Browsing by Author "Jaycock, Michael J."

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Calculation of Adsorption Potentials for Water on Rutile
(Journal of the Chemical Society : Faraday Transaction - I. The Chemical Society, London. 1974, 70 (08), 1974) Jaycock, Michael J.; Waldsax, John C. R.
Adsorption potential calculations have been made for the adsorption of water onto ideal (100) and (110) faces of rutile. The results for the (110) face may be interpreted so as to be consistent with the published results of i.r. studies and temperature programmed desorption. The position in relation to the (100) face results remains unresolved. The effects of substituting AP+ and Ti3+ for Ti4+ in the (110) surface plane have been investigated and predict a decrease in the adsorption potential of a water molecule.
Calculation of the Interaction of Adsorption of Inert Gases on to the (100) Face of Sodium Chloride and Argon on to the (100) Face of Potassium Chloride
(Journal of the Chemical Society : Faraday Transaction - I. The Chemical Society, London. 1974, 70 (09), 1974) House, William A.; Jaycock, Michael J.
Calculations are presented for the adsorptive potential energy for inert gases on the (100) faces of NaCl and KCl. These are performed using the “exponential-six” equation to calculate dispersion and repulsion terms, and a Fourier expansion method to calculate the electrostatic field interaction. The results are presented as adsorption potential contour maps for the inert gases on NaCl and for Ar on KCl. The isosteric heat at zero coverage is calculated in each case using both mobile and localised adsorption models, and compared with the value predicted using the hindered translation model of Hill.
Determination of the Surface Heterogeneity of Solid Particulates using the Patchwise Adsorption Model
(Journal of the Chemical Society : Faraday Transaction - I. The Chemical Society, London. 1977, 73 (06), 1977) House, William A.; Jaycock, Michael J.
Two methods of solution of the integral equation describing the physical adsorption of gases on polysorptic surfaces have recently been developed. The derived algorithms, HILDA and CAEDMON, are compared in detail by applying them to the analysis of krypton adsorbed on silver iodide and nitrogen adsorbed on Spheron-6 (untreated and partially annealed), all measured near 77 K. The numerical results are presented in the form of adsorptive energy distributions. The differences between the results from the two programs, most evident in the case of nitrogen adsorbed on Spheron-6, are explained in terms of the convergence and accuracy of the two methods. The program HILDA is found to yield more detail about the heterogeneity distributions than CAEDMON and subsequently more information about the effects of annealing the Spheron-6 surface.