Validation of spectral gas radiation models under oxyfuel conditions. Part A: Gas cell experiments

Combustion of hydrocarbon fuels with pure oxygen results in a different flue gas composition as combustion with air. Standard CFD spectral gas radiation models for air combustion are out of their validity range. The series of three articles provides a common spectral basis for the validation of new developed models. In part A of the series gas cell transmissivity spectra in the spectral range of 2.4–5.4 μm of water vapor and carbon dioxide in the temperature range from 727 to 1500 ° C and at different concentrations were compared at a nominal resolution of 32 cm^?1 to line-by-line models from different databases, two statistical-narrow-band models and the exponential wide band model. The two statistical-narrow-band models EM2C and RADCAL showed a good agreement with a maximal band transmissivity deviation of 3%. The exponential-wide-band model showed a deviation of 6%. The new line-by-line database HITEMP2010 had the lowest band transmissivity deviation of 2.2% and was recommended as a reference model for the validation of simplified CFD models.     

The stereochemistry of 1,2,5,6,9,10-hexabromocyclododecane and its graphic representation

1,2,5,6,9,10-Hexabromocyclododecane, a widely used additive flame retardant, is produced by bromination of cis,trans,trans-cyclododeca-1,5,9-triene, resulting in a mixture of three enantiomeric pairs of diastereomers. We present here the correct configuration and graphic representation of the six isomers. Recently, the complete separation of all six isomers has been achieved using chiral liquid chromatography.     

Stabilization of the initial electrochemical potential for a metal-based potentiometric titration study of a biosorption process

An interactive metal-based potentiometric titration method has been developed using an ion selective electrode for studying the sorption of metal cations. The accuracy of this technique was verified by analyzing the metal sorption mechanism for the biomass of Rhizopus arrhizus fungus and diatomite, two dissimilar materials (organic and mineral, strong sorbent and weak sorbent) of a different order of cation exchange capacity. The problem of the initial electrochemical potential was addressed identifying the usefulness of a Na-sulfonic resin as a strong chelating agent applied before the beginning of sorption titration experiments so that the titration curves and the sorption uptake could be quantitatively compared. The resin stabilized the initial electrochemical potential to -405+/-5 mV corresponding to 2 micro gl(-1) of lead concentration in solution. The amounts of lead sorbed by R. arrhizus biomass and diatomite were 0.9 mmol g(-1) (C(e)=5.16 x 10(-2)mM) and 0.052 mmol g(-1) (C(e)=5.97 x 10(-2) mM), respectively. Lead sorption by the fungal biomass was pinpointed to at least two types of chemical active sites. The first type was distinguished by high reactivity and a low number of sites whereas the other was characterized by their higher number and lower reactivity.     

Comparing electron ionization high-resolution and electron capture low-resolution mass spectrometric determination of polybrominated diphenyl ethers in plasma, serum and milk

Gas chromatography coupled to low-resolution mass spectrometry with electron capture negative ionization as detection mode (GC-LRMS (ECNI)) has been compared to gas chromatography coupled to high-resolution mass spectrometry using electron ionization as detection mode (GC-HRMS (EI)) for determination of polybrominated diphenyl ethers (PBDEs) in biological samples. Extracts of 5.0 g plasma, serum and milk samples were analyzed using both methods. The GC-LRMS (ECNI) and GC-HRMS (EI) systems were found to be equally well suited for determination of PBDEs in the biological samples, as well as in standard solutions, with respect to response, detection limits and repeatability at the pg-level. The estimated limits of detection (LOD) in milk extracts ranged from 0.3-0.6 pg PBDE/g milk and 0.4-0.7 pg PBDE/g milk, for the GC-LRMS (ECNI) and GC-HRMS (EI) systems, respectively. The method repeatability including sample preparation was in the range 4.7-8.4% and 0.6-10% relative standard deviation (RSD) for the GC-LRMS (ECNI) and GC-HRMS (EI) systems, respectively.