scholarly journals Modeling of Gas Permeation through Mixed-Matrix Membranes Using Novel Computer Application MOT

2018 ◽  
Vol 8 (7) ◽  
pp. 1166 ◽  
Author(s):  
Aurelia Rybak ◽  
Aleksandra Rybak ◽  
Petr Sysel
Keyword(s):  
Gas Transport ◽  
Gas Permeation ◽  
Transport Processes ◽  
Experimental Results ◽  
Computer Application ◽  
Mixed Matrix Membranes ◽  
Hybrid Membranes ◽  
Mixed Matrix ◽  
Average Absolute Relative Error ◽  
Matrix Membranes

The following article proposes a modern computer application MOT (Membrane Optimization Tool) for modeling of gas transport processes through mixed-matrix membranes (MMMs). The current version of the application is based on the Maxwell model, which can be successfully used to model gas transport through the simplest types of hybrid membranes without any defects. The application has been verified on the example of four types of hybrid membranes, consisting of various types of polymer matrix, such as: poly (vinyl acetate), 2, 2′-BAPB + BPADA, Ultem, hyperbranched polyimide (ODPA-MTA) and zeolite 4A. The average absolute relative error (AARE) and root-mean-square error (RMSE) were calculated in order to compare the theoretical MOT-predicted results with the experimental results. It was found that the AARE ranges from 29% to 36%, while the RMSE is in the range of 10% to 29%. The article presents also the comparison of MOT-predicted data obtained with Maxwell and Bruggeman models. To obtain more accurate reproduction of experimental results, further versions of the proposed application will be extended with next-generation permeation models (Lewis–Nielsen, Pal, modified Maxwell or Felske models), allowing for the description of transport in more complex systems with the possibility of taking into account possible defects.

scholarly journals Gas Transport in Mixed Matrix Membranes: Two Methods for Time Lag Determination

Computation ◽  
2020 ◽  
Vol 8 (2) ◽  
pp. 28 ◽  
Author(s):  
Alessio Fuoco ◽  
Marcello Monteleone ◽  
Elisa Esposito ◽  
Rosaria Bruno ◽  
Jesús Ferrando-Soria ◽  
...  
Keyword(s):  
Transport Properties ◽  
Gas Transport ◽  
Time Lag ◽  
Effective Diffusion ◽  
Gas Permeation ◽  
Mixed Matrix Membranes ◽  
Mixed Matrix ◽  
Mixed Gas ◽  
Fitting Procedure ◽  
Matrix Membranes

The most widely used method to measure the transport properties of dense polymeric membranes is the time lag method in a constant volume/pressure increase instrument. Although simple and quick, this method provides only relatively superficial, averaged data of the permeability, diffusivity, and solubility of gas or vapor species in the membrane. The present manuscript discusses a more sophisticated computational method to determine the transport properties on the basis of a fit of the entire permeation curve, including the transient period. The traditional tangent method and the fitting procedure were compared for the transport of six light gases (H2, He, O2, N2, CH4, and CO2) and ethane and ethylene in mixed matrix membranes (MMM) based on Pebax®1657 and the metal–organic framework (MOF) CuII2(S,S)-hismox·5H2O. Deviations of the experimental data from the theoretical curve could be attributed to the particular MOF structure, with cavities of different sizes. The fitting procedure revealed two different effective diffusion coefficients for the same gas in the case of methane and ethylene, due to the unusual void morphology in the MOFs. The method was furthermore applied to mixed gas permeation in an innovative constant-pressure/variable-volume setup with continuous analysis of the permeate composition by an on-line mass-spectrometric residual gas analyzer. This method can provide the diffusion coefficient of individual gas species in a mixture, during mixed gas permeation experiments. Such information was previously inaccessible, and it will greatly enhance insight into the mixed gas transport in polymeric or mixed matrix membranes.

scholarly journals Mixed Matrix Membranes Comprising of ZIF-8 Nanofillers for Enhanced Gas Transport Properties

2016 ◽  
Vol 148 ◽  
pp. 1259-1265 ◽  
Author(s):  
Norwahyu Jusoh ◽  
Yin Fong Yeong ◽  
Kok Keong Lau ◽  
Azmi Mohd Shariff
Keyword(s):  
Transport Properties ◽  
Gas Transport ◽  
Mixed Matrix Membranes ◽  
Mixed Matrix ◽  
Gas Transport Properties ◽  
Matrix Membranes

scholarly journals CO2 Selective, Zeolitic Imidazolate Framework-7 Based Polymer Composite Mixed-Matrix Membranes

2018 ◽  
Vol 7 (3) ◽  
pp. 1 ◽  
Author(s):  
Tina Chakrabarty ◽  
Pradeep Neelakanda ◽  
Klaus-Viktor Peinemann
Keyword(s):  
Metal Organic Framework ◽  
Time Lag ◽  
Morphological Characterization ◽  
Mixed Matrix Membranes ◽  
Co2 Removal ◽  
Hybrid Membranes ◽  
Mixed Matrix ◽  
Zeolitic Imidazolate Framework ◽  
Custom Made ◽  
Matrix Membranes

CO2 removal is necessary to mitigate the effects of global warming but it is a challenging process to separate CO2 from natural gas, biogas, and other gas streams. Development of hybrid membranes by use of polymers and metal-organic framework (MOF) particles is a viable option to overcome this challenge. A ZIF-7 nano-filler that was synthesized in our lab was embedded into a designed polymer matrix at various loadings and the performance of the mixed matrix membranes was evaluated in terms of gas permeance and selectivity. Hybrid membranes with various loadings (20, 30 and 40 wt%) were developed and tested at room temperature by a custom made time lag equipment and a jump in selectivity was observed when compared with the pristine polymer. A commercially attractive region for the selectivity CO2 over CH4 was achieved with a selectivity of 39 for 40 wt% particle loading. An increase in selectivity was observed with the increase of ZIF-7 loadings. Best performance was seen at 40% ZIF-7 loaded membrane with an ideal selectivity of 39 for CO2 over CH4. The obtained selectivity was 105% higher for CO2 over CH4 than the selectivity of the pristine polymer with a slight decrease in permeance. Morphological characterization of such developed membranes showed an excellent compatibility between the polymer and particle adhesion.

Selective Gas Permeation in Mixed Matrix Membranes Accelerated by Hollow Ionic Covalent Organic Polymers

2018 ◽  
Vol 7 (1) ◽  
pp. 1564-1573 ◽  
Author(s):  
Youdong Cheng ◽  
Linzhi Zhai ◽  
Minman Tong ◽  
Tanay Kundu ◽  
Guoliang Liu ◽  
...  
Keyword(s):  
Gas Permeation ◽  
Mixed Matrix Membranes ◽  
Organic Polymers ◽  
Mixed Matrix ◽  
Matrix Membranes

Gas permeation characteristics of polymer-zeolite mixed matrix membranes

1994 ◽  
Vol 91 (1-2) ◽  
pp. 77-86 ◽  
Author(s):  
Murat G. Süer ◽  
Nurcan Baç ◽  
Levent Yilmaz
Keyword(s):  
Gas Permeation ◽  
Mixed Matrix Membranes ◽  
Mixed Matrix ◽  
Matrix Membranes

Synthesis and gas permeation analysis of TiO2 nanotube-embedded cellulose acetate mixed matrix membranes

2019 ◽  
Vol 74 (3) ◽  
pp. 821-828 ◽  
Author(s):  
M. Hamza Rashid ◽  
Sarah Farrukh ◽  
Sofia Javed ◽  
Arshad Hussain ◽  
X. Fan ◽  
...  
Keyword(s):  
Cellulose Acetate ◽  
Gas Permeation ◽  
Tio2 Nanotube ◽  
Mixed Matrix Membranes ◽  
Mixed Matrix ◽  
Matrix Membranes

scholarly journals A Review on Computational Modeling Tools for MOF-Based Mixed Matrix Membranes

Computation ◽  
2019 ◽  
Vol 7 (3) ◽  
pp. 36 ◽  
Author(s):  
Keskin ◽  
Alsoy Altinkaya
Keyword(s):  
Computational Modeling ◽  
Gas Permeability ◽  
Gas Permeation ◽  
Mixed Matrix Membranes ◽  
Great Promise ◽  
Mixed Matrix ◽  
Modeling Tools ◽  
Trade Off ◽  
Membrane Materials ◽  
Matrix Membranes

Computational modeling of membrane materials is a rapidly growing field to investigate the properties of membrane materials beyond the limits of experimental techniques and to complement the experimental membrane studies by providing insights at the atomic-level. In this study, we first reviewed the fundamental approaches employed to describe the gas permeability/selectivity trade-off of polymer membranes and then addressed the great promise of mixed matrix membranes (MMMs) to overcome this trade-off. We then reviewed the current approaches for predicting the gas permeation through MMMs and specifically focused on MMMs composed of metal organic frameworks (MOFs). Computational tools such as atomically-detailed molecular simulations that can predict the gas separation performances of MOF-based MMMs prior to experimental investigation have been reviewed and the new computational methods that can provide information about the compatibility between the MOF and the polymer of the MMM have been discussed. We finally addressed the opportunities and challenges of using computational studies to analyze the barriers that must be overcome to advance the application of MOF-based membranes.

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