Modelling of PSA is a challenging endeavour due to the nature of both the governing equations and the boundary conditions.  The mass and energy conservation equations are in the form of non-linear partial differential equations with strong hyperbolic character. During the adsorption process, heat is liberated resulting in a temperature rise of the adsorbent and gas. During desorption, a temperature drop occurs. As a result, thermal waves accompany the concentration waves in the system. The strong coupling between adsorbent temperature and equilibrium adsorption means that PSA performance is highly non-linear and analytic solution of the full problem is not feasible. The imposition of discontinuous boundary conditions together with the nature of the composition and temperature shock waves generated in the beds leads to difficulties in numerical solution requiring large computation time.  We have developed a sophisticated PSA simulator called MINSA v2.0 to allow us to model a wide range of PSA systems using a variety of constitutive models and process conditions.  Some of the features of MINSA include:

• Allow up to N components to adsorb in a multilayer bed of m layers

• Isotherms: linear, single-site Langmuir, Dual-site Langmuir (mixed gas), Langmuir-Sips

• Kinetics: Linear driving force (LDF), full Dusty-Gas pellet model

• Energy model: Isothermal, non-isothermal, full wall model

• Momentum model: Ergun equation, full momentum equation

• Process conditions allow any combination of the following boundary conditions: flow through a valve, constant velocity, constant mole flow.

• Tank models and void models

• A variety of numerical discretisation schemes

• A variety of ODE integrator schemes

For more information on this simulator contact Paul Webley

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