Adsorption of Praziquantel Enantiomers on Chiral Cellulose Tris 3-Chloro, 4-Methylphenylcarbamate by Frontal Analysis: Fisherian and Bayesian Parameter Estimation and Inference

Santos, Rafael Cavalcante dos; Cunha, Felipe Coelho; Marcellos, Caio Felippe Curitiba; Mello, Marcia  Soares Lima de; Tavares, Frederico W.; Pereira, Nei; Barreto, Amaro Gomes

doi:10.2139/ssrn.4089381

SSRN Journal

2022

DOI: 10.2139/ssrn.4089381

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Adsorption of Praziquantel Enantiomers on Chiral Cellulose Tris 3-Chloro, 4-Methylphenylcarbamate by Frontal Analysis: Fisherian and Bayesian Parameter Estimation and Inference

Rafael Cavalcante dos Santos¹,

Felipe Coelho Cunha²,

Caio Felippe Curitiba Marcellos³

et al.

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2024

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Cited by 1 publication

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Statistical analysis of parameters and adsorption isotherm models

Pinto,

Marcellos,

Manske

et al. 2024

Environ Sci Pollut Res

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The present work intends to discuss parameter estimation and statistical analysis in adsorption. The Langmuir and Tóth isotherm models are compared for a set of carbon dioxide adsorption data on 13X zeolite from literature at different temperatures: 303, 323, 373, and 423 K. Statistical analyses were performed under frequentist and bayesian perspectives. Under the frequentist statistical view, the estimation of parameters was performed employing Maximum Likelihood estimation (MLE) using Particle Swarm Optimization (PSO) and a Newton-like method. Statistical analyses of parameters were performed by confidence regions in terms of elliptical approximation and likelihood region, while the evaluation of models was performed by chi-square statistics. The results showed the importance of precisely knowing the experimental errors and obtaining the true confidence region of model parameters. As the model is nonlinear, the elliptical confidence region provides a poor approximation of the confidence region of the parameter estimates. Finally, correlation matrices show that Tóth's equation returned less correlated parameters than the Langmuir's. Under the bayesian perspective, the Markov-chain Monte Carlo (MCMC) technique allowed obtaining the confidence regions of the parameters such as those obtained by the frequentist approach. The bayesian method, however, enables the reconstruction of the parameters' probability density functions and the propagation of parametric uncertainties.

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Statistical analysis of parameters and adsorption isotherm models

Pinto,

Marcellos,

Manske

et al. 2024

Environ Sci Pollut Res

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show abstract

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Adsorption of Praziquantel Enantiomers on Chiral Cellulose Tris 3-Chloro, 4-Methylphenylcarbamate by Frontal Analysis: Fisherian and Bayesian Parameter Estimation and Inference

Cited by 1 publication

References 38 publications

Statistical analysis of parameters and adsorption isotherm models

Statistical analysis of parameters and adsorption isotherm models

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