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The retention behaviour of several gaseous fluorinated greenhouse gases on carbon-based adsorbents is presented. Retention, calculated on the basis of compound breakthrough volume (BTV), is dependent on the molecular composition of the adsorbate, with compounds possessing chlorine or polarizable hydrogens being better retained than those possessing higher fluorine content. Of the adsorbents tested the carbon molecular sieves (CMSs) of highest surface area show greater retention than those with lower area. Retention of fluorocarbons is generally higher on activated charcoals but this adsorbent type can cause irreversible retention, possible degradation and is more difficult to use practically due to its heterogeneous composition. These breakthrough volume results can be used to determine the best combination and quantities of each adsorbent that can be used within a preconcentration device with a view to developing an analytical system for the determination of fluorocarbon gases in low concentration air samples. 相似文献
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The Mellin transform and Poisson summation formula are used to derive an expression for the Coulomb interaction energy of a three-dimensional system with periodicity in one direction. Initially, calculations are performed for interactions characterized by any inverse power and, using the analytical continuation of the energy function, one obtains the final expression for the interaction energy of charges. We consider also a special case when two different charges are located on a line parallel to the periodicity direction. The energy and force expressions are identical to those obtained from the Lekner summation which is simply a sum over reciprocal lattice terms. The convergence behaviour of the Lekner summation is compared with that based on the Ewald type approach. 相似文献
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A. BRÓDKA 《Molecular physics》2013,111(21):3177-3180
The Ewald-type method, its modified version and the Lekner-type method for summing Coulomb interactions in a system periodic along one direction are presented and compared. Advantages and disadvantages of these methods are discussed, and the methods are tested in molecular dynamics simulations of acetone molecules confined to cylindrical silica pores. 相似文献
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The integral representation of the gamma function and the Poisson summation formula are used to calculate the interaction energy of charged particles in a 3-dimensional system periodic in two directions. A parallelogram shape simulation box is considered. Calculations are carried out for interactions described by any inverse power, and analytical continuation of the energy function leads to the final expression for the Coulomb interaction energy. Summation over the simulation box replica along one or the other side of the box base is replaced by summation in reciprocal space. Therefore there are two equivalent formulas for the potential energy that offer the possibility of avoiding slowly convergent series. The energy expressions are identical to those obtained from the Lekner method. The special case is considered where the functions defining the energy are infinite, i.e. when two charges lie on a line parallel to the simulation box side that was chosen to convert real space summation into reciprocal space. 相似文献
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Brian R. Greally Graham Nickless Peter G. Simmonds Michael Woodward Jaap de Zeeuw 《Journal of chromatography. A》1998,810(1-2):119-130
A new type of capillary porous-layer open tubular (PLOT) column consisting of a hydrophobic silica layer on a fused-silica capillary has been tested for the separation of a mixture of environmentally sensitive halocarbons present in tropospheric air. The column shows high retention for a wide range of halocarbons, with elution orders following both boiling point order and hydrogen bonding capability. The resolution of the halocarbons is good and only one pair of halocarbons [CHFClCF3 (HCFC 124) and CH3CF2Cl (HCFC 142b)] cannot be resolved on this column type at all column temperature profiles. Unlike alumina PLOT columns, the silica PLOT column does not dehydrohalogenate labile halocarbons. Excellent reproducibility of retention times and peak areas for halocarbons on the column are reported. 相似文献
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