Highlighting non-idealities in C2H4/CO2 mixture adsorption in 5A zeolite

2019 ◽  
Vol 227 ◽  
pp. 115730 ◽  
Author(s):  
Ilona van Zandvoort ◽  
Jan Kees van der Waal ◽  
Erik-Jan Ras ◽  
Robbert de Graaf ◽  
Rajamani Krishna
Keyword(s):  
Mixture Adsorption ◽  
5A Zeolite

Porous Aluminophosphates as Adsorbents for the Separation of CO2/CH4 and CH4/N2 Mixtures – a Monte Carlo Simulation Study

2018 ◽  
Author(s):  
Michael Fischer
Keyword(s):  
Monte Carlo ◽  
Landfill Gas ◽  
Experimental Studies ◽  
Chem Phys ◽  
Monte Carlo Simulation Study ◽  
Mixture Adsorption ◽  
Vacuum Swing Adsorption ◽  
Separation Of Co2 ◽  
Pressure Swing ◽  
Gcmc Simulations

<div>Aluminophosphates with zeolite-like topologies (AlPOs) have received considerable attention as potential adsorbents for use in the separation of methane-containing gas mixtures. Such separations, especially the removal of carbon dioxide and nitrogen from methane, are of great technological relevance in the context of the “upgrade” of natural gas, landfill gas, and biogas. While more than 50 zeolite frameworks have been synthesised in aluminophosphate composition or as heteroatom substituted AlPO derivatives, only a few of them have been characterised experimentally with regard to their adsorption and separation behaviour. In order to predict the potential of a variety of AlPO frameworks for applications in CO<sub>2</sub>/CH<sub>4</sub> and CH<sub>4</sub>/N<sub>2</sub> separations, atomistic grand-canonical Monte Carlo (GCMC) simulations were performed for 53 different structures. Building on previous work, which studied CO<sub>2</sub>/N<sub>2</sub> mixture adsorption in AlPOs (M. Fischer, <i>Phys. Chem. Chem. Phys.</i>, 2017, <b>19</b>, 22801–22812), force field parameters for methane adsorption in AlPOs were validated through a comparison to available experimental adsorption data. Afterwards, CO<sub>2</sub>/CH<sub>4</sub> and CH<sub>4</sub>/N<sub>2</sub> mixture isotherms were computed for all 53 frameworks for room temperature and total pressures up to 1000 kPa (10 bar), allowing the prediction of selectivities and working capacities for conditions that are relevant for pressure swing adsorption (PSA) and vacuum swing adsorption (VSA). For CO<sub>2</sub>/CH<sub>4 </sub>mixtures, the <b>GIS</b>, <b>SIV</b>, and <b>ATT</b> frameworks were found to have the highest selectivities and CO<sub>2 </sub>working capacities under VSA conditions, whereas several frameworks, among them <b>AFY</b>, <b>KFI</b>, <b>AEI</b>, and <b>LTA</b>, show higher working capacities under PSA conditions. For CH<sub>4</sub>/N<sub>2</sub> mixtures, all frameworks are moderately selective for methane over nitrogen, with <b>ATV</b> exhibiting a significantly higher selectivity than all other frameworks. While some of the most promising topologies are either not available in pure-AlPO<sub>4</sub> composition or collapse upon calcination, others can be synthesised and activated, rendering them interesting candidates for future experimental studies. In addition to predictions of mixture adsorption isotherms, further simulations were performed for four selected systems in order to investigate the microscopic origins of the macroscopic adsorption behaviour, <i>e.g. </i>with regard to the very high CH<sub>4</sub>/N<sub>2</sub> selectivity of <b>ATV</b> and the loading-dependent evolution of the heat of CO<sub>2</sub> adsorption and CO<sub>2</sub>/CH<sub>4</sub> selectivity of <b>AEI</b> and GME.</div>

pyGAPS: A Python-Based Framework for Adsorption Isotherm Processing and Material Characterisation

2019 ◽  
Author(s):  
Paul Iacomi ◽  
Philip L. Llewellyn
Keyword(s):  
Pore Size Distribution ◽  
Pore Size ◽  
Size Distribution ◽  
Surface Area ◽  
Isosteric Heat ◽  
Material Characterisation ◽  
Mixture Adsorption ◽  
Surface Energetics ◽  
Adsorption Processing ◽  
User Friendly

Material characterisation through adsorption is a widely-used laboratory technique. The isotherms obtained through volumetric or gravimetric experiments impart insight through their features but can also be analysed to determine material characteristics such as specific surface area, pore size distribution, surface energetics, or used for predicting mixture adsorption. The pyGAPS (python General Adsorption Processing Suite) framework was developed to address the need for high-throughput processing of such adsorption data, independent of the origin, while also being capable of presenting individual results in a user-friendly manner. It contains many common characterisation methods such as: BET and Langmuir surface area, t and α plots, pore size distribution calculations (BJH, Dollimore-Heal, Horvath-Kawazoe, DFT/NLDFT kernel fitting), isosteric heat calculations, IAST calculations, isotherm modelling and more, as well as the ability to import and store data from Excel, CSV, JSON and sqlite databases. In this work, a description of the capabilities of pyGAPS is presented. The code is then be used in two case studies: a routine characterisation of a UiO-66(Zr) sample and in the processing of an adsorption dataset of a commercial carbon (Takeda 5A) for applications in gas separation.

Effect of Macropore Structure on Desorption Diffusion Performance of N-Pentane on 5A Zeolite

2013 ◽  
Vol 634-638 ◽  
pp. 731-735 ◽  
Author(s):  
Lu Shi ◽  
Zong Jian Liu ◽  
Qun Cui ◽  
Hai Yan Wang ◽  
Hu Qing Yao
Keyword(s):  
Diffusion Coefficients ◽  
Diffusion Rate ◽  
Low Pressure ◽  
Fast Diffusion ◽  
Desorption Rate ◽  
Macropore Structure ◽  
5A Zeolite ◽  
Desorption Equilibrium

Desorption rate curves of n-pentane on 5A zeolites at 418 K and 10-0.03 kPa were determined, and the effects of different macropore structure on desorption performance were analyzed. Results show that macropore distribution of 5A-1 concentrates in 0.25-1.25 μm, while that of 5A-2 ranges from mesopore category to 0.3 μm, but 5A-3 contains both pores of 0.01-0.1 μm and 0.2-2 μm inside, reflecting a broadest distribution; 5A-3, 5A-1 and 5A-2 reach desorption equilibrium after 1100 s, 1400 s and 2000 s respectively at 0.03 kPa, indicating that abundant macropores make n-pentane fastest desorbed from 5A-3, but this advantage gradually disappears with the increasing pressure; the effective desorption diffusion coefficients of n-pentane on 5A-1, 5A-2 and 5A-3 are 4.2×10-15-2.2×10-14 m2/s, 2.0×10-15-2.3×10-14 m2/s, 7.4×10-15-2.4×10-14 m2/s respectively, suggesting that plenty macropores make the diffusivity less affected by the changes of pressure, which can guarantee a fast diffusion rate of n-pentane even at low pressure.

Measuring Mixture Adsorption by Temperature-Programmed Desorption

2015 ◽  
Vol 54 (18) ◽  
pp. 5159-5164 ◽  
Author(s):  
Hans H. Funke ◽  
Yiwei Luo ◽  
Michael Z. Chen ◽  
Grace C. Anderson ◽  
John L. Falconer ◽  
...  
Keyword(s):  
Temperature Programmed Desorption ◽  
Mixture Adsorption ◽  
Temperature Programmed

A facile fabrication of superhydrophobic and superoleophilic adsorption material 5A zeolite for oil–water separation with potential use in floating oil

Open Physics ◽  
2021 ◽  
Vol 19 (1) ◽  
pp. 486-493
Author(s):  
Ting Liang ◽  
Biao Wang ◽  
Zhenzhong Fan ◽  
Qingwang Liu
Keyword(s):  
Separation Efficiency ◽  
Particle Size Analysis ◽  
Size Analysis ◽  
Water Mixture ◽  
Water Separation ◽  
Oil Sorbent ◽  
Analysis Experiment ◽  
5A Zeolite ◽  
Oil Water ◽  
Potential Use

Abstract A facile method for fabricating superhydrophobic and superoleophilic powder with 5A zeolite and stearic acid (SA) is reported in this study. The effect of different contents of SA on contact angle (CA) was investigated. The maximum water CA was 156.2°, corresponding to the optimum SA content of 1.5 wt%. The effects of SA and the mechanism of modified 5A zeolite powder by SA were analyzed by sedimentation analysis experiment, FTIR analysis, particle size analysis, and SEM characterization. The SA-modified 5A zeolite was used as an oil sorbent to separate oil–water mixture with potential use in floating oil. The separation efficiency was above 98%.

scholarly journals Flexible oxygen concentrators for medical applications

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Akhil Arora ◽  
M. M. Faruque Hasan
Keyword(s):  
Medical Condition ◽  
Oxygen Demand ◽  
Ambient Air ◽  
Pure Oxygen ◽  
Chronic Obstructive ◽  
Performance Limits ◽  
Obstructive Pulmonary Disease ◽  
5A Zeolite ◽  
Pressure Swing ◽  
Product Specifications

AbstractMedical oxygen concentrators (MOCs) are used for supplying medical grade oxygen to prevent hypoxemia-related complications related to COVID-19, chronic obstructive pulmonary disease (COPD), chronic bronchitis and pneumonia. MOCs often use a technology called pressure swing adsorption (PSA), which relies on nitrogen-selective adsorbents for producing oxygen from ambient air. MOCs are often designed for fixed product specifications, thereby limiting their use in meeting varying product specifications caused by a change in patient’s medical condition or activity. To address this limitation, we design and optimize flexible single-bed MOC systems that are capable of meeting varying product specification requirements. Specifically, we employ a simulation-based optimization framework for optimizing flexible PSA- and pressure vacuum swing adsorption (PVSA)-based MOC systems. Detailed optimization studies are performed to benchmark the performance limits of LiX, LiLSX and 5A zeolite adsorbents. The results indicate that LiLSX outperforms both LiX and 5A, and can produce 90% pure oxygen at 21.7 L/min. Moreover, the LiLSX-based flexible PVSA system can manufacture varying levels of oxygen purity and flow rate in the range 93–95.7% and 1–15 L/min, respectively. The flexible MOC technology paves way for transitioning to an envisioned cyber-physical system with real-time oxygen demand sensing and delivery for improved patient care.

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