Polyethylene waste gasification syngas analysis and multi-objective optimization using central composite design for simultaneous minimization of required heat and maximization of exergy efficiency

Hasanzadeh, Rezgar; Mojaver, Mehran; Azdast, Taher; Park, Chul

doi:10.1016/j.enconman.2021.114713

Cited by 50 publications

(8 citation statements)

References 50 publications

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“…Similarly, the model predicted R² (0.9329) was also in reasonable agreement with the adju s ted R² (0.9630) reported for the CiL-plant biosorption of TCP from an aqueous solution. These r-squared values are close to unity (1), and their differences are less than 0.2, indicating that the selected quadratic model description of the CiL-plant-driven phytoremediation process is significant at a 95% confidence level [19,21,22]. However, where the adequacy of precision output >4 is desirable [15], the selected quadratic model recorded adequacy of precision (16.11) value measures the signal-to-noise ratio (16.11), and the model f-value (5.36) can be used to navigate design space for modeling the PCP removal rate [24].…”

Section: Cil-driven Biosorption Processmentioning

confidence: 76%

“…It was observed that model f-values PCP (30.55) and TCP (62.75) obtained a lack-of-fit value >3 recorded at a p-value less than 0.05. This s tati s tical output indicates that there is only a 0.01% chance that f-values this large could occur in the optimization modeling of the phytoremediation process variables due to noise [19,24]. A p-value ≤ 0.0500 obtained with the CCD space sugge s ts that the quadratic model terms and subsequent assumptions on the phytoremediation process are significant at a 95% confidence level.…”

Section: Cil-driven Biosorption Processmentioning

confidence: 81%

“…The Central Composite Design (CCD) is an empirical model used for multi-objective optimization of the adsorption or bio-sorption of micropla s tics from an aqueous solution [19,20]. The CCD optimization is based on the Response Surface Methodology (RSM) [15].…”

Section: Response Surface Design Of Experimentsmentioning

confidence: 99%

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Artificial Neural Network and Response Surface Design for Modeling the Competitive Biosorption of Pentachlorophenol and 2,4,6-Trichlorophenol to Canna indica L. in Aquaponia

Enyoh

Ovuoraye

Isiuku

et al. 2023

Anal. Method Environ. Chem. J.

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The continuous exposure of the environment to carcinogenic wastes and toxic chlorophenols such as pentachlorophenol (PCP) and 2,4,6-trichlorophenol (TCP) resulting from industrial production activities is become a great concern. The search for cost efficient and ecofriendly approach to phytoremediation of water will guarantee sustainability. The present research work is concerned with cost benefit evaluation, and the optimization modeling of the competitive biosorption of PCP and TCP from aqueous solution to Cana indica. L (CiL-plant) using response surface methodology (RSM) and artificial neural network (ANN) model. The predictive performances of the ANN model and the RSM were compared based on their statistical metrics. The antagonistic and synergetic effect of significant biosorption variables (pH, initial concentration, and exposure time) on the biosorption process were studied at p-values ≤0.005. The optimized output transcends to PCP and TCP removal rates of 90% and 87.99% efficiencies at predicted r-squared ≤0.9999, at 95% confidence interval. The cost benefit evaluation established that at the optimum conditions, the cost of operating the removal of TCP from aqueous solution will save $ 7.72 compared to PCP. The reliability of the optimization model based on design of experiment was proven to be more sustainable compared to the one-factor-at-a-time methodologies.

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Section: Cil-driven Biosorption Processmentioning

confidence: 76%

Section: Cil-driven Biosorption Processmentioning

confidence: 81%

See 1 more Smart Citation

Artificial Neural Network and Response Surface Design for Modeling the Competitive Biosorption of Pentachlorophenol and 2,4,6-Trichlorophenol to Canna indica L. in Aquaponia

Enyoh

Ovuoraye

Isiuku

et al. 2023

Anal. Method Environ. Chem. J.

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“…The 1-LMLP algorithm and importance analysis can be used to determine the parameters that may affect hydrogen production when considering various feedstocks and to design a scaled-up combined gasifier. Hasanzadeh et al 156 explored PE waste gasification syngas analysis and multi-objective optimization using a central composite design to optimize the required heat and exothermic efficiency, after performing multi-objective optimization. The results showed that the optimal steam to PE waste ratio was 1 and the optimal reaction temperature was 700 °C.…”

Section: Converting Waste Plastic Into Hydrogenmentioning

confidence: 99%

Waste plastic to energy storage materials: a state-of-the-art review

et al. 2023

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“…Thermodynamic modeling has been widely used to guide experiments involving complex chemical reactions, such as pyrolysis and gasification. − The thermodynamic analysis predicts the chemical composition of a given system at the equilibrium state to aid in reactor design, unit operations, process optimization, and techno-economic and lifecycle analyses. , Chemical equilibrium composition can be calculated in two ways: (1) stoichiometric method and (2) nonstoichiometric (or Gibbs energy minimization) method. The stoichiometric method uses the relationship between balanced chemical equations and equilibrium constants to determine equilibrium compositions.…”

Section: Introductionmentioning

confidence: 99%

Ab Initio Thermochemistry of Highly Flexible Molecules for Thermal Decomposition Analysis

Kwon

Mpourmpakis

2023

J. Chem. Theory Comput.

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Pyrolysis is a promising technology for chemical recycling of waste plastics, since it enables the generation of highvalue chemicals with low capital and operating cost. The calculation of thermodynamic equilibrium composition using the Gibbs free energy minimization approach can determine pyrolysis operating conditions that produce desired products. However, the availability of thermochemical data can limit the application of equilibrium calculations. While density functional theory (DFT) calculations have been commonly used to produce accurate thermochemical data (e.g., enthalpies of formation) of small molecules, the accuracy and computational cost of these calculations are both challenging to handle for large, flexible molecules, exhibiting multiple conformations at elevated (i.e., pyrolysis) temperatures. In this work, we develop a computational framework to calculate accurate, temperature-dependent thermochemistry of large and flexible molecules by combining force field based conformational search, DFT calculations, thermochemical corrections, and Boltzmann statistics. Our framework produces accurately calculated thermochemistry that is used to predict equilibrium thermal decomposition profiles of octadecane, a model compound of polyethylene. Our thermochemistry results are compared against literature data demonstrating a great agreement, and the predicted decomposition profiles rationalize a series of pyrolysis experimental observations. Our work systematically addresses entropic contributions of large molecules and suggests paths for accurate and yet computationally feasible calculations of Gibbs free energies. The first-principles-based thermodynamic equilibrium analysis proposed in this work can be a significant step toward predicting temperature-dependent product distributions from plastic pyrolysis and guide experimentation on chemical plastic recycling.

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Polyethylene waste gasification syngas analysis and multi-objective optimization using central composite design for simultaneous minimization of required heat and maximization of exergy efficiency

Cited by 50 publications

References 50 publications

Artificial Neural Network and Response Surface Design for Modeling the Competitive Biosorption of Pentachlorophenol and 2,4,6-Trichlorophenol to Canna indica L. in Aquaponia

Artificial Neural Network and Response Surface Design for Modeling the Competitive Biosorption of Pentachlorophenol and 2,4,6-Trichlorophenol to Canna indica L. in Aquaponia

Waste plastic to energy storage materials: a state-of-the-art review

Ab Initio Thermochemistry of Highly Flexible Molecules for Thermal Decomposition Analysis

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