A practical approach to fixed-site-carrier facilitated transport modeling for the separation of propylene/propane mixtures through silver-containing polymeric membranes

Zarca, Raúl; Ortiz, Alfredo; Gorri, Daniel; Ortíz, Inmaculada

doi:10.1016/j.seppur.2017.02.050

Cited by 27 publications

(21 citation statements)

References 48 publications

(60 reference statements)

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“…38 They also introduced a fixed-site carrier-hopping parameter to calculate effective permeability. 39 The results revealed that olefin flux can be precisely predicted by models, which can be further developed for more complex hybrid mechanisms for fixed and mobile sites with polymer composite membranes.…”

Section: Introductionmentioning

confidence: 92%

“…Their models were noteworthy in that they considered temperature, pressure, and carrier loading effects including various transport mechanisms such as fixed‐site carriers, mobile carriers, and solution‐diffusion transport mechanisms . They also introduced a fixed‐site carrier‐hopping parameter to calculate effective permeability . The results revealed that olefin flux can be precisely predicted by models, which can be further developed for more complex hybrid mechanisms for fixed and mobile sites with polymer composite membranes.…”

Section: Introductionmentioning

confidence: 99%

“…Zarca et al presented new mathematical models to determine light olefin flux in a composite polymer membrane containing Ag + ionic liquid. 38,39 Their models were noteworthy in that they considered temperature, pressure, and carrier loading effects including various transport mechanisms such as fixed-site carriers, mobile carriers, and solution-diffusion transport mechanisms. 38 They also introduced a fixed-site carrier-hopping parameter to calculate effective permeability.…”

Section: Introductionmentioning

confidence: 99%

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Rigorous modeling of gas permeation behavior in facilitated transport membranes (FTMs); evaluation of carrier saturation effects and double‐reaction mechanism

2017

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In this work, a general model for the gas permeation behavior of facilitated transport membranes (FTMs) has been developed. The importance of developing a clearer understanding of FTM permeation behavior by introducing a detailed two‐dimensional FTM model was demonstrated. This model accounts for the effects of partial pressure on permeance by considering the carrier saturation‐state phenomenon and reaction‐diffusion portions in FTMs. The model is based on a first order double‐step reaction mechanism with respect to the role of the concentration of zwitterion ions in the facilitated transport of CO2. It is shown here that the individual values of reaction constant rates and diffusion coefficients of components in the chemical reaction, which belong to the FTM condition, have been determined by the FTMs’ permeability and were not guessed or calculated. Overall, this work provides a method for the more reliable use of models to understand and design of FTMs, and to better comprehend the large and growing body of experimental data on these kinds of membranes. © 2017 Society of Chemical Industry and John Wiley & Sons, Ltd.

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Section: Introductionmentioning

confidence: 92%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Rigorous modeling of gas permeation behavior in facilitated transport membranes (FTMs); evaluation of carrier saturation effects and double‐reaction mechanism

2017

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“…In addition, it should be taken into account that the transport flux due to the fixed site carrier mechanism, characterized by the "hopping parameter" FC K , is a function of the silver loading in the membrane and the temperature [51]. A mathematical expression can be derived for the dependence of FC K on temperature and silver concentration.…”

Section: Mathematical Modelingmentioning

confidence: 99%

“…The proportionality between the value of FC K and the variables is defined through the fitting parameter  : Ag K (18) In Equation 18 the influence of temperature in the hopping mechanism has been described through an Arrhenius-type expression, and the term in brackets refers to the concentration of free "uncomplexed" silver cations, as obtained from the heterogeneous chemical equilibrium, Equation 16. The value of the heterogeneous equilibrium constant has been taken from previous works based on the fixed-site carrier mechanism [51]. The parameter  and the activation energy of the hopping parameter ( FC…”

Section: Mathematical Modelingmentioning

confidence: 99%

Generalized predictive modeling for facilitated transport membranes accounting for fixed and mobile carriers

Zarca

Ortiz

Gorri

et al. 2017

Journal of Membrane Science

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The present work expands previous modeling knowledge on facilitated transport membranes for olefin/paraffin separation. A new robust and practical mathematical model for the description of light olefin flux in composite polymer/ionic liquid/Ag + membranes is reported. The model takes into account three different transport mechanisms, i.e., solution-diffusion, fixed-site carrier and mobile carrier transport mechanisms. Fixed-site carrier contribution that appears thanks to the bounding of silver cations with the polymer chains is described through a "hopping parameter". Furthermore, given that the addition of an ionic liquid to the membrane composition promotes carrier mobility, the inclusion of a dedicated expression is necessary for a realistic description of mobile-carrier transport phenomena. The contribution of each mechanism in weighted based on the membrane composition. In order to check the model suitability, simulated values have been matched to experimental data obtained by continuous flow propane/propylene permeation experiments through PVDF-HFP/BMImBF 4 /AgBF 4 composite membranes, working with 50:50 gas mixtures at different temperature and pressure. The resultant model offers good predictions for olefin flux and provides a very useful tool for process optimization and scaling-up. To our knowledge, this is the first time that mobile and fixed site carrier mechanisms performance are simultaneously modeled considering the influence of temperature, pressure and carrier loading.

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Accurate thermodynamic modeling of ionic liquids/metal salt mixtures: Application to carbon monoxide reactive absorption

et al. 2017

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For the first time, a theoretical semipredictive approach based on the soft‐Statistical Associating Fluid Theory equation of state is presented to model the complexation reaction between carbon monoxide (CO) in a combined ionic liquid (IL) plus a copper(I) metallic salt media in terms of the gas solubility as a function of temperature, pressure, and composition. Two different degrees of molecular approximation are tested. In the first approach, the IL‐metal salt mixture is treated as a single compound whose parameters are modified according to the concentration of the metallic salt. In the second approach, both compounds are treated as independent species, enhancing the predictive capability of the model. The complexation between CO molecules and the metal salt is reproduced by adding specific cross‐association interaction sites that simulate the reaction. The density of the doped IL and the CO solubility are described in quantitative agreement with the experimental data at different operating conditions. © 2017 American Institute of Chemical Engineers AIChE J, 63: 3532–3543, 2017

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A practical approach to fixed-site-carrier facilitated transport modeling for the separation of propylene/propane mixtures through silver-containing polymeric membranes

Abstract: A practical approach to fixed-site-carrier facilitated transport modeling for the separation of propylene/propane mixtures through silver-containing polymeric membranes, Separation and Purification Technology (2017),

Cited by 27 publications

References 48 publications

Rigorous modeling of gas permeation behavior in facilitated transport membranes (FTMs); evaluation of carrier saturation effects and double‐reaction mechanism

Rigorous modeling of gas permeation behavior in facilitated transport membranes (FTMs); evaluation of carrier saturation effects and double‐reaction mechanism

Generalized predictive modeling for facilitated transport membranes accounting for fixed and mobile carriers

Accurate thermodynamic modeling of ionic liquids/metal salt mixtures: Application to carbon monoxide reactive absorption

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