Ethylbenzene molecular volume

Alternatively, air drawn through a cartridge packed with either Tenax (1 g) or carbon molecular sieve (0.5 g) cartridge heated at 350°C under helium purge analyte transported to the front of a precooled GC column, temperature programmed ethylbenzene determined on a PID, FID, or a mass spectrometer recommended air flow rate 0.5 L/min sample volume 50 L. 

In the second series of experiments (Table 4.2, experiments 3-6) on ethylbenzene dehydrogenation by molecular oxygen, styrene yields were much lower than in the first series. On the quartz reactor walls condensation product precipitation in amounts up to 1.7% was observed. Moreover, if molecular hydrogen was absent in the products of conjugated dehydrogenation, the total amount of hydrogen equals 78-82% of the whole volume of gaseous products (2.2% in total products). 

Ethylbenzene and methyl phosphonic acid act as model compounds to parameterize the interaction of beads A and B in models 2 and 3. Separate NPT MD simulations of 500 molecules of each type were carried out at ambient temperature (300 K) and pressure (1 bar). The force field of ethyl benzene was adapted from the PS force field of reference. For methyl phosphonic acid, the force field was taken from simulations of heptylpho-sphonic acid. The heat of vaporization was calculated separately for each type of molecule. The molar volume of each compound was calculated by dividing the molecular weight of the bead by the density obtained from NPT molecular dynamics. The experimental density for methyl phosphonic add was unknown. Therefore, molar volumes for both beads were calculated by MD simulations. The solubility parameters and dg calculated by equation 50 are given in Table 3. The calculated value of % parameter (1.41) from the solubility parameters, which was greater than zero, signifies that ethylbenzene and methyl phosphonic acid should not mix. 

Molar volume has been studied widely [2, 128, 148, 149] but no simple relationship has been shown between molar volume and the amount of solubilizate dissolved. Stearns et al. [148], studying hexane, heptane, and octane, and benzene, toluene, ethylbenzene, propylbenzene, and butylbcnzene concluded that there was inverse proportionality between the volume of hydrocarbon solubilized and molar volume. The slope of the plots of ml hydrocarbon dissolved per 100 g solution against molar volume of hydrocarbon are different for the aliphatic and aromatic series. Klevens [16], with polycyclic compounds in sodium laurate, found linear relationships between the log volume solubilized and molar volume, the slope of plots for linear polycyclics varying from that for the nonlinear polycyclics. Schwuger [149] reported that the amount of naphthalene, anthracene, pyrene, perylene and dibenzanthracene solubilized by micelles of dodecylpentaglycol ether was inversely related to the molecular size of these solubilizates. 

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