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10 Appendix 92 10 Appendix 10.1 Interparticle diffusion coefficients Gaseous interparticle diffusion coefficients of oxygen and nitrogen are calculated according Chapmen-Enskog theory [74] as shown in Eq. A.1-1 (Eq. A.1-1) in which D is diffusion coefficient [cm2/s], T is temperature [K], P is pressure [atm], Mi is molecular weight [kg/kmol], σ12 is collision diameter [Å], and Ω is collision integral [-]. 1.8610−3T3/2 1 + 1 1/2 MM D=12 k P 2 12 Fig. A.1-1 The collision integral Ω: (a) in the function of parameter kBT/ε12; (b) in the function of temperature T The collision diameter σ12 is the arithmetic average of the two components. The collision integral Ω is a function of Lennard-Jones potential parameters ε12/kB [K] and temperature T [K], as presented in Fig. A.1-1a. The parameter kBT/ε12 [-] is determined in the temperature range of -50 °C – 100 °C in order to include a wide range of PSA operating conditions. For that reason, the collision integral Ω is calculated in the specified range of kBT/ε12 parameter from an approximation function as shown in Eq. A.1-2 = AkBT B (Eq. A.1-2) in which A and B are fitting parameters. Subsequently, Ω is determined as a function of temperature T [K], as presented in Fig. A.1-1b and described by an approximation function as shown in Eq. A.1-3 = C (T )E (Eq. A.1-3) in which C and E are fitting parameters. Therefore, diffusion coefficients of oxygen and nitrogen are implemented in the process simulation straightforward according to equations A.1-4 and A.1-5, respectively, in which D is diffusion coefficient [m2/s]. 12 PDF Image | Modelling and Simulation of Twin-Bed Pressure Swing Adsorption Plants
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