for use in optoelectronic devices. In this review, a number of discotic LC materials including benzene, triphenylene, hexabenzocoronene, perylene, and phthalocyanine derivatives are reviewed. The emphases are on the correlation between chemical structure and LC properties and some recent developments in the application of these materials in optoelectronic devices such as organic light-emitting diodes (OLED), organic field-effect transistors (OFET), and photovoltaic cells. In addition, studies related to the dynamics of some discotic LC materials are briefly discussed.
In this paper, a modified projection method is combined with a self-adaptive time step procedure to develop numerical scheme for large eddy simulation (LES) of low Ma number turbulent reactive flows. The projection method introduced by Chorin is modified in this study to satisfy the simulation requirement of low Ma number reactive flow. The time step in this computation is automatically determined according to the time scales of both chemical reaction and turbulent fluctuations. This enables the simulation to capture detailed flow structures with less computational time. Numerical simulation of methane-air jet flames is carried out as an example to validate the developed numerical scheme. The mechanism of a simplified 4-step chemical kinetics is applied for the methane-air reaction. The dynamic model is adopted for the turbulent motion of sub-grid scale (SGS). The dynamic similarity model is used as the SGS model for the reaction rate. The LES results satisfactorily depict the ignition process of the turbulent jet flames and illustrate lucid and detailed coherent structures of the fully developed turbulent reactive jet flow. The LES results also exhibit the mechanism and characteristics of local extinction. The method developed in this study provides an effective way to capture more flow details with less computational time. In addition the method also helps one to investigate the mechanism of ignition and local extinction in jet flames. Copyright (C) 2008 John Wiley & Sons, Ltd.
In this paper, a modified projection method is combined with a self-adaptive time step procedure to develop numerical scheme for large eddy simulation (LES) of low Ma number turbulent reactive flows. The projection method introduced by Chorin is modified in this study to satisfy the simulation requirement of low Ma number reactive flow. The time step in this computation is automatically determined according to the time scales of both chemical reaction and turbulent fluctuations. This enables the simulation to capture detailed flow structures with less computational time. Numerical simulation of methane-air jet flames is carried out as an example to validate the developed numerical scheme. The mechanism of a simplified 4-step chemical kinetics is applied for the methane-air reaction. The dynamic model is adopted for the turbulent motion of sub-grid scale (SGS). The dynamic similarity model is used as the SGS model for the reaction rate. The LES results satisfactorily depict the ignition process of the turbulent jet flames and illustrate lucid and detailed coherent structures of the fully developed turbulent reactive jet flow. The LES results also exhibit the mechanism and characteristics of local extinction. The method developed in this study provides an effective way to capture more flow details with less computational time. In addition the method also helps one to investigate the mechanism of ignition and local extinction in jet flames. Copyright (C) 2008 John Wiley & Sons, Ltd.