پرویز ملک زاده

In this thesis, the application of an inverse solution method composed of conjugate gradient method (CGM) and the element-increment differential quadrature method (E-IDQM), as a computationally efficient and accurate numerical tool, for the surface gas adsorption systems is investigated. The ability of the present inverse algorithm to estimate the unknown parameters of mass transfer problems is shown. In this regards, based on the different surface adsorption operation simulation methods, such as the equilibrium, complete kinetics and linear driving force (LDF) methods, a practical problem is considered and the corresponding inverse problems are solved by the proposed approach. For the inverse problems of the first two simulation methods, the measured data are the pressure at different time in a cylindrical vessel, and the estimated parameters are, respectively, the equilibrium adsorption isotherm at different temperatures, as one of the most important parameter of surface gas adsorption, and effective diffusivity. In the complete kinetics method, all of the diffusion mechanisms in the adsorbent particles and the adsorption process manner are considered, and also their contribution and range of importance at different condition are presented. From the results it is observed that the effective diffusivity depends on the temperature and pressure, and it may has significant variations. Hence, the constant value assumption of this parameter may yield inaccurate results. In addition, it is shown that the increase in temperature causes the effective diffusivity to increase and this variation is much sensitive to the change in temperature at low pressure. In the inverse problem corresponding to the LDF method, the overall mass transfer coefficients of the adsorption column are estimated simultaneously by using the measured time histories of the mole fractions of outlet multicomponent. Then, the influences of adsorption parameters on the breakthrough curves are shown. From