Predictive model of solute transport with reversible adsorption in spatially periodic hierarchical porous media

Yan, Xiaohong; Wang, Qiuwang; Li, Nan

doi:10.1016/j.chroma.2015.06.019

Cited by 12 publications

(7 citation statements)

References 41 publications

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“…Numerical details on the solution of the transport scheme Equations ( 1)-( 5) are reported in Appendix A. The reader is referred to [33] for a detailed derivation of the b-field equations from the zeroth and first-order moments of the normalized analyte concentration satisfying the general rate model for chromatography [2,41,42]. The b-fields, so named after Brenner [23], represent the timeindependent part of the first-order local moments, and their spatial gradients control the intensity of the dispersion tensor.…”

Section: Methodsmentioning

confidence: 99%

“…Recently, a new homogenization approach, named two-zone moment analysis (TZMA), has been proposed and rigorously validated [31][32][33][34][35][36], for application in chromatographic systems. The TZMA approach is a novel homogenization strategy, alternative to volume averaging techniques [37][38][39][40][41], aimed at significantly enhancing the speed and precision in addressing the general advection-diffusion equation within hierarchical porous media featuring diffusion and adsorption-desorption processes. This robust and efficient moment-based method enables the precise computation of both local and integral concentration moments, thereby yielding exact solutions for the effective velocity and dispersion tensor of migrating solute particles.…”

Section: Introductionmentioning

confidence: 99%

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Prediction of Plate Height Curves of Porous-Shell Pillar Array Columns Micro-Pillar Array Columns

Venditti,

Desmet,

Adrover

2024

Separations

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We investigate band broadening in the most widely adopted configuration of micro-pillar array columns (μPACs)—specifically, a cylindrical pillar array where both the pillar walls and the channel bottom are coated with a thin layer of mesoporous material. The two-zone moment analysis method is adopted to investigate the dispersion properties of μPACs in a broad range of shell thicknesses, reduced fluid velocities, and retention factors. Three different models of the unit cell, of increasing complexity, have been implemented, namely a two-dimensional model and two different three-dimensional models with and without the retentive bottom layer, the presence of which seems to have a very significant effect on the plate height curves. Model predictions are compared with experimental van Deemter curves for uncoated and coated porous layers, and a robust relationship between the intra-particle (porous-zone) diffusion coefficient Dpz and the retention factor k′ is established.

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Section: Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Prediction of Plate Height Curves of Porous-Shell Pillar Array Columns Micro-Pillar Array Columns

Venditti,

Desmet,

Adrover

2024

Separations

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“…An alternative to moment analysis is the method of volume-averaging, which has previously been applied to study the dispersion in porous media. − However, recent developments in moment analysis have demonstrated some of its advantages, such as its near-endless generalizability and its applicability to both transient and steady-state processes. − …”

Section: Theorymentioning

confidence: 99%

Nonadditivity and Nonlinearity of Mobile and Stationary Zone Mass Transfer Resistances in Chromatography

Huygens,

Venditti,

Adrover

et al. 2023

Anal. Chem.

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Using a two-zone moment analysis (TZMA) method based on Brenner’s generalized dispersion theory for two-dimensional (2D) and three-dimensional (3D) periodic media, we investigated the mechanisms for dispersion in particulate media for liquid chromatography. This was done using a set of plate height data covering an unprecedented wide range of retention factors, diffusion coefficients, and velocities, all computed with unequaled accuracy. Applying Giddings’ additivity test, based on alternatingly making the diffusion coefficient in the mobile and stationary zones infinitely large, the dispersion data clearly indicate a lack of additivity. Although this lack could be directly understood by identifying the existence of multiple parallel mass transfer paths, the additivity assumption interestingly overestimates the true C term band broadening (typically by more than 10%, depending on conditions and dimensionality of the system). However, Giddings originally asserted the occurrence of parallel paths would always lead to an underestimation of the dispersion. The origin of the lack of additivity is analyzed in detail and qualitatively explained. Finally, we also established a generic framework for the modeling of the effect of the reduced velocity and the retention coefficient on the C term in ordered chromatographic media. This led to the introduction of a new expression for the mobile zone mass transfer term, which, unlike the currently used literature expression, contains the complete k″ dependency.

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“…Recent numerical simulations of chromatography problems were conducted by Nawada and Dimartino [34,35] and Yan et al [36].…”

Section: Introductionmentioning

confidence: 99%

An explicit expression for the retention factor and velocity dependency of the mobile zone mass transfer band broadening in packed spheres beds used in liquid chromatography

Matheuse

Deridder

Desmet

2020

Journal of Chromatography A

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Predictive model of solute transport with reversible adsorption in spatially periodic hierarchical porous media

Cited by 12 publications

References 41 publications

Prediction of Plate Height Curves of Porous-Shell Pillar Array Columns Micro-Pillar Array Columns

Prediction of Plate Height Curves of Porous-Shell Pillar Array Columns Micro-Pillar Array Columns

Nonadditivity and Nonlinearity of Mobile and Stationary Zone Mass Transfer Resistances in Chromatography

An explicit expression for the retention factor and velocity dependency of the mobile zone mass transfer band broadening in packed spheres beds used in liquid chromatography

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