Prediction of breakthrough curves in a fixed-bed column based on normalized Gudermannian and error functions

Hu, Qili; Huang, Qi; Yang, Danni; Liu, Hengyuan

doi:10.1016/j.molliq.2020.115061

Cited by 19 publications

(9 citation statements)

References 18 publications

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“…The results shown in the figures illustrate the goodness of fit and, equally important, that the variation in the output can be explained by the input variables as the residual data points are scattered randomly around the zero line, which supports the validity of the trained model (i.e., there is no observable trend or nonrandomness in the residuals [51,52]).…”

Section: Residual Plotmentioning

confidence: 52%

Uncertainty Quantification of the Lifetime of Self-Healing Thermal Barrier Coatings Based on Surrogate Modelling of Thermal Cyclic Fracture and Healing

Kumthekar,

Ponnusami,

van der Zwaag

et al. 2022

SSRN Journal

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Section: Residual Plotmentioning

confidence: 52%

Uncertainty Quantification of the Lifetime of Self-Healing Thermal Barrier Coatings Based on Surrogate Modelling of Thermal Cyclic Fracture and Healing

Kumthekar,

Ponnusami,

van der Zwaag

et al. 2022

SSRN Journal

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“…In this study, Bohart-Adams, Thomas, Yoon-Nelson, Dose-Response, and Clark equations were used to examine the dynamic adsorption characteristics of AA in a fixed bed column [34][35][36][37][38]. Although the above-mentioned equations are mathematically simple and have limited model parameters, they are widely used in fixed-bed column breakthrough curve modeling studies because they show excellent fitting results [33,39]. The parameter values of each of the above-mentioned formulas were obtained using the Nelder-Mead method [40].…”

Section: Resultsmentioning

confidence: 99%

Acetaldehyde Adsorption Characteristics of Ag/ACF Composite Prepared by Liquid Phase Plasma Method

Kim

Shim

et al. 2021

Nanomaterials

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Ag particles were precipitated on an activated carbon fiber (ACF) surface using a liquid phase plasma (LPP) method to prepare a Ag/ACF composite. The efficiency was examined by applying it as an adsorbent in the acetaldehyde adsorption experiment. Field-emission scanning electron microscopy and energy-dispersive X-ray spectrometry confirmed that Ag particles were distributed uniformly on an ACF surface. X-ray diffraction and X-ray photoelectron spectroscopy confirmed that metallic silver (Ag0) and silver oxide (Ag2O) precipitated simultaneously on the ACF surface. Although the precipitated Ag particles blocked the pores of the ACF, the specific surface area of the Ag/ACF composite material decreased, but the adsorption capacity of acetaldehyde was improved. The AA adsorption of ACF and Ag/ACF composites performed in this study was suitable for the Dose–Response model.

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“…Out of the several simplified breakthrough models, in our study, a simplified, normalized error breakthrough model (Hu et al, 2021) was utilized to model the monotone and S shaped breakthrough curves using Equation (11) with parameters

k

and

\tau

to determine the degree of curvature and the location of the curve respectively.

\frac{c}{{c}_{0}}=\frac{1}{2}(1+\text{erf}[k(t-\tau )])

\text{erf}(t)=\frac{2}{\sqrt{\pi }}{\int }_{0}^{t}{e}^{{-t}^{2}}{dt}{,}

Where, the error function was defined by Equation (12).…”

Section: Methodsmentioning

confidence: 99%

Section: Empirical Modeling Of Continuous Pcc Protein a Chromatographymentioning

confidence: 99%

Digital twin of a continuous chromatography process for mAb purification: Design and model‐based control

Tiwari

Masampally

Agarwal

et al. 2022

Biotech & Bioengineering

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Model‐based design of integrated continuous train coupled with online process analytical technology (PAT) tool can be a potent facilitator for monitoring and control of Critical Quality Attributes (CQAs) in real time. Charge variants are product related variants and are often regarded as CQAs as they may impact potency and efficacy of drug. Robust pooling decision is required for achieving uniform charge variant composition for mAbs as baseline separation between closely related variants is rarely achieved in process scale chromatography. In this study, we propose a digital twin of a continuous chromatography process, integrated with an online HPLC‐PAT tool for delivering real time pooling decisions to achieve uniform charge variant composition. The integrated downstream process comprised continuous multicolumn capture protein A chromatography, viral inactivation in coiled flow inverter reactor (CFIR), and multicolumn CEX polishing step. An online HPLC was connected to the harvest tank before protein A chromatography. Both empirical and mechanistic modeling have been considered. The model states were updated in real time using online HPLC charge variant data for prediction of the initial and final cut point for CEX eluate, according to which the process chromatography was directed to switch from collection to waste to achieve the desired charge variant composition in the CEX pool. Two case studies were carried out to demonstrate this control strategy. In the first case study, the continuous train was run for initially 14 h for harvest of fixed charge variant composition as feed. In the second case study, charge variant composition was dynamically changed by introducing forced perturbation to mimic the deviations that may be encountered during perfusion cell culture. The control strategy was successfully implemented for more than ±5% variability in the acidic variants of the feed with its composition in the range of acidic (13%–17%), main (18%–23%), and basic (59%–68%) variants. Both the case studies yielded CEX pool of uniform distribution of acidic, main and basic profiles in the range of 15 ± 0.8, 31 ± 0.3, and 53 ± 0.5%, respectively, in the case of empirical modeling and 15 ± 0.5, 31 ± 0.3, and 53 ± 0.3%, respectively, in the case of mechanistic modeling. In both cases, process yield for main species was >85% and the use of online HPLC early in the purification train helped in making quicker decision for pooling of CEX eluate. The results thus successfully demonstrate the technical feasibility of creating digital twins of bioprocess operations and their utility for process control.

show abstract

Prediction of breakthrough curves in a fixed-bed column based on normalized Gudermannian and error functions

Cited by 19 publications

References 18 publications

Uncertainty Quantification of the Lifetime of Self-Healing Thermal Barrier Coatings Based on Surrogate Modelling of Thermal Cyclic Fracture and Healing

Uncertainty Quantification of the Lifetime of Self-Healing Thermal Barrier Coatings Based on Surrogate Modelling of Thermal Cyclic Fracture and Healing

Acetaldehyde Adsorption Characteristics of Ag/ACF Composite Prepared by Liquid Phase Plasma Method

Digital twin of a continuous chromatography process for mAb purification: Design and model‐based control

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