Tavares, Rhaisa, Santana Dias, Camila, Rodrigues Moura, Carlos Henrique, Rodrigues, Emerson, Viegas, Bruno, Macedo, Emanuel, Estumano, Diego. (1401). Parameter Estimation in Mass Balance Model Applied in Fixed Bed Adsorption using the Markov Chain Monte Carlo Method. هنرهای کاربردی, 9(2), 219-232. doi: 10.22075/jhmtr.2023.28050.1389
Rhaisa Tavares; Camila Santana Dias; Carlos Henrique Rodrigues Moura; Emerson Cardoso Rodrigues; Bruno Viegas; Emanuel Macedo; Diego Cardoso Estumano. "Parameter Estimation in Mass Balance Model Applied in Fixed Bed Adsorption using the Markov Chain Monte Carlo Method". هنرهای کاربردی, 9, 2, 1401, 219-232. doi: 10.22075/jhmtr.2023.28050.1389
Tavares, Rhaisa, Santana Dias, Camila, Rodrigues Moura, Carlos Henrique, Rodrigues, Emerson, Viegas, Bruno, Macedo, Emanuel, Estumano, Diego. (1401). 'Parameter Estimation in Mass Balance Model Applied in Fixed Bed Adsorption using the Markov Chain Monte Carlo Method', هنرهای کاربردی, 9(2), pp. 219-232. doi: 10.22075/jhmtr.2023.28050.1389
Tavares, Rhaisa, Santana Dias, Camila, Rodrigues Moura, Carlos Henrique, Rodrigues, Emerson, Viegas, Bruno, Macedo, Emanuel, Estumano, Diego. Parameter Estimation in Mass Balance Model Applied in Fixed Bed Adsorption using the Markov Chain Monte Carlo Method. هنرهای کاربردی, 1401; 9(2): 219-232. doi: 10.22075/jhmtr.2023.28050.1389

Parameter Estimation in Mass Balance Model Applied in Fixed Bed Adsorption using the Markov Chain Monte Carlo Method

Journal of Heat and Mass Transfer Research
مقاله 11، دوره 9، شماره 2 - شماره پیاپی 18، بهمن 2022، صفحه 219-232    اصل مقاله (1.27 M)
نوع مقاله: Full Length Research Article
شناسه دیجیتال (DOI): 10.22075/jhmtr.2023.28050.1389
نویسندگان
Rhaisa Tavares1؛ Camila Santana Dias2؛ Carlos Henrique Rodrigues Moura2؛ Emerson Cardoso Rodrigues3؛ Bruno Viegas4؛ Emanuel Macedo3؛ Diego Cardoso Estumano* 4
1Graduate Program in Process Engineering, Federal University of Pará, Pará, Brazil
2Graduate Program in Natural Resource in the Amazon, Federal University of Pará, Pará, Brazil
3Faculty of Chemical Engineering, Federal University of Pará, Pará, Brazil
4Faculty of Biotechnology, Federal University of Pará, Pará, Brazil
چکیده
In this work, a mathematical model is adopted to predict the breakthrough curve in a fixed bed adsorption process, neglecting radial dispersion effects in the bed, with properties such as interstitial velocity and porosity being constant, linear adsorption kinetics and equilibrium relationship represented by the Langmuir isotherm. The resulting partial differential equation is numerically solved by the Method of Lines (MOL), while the Markov Chain Monte Carlo method is employed to estimate the model parameters, using simulated measures and a priori Gaussian probability distribution for the parameters, varying the mean and standard deviation. A convergence analysis was performed to look for numerical convergence between the number of nodes (N) used and the computational cost (CPU time) and it was observed that N = 100 obtained the lowest computational cost (less than 0.2 s). The estimated values of Peclet's number (Pe) and Langmuir's constant (KL) showed deviations of 7% and 0.01%, respectively, compared to their exact value which shows that the estimates were accurate, i.e., the parameters are close to the exact value. Also, the estimated values were within the credibility interval of 99 % established, which shows precise estimates. The information taken from these estimates has become of fundamental importance in predicting the behavior of the breakthrough curve at different points in the bed, showing that the MOL in combination with the MCMC are efficient tools in the direct and inverse analysis of models of breakthrough curves.
کلیدواژه‌ها
Adsorption؛ Breakthrough curve؛ MCMC؛ Parameter estimation؛ Convergence analysis
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