Hydrocarbons adsorption coefficients

Szabo, G., Guczi, J., Bulman, R.A. (1995) Examination of silica-salicylic acid and silica-8-hydroxyquinoline HPLC stationary phases for estimation of the adsorption coefficient of soil for some aromatic hydrocarbons. Chemosphere 30, 1717-1727. 

Tables VI and VIII contain in parentheses several sets of adsorption coefficients of aromatic hydrocarbons that have been estimated from competitive experiments or adsorption measurements. The problems with the interpretation have been mentioned in Section V,A,2. Other series that have been correlated with Type A and Type B expressions are summarized in Table IX 48, 52, 74, 82, 96,100,103,156-159). The series showing parallel...

Szabo, G., S.L. Prosser, and R.A. Bulman. 1990a. Adsorption coefficient (Koc) and HPLC retention factors of aromatic hydrocarbons. Chemosphere 21(4-5) 495-505. 

Swan, T.H., Mack, Jr., E. (1925) Vapor pressures of organic crystals by an effusion method. J. Am. Chem. Soc. 47, 2112-2116. Swift, Jr., E., Hochanadel, H.P. (1945) The vapor pressure of trimethylamine from 0 to 40°C. J. Am. Chem. Soc. 67, 880-881. Szabo, G., Guczi, J., Bulman, R.A. (1995) Examination of silica-salicylic acid and silica-8-hydroxyquinoline HPLC stationary phases for estimation of the adsorption coefficient of soil for some aromatic hydrocarbons. Chemosphere 30, 1717-1727. 

Measured and Simulated Heats of Adsorption as Well as Henry Adsorption Coefficients for Linear Hydrocarbons in Siliceous Zeolites... 

Rase and Kirk 24) have compared the adsorption coefficients of a series of alkylbenzenes calculated for cracking of these hydrocarbons on a silica-alumina catalyst from Eq. (1) with the bond strength of structurally related alkanes and have obtained a linear relation. The correlation coefficient is again high, 0.98. As has been shown in Table I, the corresponding rate constants can be correlated by the Taft equation. However, the plot of log Kj vs a gives a curve. 

Kawamura K, Suzuki I, Fujii Y, Watarrabe O (1994) Ice core record of polycyclic aromatic hydrocarbons over the past 400 years. Naturwissenschaften 81 502-505 Kelly CP, Cramer CJ, Truhlar DG (2004) Predicting adsorption coefficients at air-water interfaces using universal solvation and surface area models. J Phys Chem B 108 12882-12897... 

Contrary to branched alkanes, alkene isomers are rather more reactive than the corresponding -alkenes (Table 1.12). As a matter of fact, normal alkenes are too strongly adsorbed on the metals. Substituting H atoms by alkyl groups tends to decrease the adsorption heat of alkene isomers, which contributes to equilibrate the adsorption coefficients of hydrocarbons and oxygen. ... 

Most chemical and reaction path models currently account only for the aqueous carboxylic acids and their cation complexes, amino acids, some liquid hydrocarbons, alcohols, and certain other compounds entered into the data base for project-specific purposes. Adsorption of trace metals onto solid humic substances, for example, requires the user to create a fictitious solid and use an empirical adsorption coefficient. Scattered reports of carboxylic acid solids such as calcium oxalate (Marlowe 1970 Naumov et al. 1971 Galimov et al. 1975 Graustein et al. 1977 Campbell and Roberts 1986) emphasize the necessity to perform sensitivity analyses on the formation of such solids and indicate another area of uncertainty in the interpretation of chemical and reaction path model results. 

Despite the importance of mixtures containing steam as a component there is a shortage of thermodynamic data for such systems. At low densities the solubility of water in compressed gases has been used (J, 2 to obtain cross term second virial coefficients Bj2- At high densities the phase boundaries of several water + hydrocarbon systems have been determined (3,4). Data which would be of greatest value, pVT measurements, do not exist. Adsorption on the walls of a pVT apparatus causes such large errors that it has been a difficult task to determine the equation of state of pure steam, particularly at low densities. Flow calorimetric measurements, which are free from adsorption errors, offer an alternative route to thermodynamic information. Flow calorimetric measurements of the isothermal enthalpy-pressure coefficient pressure yield the quantity 4>c = B - TdB/dT where B is the second virial coefficient. From values of obtain values of B without recourse to pVT measurements. 

Catalysts are porous and highly adsorptive, and their performance is affected markedly by the method of preparation. Two catalysts that are chemically identical but have pores of different size and distribution may have different activity, selectivity, temperature coefficient of reaction rate, and response to poisons. The intrinsic chemistry and catalytic action of a surface may be independent of pore size, but small pores appear to produce different effects because of the manner and time in which hydrocarbon vapors are transported into and out of the interstices. 

Understanding the adsorption, diffusivities and transport limitations of hydrocarbons inside zeolites is important for tailoring zeolites for desired applications. Knowledge about diffusion coefficients of hydrocarbons inside the micropores of zeolites is important in discriminating whether the transport process is micropore or macropore controlled. For example, if the diffusion rate is slow inside zeolite micropores, one can modify the post-synthesis treatment of zeolites such as calcination, steaming or acid leaching to create mesopores to enhance intracrystalline diffusion rates [223]. The connectivity of micro- and mesopores then becomes an... 

Murillo et al. (2004) studied the adsorption of phenanthrene (polycyclic aromatic hydrocarbon -PAH) from helium as carrier gas on a coke fixed-bed adsorber, at 150 °C. The isotherm of the phenanthrene-coke system at 150 °C was found to be of Freundlich type with Fr = 0.161 and KF = 1.9 (mol/kg)(m3/mol)0161. The isotherm has been derived for phenanthrene concentrations between 1.71 X 10 4 and 1.35 X 10-2 mol/m3. Finally, the average solid-phase diffusion coefficient, calculated from several experimental runs, was found to be 6.77 X 10-8 cm2/s. 

For some models adsorption or storage is important. For example, oxygen storage is important in a 3-way catalysis, a catalyst may contain a hydrocarbon storage component for improved low-temperature performance, and ammonia storage is important for ammonia SCR (selective catalytic reduction). Clearly, this sort of behaviour needs to be included in the final model. The nature of the measurements depends on the exact system being studied and will be discussed in more detail later. Suffice to say, from measurements at steady state, the heats of adsorption and coefficients of... 

Relaxation times T, and T2 depend on the motion of molecules which contain the nuclei (236) and their measurement often leads to the various kinetic parameters for the adsorbed molecules, the knowledge of which is essential for the understanding of the mechanism of many zeolite-mediated processes. The diffusion coefficient of the reactants and products in a catalytic reaction, which can be determined from NMR, is often rate limiting. Relaxation studies can also determine surface coverage by the sorbed species and provide information about the distribution of adsorption energy between the different sites on the surface of a catalyst. For these reasons a great deal of NMR work has been done with adsorbed species in zeolites in the course of the last twenty years. From the applied viewpoint the emphasis is on water and hydrocarbons as guest molecules from the fundamental viewpoint species such as Xe, SF6, H2, CH4, and NH3 are of special interest. 

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