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In this work, a simple, fast and reproducible method is presented for the determination of fibre/liquid-phase and fibre/gas-phase
partition coefficients of five chlorinated ethenes on a poly-(dimethylsiloxane), PDMS-coated, solid-phase microextraction
fibre, by employing a headspace HS-SPME coupled with gas chromatography. The partition coefficients were estimated by a numerical
method using a Level-I fugacity method coupled with parameter-estimation software. Dimensionless partition coefficients between
SPME fibre and liquid as well as gas phases were obtained at temperatures of 10 °C, 25 °C and 30 °C. The partition coefficients
of the fibre and the gas phase, K
fg, increase with decreasing temperature by a factor of ≈2 to 6, and they are directly proportional to the linear slope of the
regression line. The same tendency is observed for the partition coefficient of the fibre and liquid phase, K
fw, in a factor ≈1.2 to 2.0. The sorption enthalpy is higher in the gas phase; therefore, the sorption onto the fibre is favoured
at lower temperatures. The correlation of the log K
ow versus log K
fw and log K
oa versus log K
fg shows a linear relationship with the number of chlorine atoms in the C = C molecule. Long-term experiments resulted in sorption
to Teflon surfaces and possible losses in 43 mL vials, not observed in 250 mL Boston bottles. 相似文献
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Jong Ho Kim Byoung Kyu Kwak Chee Burm Shin Won Jin Jeon Hyeon-Soo Park Kyunghee Choi Jongheop Yi 《Applied Mathematical Modelling》2010
A spatial distribution multimedia fate model is proposed for the rigorous simulation of the environmental multimedia fate of hazardous chemicals emitted from a variety of sources. To solve the relevant equation, we introduce an explicit finite difference method applied to uniform grids. We assessed the numerical properties of the model, including stability and accuracy. A new dimensionless number (multimedia transport number) is proposed for determining the numerical stability of the unsteady-state method. The model was verified by comparison with analytical solutions for the transport of non-conservative substances in two-phase open-channel flow. The spatial resolution of the spatial distribution model was tested via a comparison with a general multimedia fate model in a practical application related to toluene emissions in Seoul, South Korea. 相似文献
3.
Xiao-Sen Li Yu Zhang Gang Li Zhao-Yang Chen Ke-Feng Yan Qing-Ping Li 《The Journal of chemical thermodynamics》2008,40(9):1464-1474
We employ two thermodynamic approaches, based on the equal fugacities and the equal activities, to predict the gas hydrate equilibrium dissociation conditions in the porous media. The predictions are made for the hydrate systems, CH4/H2O, C2H6/H2O, C3H8/H2O, CO2/H2O, CH4/CO2/H2O, C3H8/CH4/C2H6/H2O, and CH4/CH3OH/H2O. For the non-hydrate phase, we used the Trebble–Bishnoi equation in the fugacity approach and the Soave–Redlich–Kwong equation in the activity approach. For the hydrate phase, the van der Waals–Platteeuw model incorporated with the capillary model of Llamedo et al. [M. Llamedo, R. Anderson, B. Tohidi, Am. Mineral. 89 (2004) 1264–1270] was used in the two approaches. The predictions are found to be in satisfactory to good agreement with the experimental data. The predictive ability of the fugacity approach is better than that of the activity approach. 相似文献
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Modeling the solubilities of fatty acids is important because these compounds are used in various industries. In this work, a thermodynamic model based on Redlich–Kwong equation of state with Kwak–Mansoori mixing rules was used to model the solubilities of fatty acids in supercritical carbon dioxide. The model uses only one adjustable parameter and this parameter varies linearly with the chain length of the fatty acid. Therefore, this model can be potentially used to predict the solubilities of various fatty acids in supercritical carbon dioxide. 相似文献
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Equations of state that are based on the lattice-statistics approach use Guggenheim's quasi-chemical approximation to describe the non-randomness in the mixture due to the energetic interactions between the molecules. For ternary and higher-component systems the non-randomness expression is complex and requires an iterative calculation procedure. We have shown that the non-randomness parameters play a negligible role in the application of the GCLF-EoS model (based on the Panayiotou–Vera EoS) for predicting vapor–liquid equilibria. Omission of the non-randomness parameters from such calculations can significantly improve the computation efficiency. Binary, ternary, and quaternary vapor–liquid equilibria predictions were made including polystyrene, polyvinyl acetate, polyethylene, and polypropylene in polar and non-polar solvents to test the theory. 相似文献
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Erek Bilgici Julia Danzer Christof Gattringer C.B. Lang Ludovit Liptak 《Physics letters. [Part B]》2011
We analyze canonical fermion determinants, i.e., fermion determinants projected to a fixed quark number q . The canonical determinants are computed using a dimensional reduction formula and are studied for pure SU(3) gauge configurations in a wide range of temperatures. It is demonstrated that the center sectors of the Polyakov loop very strongly manifest themselves in the behavior of the canonical determinants in the deconfined phase, and we discuss physical implications of this finding. Furthermore the distribution of the quark sectors is studied as a function of the temperature. 相似文献
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