Article
Energy & Fuels
Lingfu Liu, Yulong Zhao, Mingyao Luo, Liehui Zhang, Saman A. Aryana
Summary: This study proposes a framework that combines atomistic simulations (ASs) with the lattice Boltzmann (LB) method to investigate the adsorption behavior of confined fluids across scales. The competitive adsorption behavior of CH4-CO2 in nano-slits is explored using multi-component GCMC simulations, and the results are in good agreement with LB simulations. The bridging of physics from GCMC to LB via PR-EoS connects the adsorption behavior of binary systems across scales.
Article
Chemistry, Physical
Shurraya Denning, Jolie M. Lucero, Ahmad A. A. Majid, James M. Crawford, Moises A. Carreon, Carolyn A. Koh
Summary: The synergistic effect of combining gas hydrates with the novel porous organic cage CC3 for methane storage was demonstrated using a high-pressure differential scanning calorimeter. The addition of CC3 significantly improved methane hydrate formation and increased methane storage capacity.CC3 displayed remarkable stability, recyclability, and enhanced performance in promoting methane hydrate formation to achieve a high capacity for methane storage.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Chemistry, Analytical
Yang Liu, Jia Jia, Tong Liao, Jin Luo, Xinfeng Zhang
Summary: A new method based on the enantioselective recognition of porous organic cages CC3-R was established, utilizing the inherent chiral environment and fluorescence properties of the organic ligands. Different chiral monomers were found to produce varying effects on the fluorescence of the cages, highlighting the potential simplicity, low cost, and high sensitivity advantages for chiral recognition in the future.
Article
Chemistry, Physical
Nida A. McKee, Michael L. McKee
Summary: The absorption of various atoms and molecules within CC3-R, a Porous Organic Cage (POC), was calculated and analyzed. The structure and free energy difference of different molecules binding to CC3-R showed variations in binding modes. Additionally, the dimerization of CC3-R and the impact of different numbers of iodine atoms enclosed in CC3-R were also studied.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Engineering, Chemical
Zucheng Cheng, Weiguo Liu, Shaohua Li, Sijia Wang, Yingying Liu, Xiang Sun, Cong Chen, Lanlan Jiang, Yongchen Song
Summary: This study evaluated the performance of SDS in the separation efficiency of simulated biogas. The experimental results showed that higher driving forces led to a significant increase in gas capture, dominated by the CH4 component. Hydrate growth mainly occurred in the liquid phase, and the separation factor was positively correlated with the induction time. Gas capture per unit volume of solution could be improved at higher gas-liquid ratios, while high-pressure failure behavior was observed. The defoamer had no significant effect on hydrate generation kinetics and separation efficiency.
SEPARATION AND PURIFICATION TECHNOLOGY
(2022)
Article
Nanoscience & Nanotechnology
Wenjing Wang, Kongzhao Su, El-Sayed M. El-Sayed, Miao Yang, Daqiang Yuan
Summary: Porous organic cage materials show eight distinct solid-state solvatomorphs, affecting gas sorption capacities and separation abilities. A particular solvatomorph exhibits a significantly higher surface area and superior adsorption and separation abilities for acetylene and carbon dioxide compared to other solvatomorphs, indicating the potential for adjusting gas sorption and separation properties by controlling solvatomorphs.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Chemistry, Multidisciplinary
Kai Qu, Jipeng Xu, Liheng Dai, Yixing Wang, Hongyan Cao, Dezhu Zhang, Yulin Wu, Weiyi Xu, Kang Huang, Cheng Lian, Xuhong Guo, Wanqin Jin, Zhi Xu
Summary: In this study, a crystal-rearrangement strategy induced by electrostatic attraction was used to design a POC membrane with heterostructure. The rearranged crystal layer, which was uniform and defect-free, displayed excellent CO2 separation performance and stability.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Engineering, Environmental
Marlene Pacheco, Marta Bordonhos, Mariana Sardo, Rui Afonso, Jose R. B. Gomes, Luis Mafra, Moises L. Pinto
Summary: The effect of minor amounts of water on CO2 and CH4 adsorption on amine-functionalised materials was studied, and it was found that the presence of water significantly enhances the selectivity for CO2 on tertiary amine-functionalised materials. However, the presence of water has no effect on the adsorption properties of primary amine-functionalised materials.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Chemistry, Physical
Qihui Qian, Ashley M. Wright, Hyunhee Lee, Mircea Dinca, Zachary P. Smith
Summary: Mixed-matrix membranes containing CO2-selective metal-organic frameworks have shown potential in improving energy efficiency for natural gas and biogas separation. A specific MMM system with a 6FDA-Durene polymer and an MFU-4 MOF demonstrated enhanced CO2/CH4 gas separation performance at low temperatures, primarily due to the higher polarizability and smaller size of CO2 compared to CH4. Additionally, the hybrid membrane showed competitive performance for H2S separation compared to literature materials designed specifically for this purpose.
CHEMISTRY OF MATERIALS
(2021)
Article
Chemistry, Organic
Matthew P. Rivera, Ming Liu, Donglin He, Ryan P. Lively
Summary: Porous organic cages (POCs) are a type of microporous materials with a wide range of potential applications. In this study, a prototypical POC, CC3, was used to investigate the potential to tune cage properties through post-synthetic dynamic covalent chemistry. It was found that even small amounts of other diamine linkers can be substituted into the existing cages.
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
(2022)
Article
Engineering, Chemical
Azam Aydani, Adele Brunetti, Hafez Maghsoudi, Giuseppe Barbieri
Summary: This paper investigates the impact of different gas mixtures on CO2 separation using an SSZ-13 zeolite membrane, showing good performance at 30 degrees Celsius and 200 kPa pressure, with improved selectivity for various mixed gases. The membrane demonstrated consistent CO2 permeance while reducing the permeance of other gases, leading to increased selectivity across different gas compositions.
SEPARATION AND PURIFICATION TECHNOLOGY
(2021)
Article
Multidisciplinary Sciences
Yu Zhang, Long-Zhang Dong, Shan Li, Xin Huang, Jia-Nan Chang, Jian-Hui Wang, Jie Zhou, Shun-Li Li, Ya-Qian Lan
Summary: The study demonstrates that the ECR selectivity depends strongly on the Cu site coordination environment in crystalline porous catalysts, with Cu-DBC showing higher selectivity and activity due to the lower energy barriers of Cu-O-4 sites during the ECR process. This provides a platform for constructing highly selective ECR catalysts with potential applications in the energy conversion field.
NATURE COMMUNICATIONS
(2021)
Review
Energy & Fuels
Phakamile Ndlovu, Saeideh Babaee, Paramespri Naidoo
Summary: This article reviews the encapsulation process of carbon dioxide by replacing methane from natural gas hydrates, presenting and discussing methane-carbon dioxide replacement models. The variables affecting the replacement process and reported theoretical findings are reviewed, along with the challenges and limitations. The fundamentals of hydrate formation mechanisms on porous media are also detailed, and a comprehensive discussion and comparison of experimental studies involving different porous media materials and various additives are presented.
Article
Chemistry, Physical
Van-Hoan Le, Alexandre Tarantola, Marie-Camille Caumon
Summary: This study aims to interpret the physical mechanisms behind the pressure-induced vibrational frequency shifts of CH4 and N-2 in binary mixtures such as CH4-CO2, N-2-CO2, and CH4-N-2, using two theoretical models and providing a predictive model for the frequency shift of the CH4 nu(1) band as a function of pressure, density, and composition.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Engineering, Chemical
Tongxin Liu, Ruili Zhang, Guangcan Huang, Yabo Xie, Lin-Hua Xie, Jian-Rong Li
Summary: As a new type of porous materials, metal-organic cages (MOCs) have great potential in adsorption and separation. In this study, a series of zirconocene-based MOCs were used to fabricate MMMs with polyimide 6FDA-DAM, and the MOC-1-4F based membranes showed improved gas separation performance compared to other MOC-based membranes. The introduction of MOC-1-4F promoted the Tg values, mechanical property, CO2 solubility, and diffusivity of the membrane. The low-loaded MOC-1-4F MMM exhibited significantly improved CO2 permeability and selectivity for CO2/CH4 separation.
SEPARATION AND PURIFICATION TECHNOLOGY
(2023)
Article
Nanoscience & Nanotechnology
Shane Lawson, Alireza Farsad, Fateme Rezaei, Douglas Ludlow, Ali A. Rownaghi
Summary: This study addressed the issue of poor rheological properties when using high nitrate salt concentrations for 3D printing of metal oxides, by directly printing insoluble oxides alongside H-ZSM-5 zeolite. The direct combination of metal oxides and HZSM-5 inks led to significant modification in surface properties and oxide bulk dispersion. The customized structured catalysts showed improved performance in n-hexane cracking reaction, making this research a breakthrough in material science.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Energy & Fuels
Fatima Magzoub, Shane Lawson, Fateme Rezaei, Ali A. Rownaghi
Summary: Additive manufacturing, also known as 3D printing, was used to produce customizable heterogeneous catalysts for the conversion of methanol into dimethyl ether. Among the catalysts tested, the one containing 4 wt % Ga2O3 alongside ZSM-5 showed the best performance at 200 degrees C, achieving 85% methanol conversion and 74% DME selectivity.
Article
Chemistry, Applied
Hojat Majedi Far, Shane Lawson, Qasim Al-Naddaf, Fateme Rezaei, Chariklia Sotiriou-Leventis, Ali A. Rownaghi
Summary: This study provides a comprehensive investigation into the structural and adsorptive properties of CO2-etched activated carbon, comparing it to other benchmark materials. It was found that the etched carbon exhibits a hierarchical porous structure with high adsorption capacities for multiple gases, showing excellent performance in dynamic CO2 adsorption.
MICROPOROUS AND MESOPOROUS MATERIALS
(2021)
Article
Energy & Fuels
Turki Alghamdi, Khaled S. Baamran, Monday U. Okoronkwo, Ali A. Rownaghi, Fateme Rezaei
Summary: In this study, the CO2 capture performance of potassium-promoted CaO double salts (K-Ca) was improved through metal doping with iron and indium at high temperatures. The results showed that metal doping not only enhances capture capacity but also improves the kinetics of CO2 adsorption and desorption. However, cyclic tests revealed a significant loss in CO2 uptake at high temperatures, indicating the need to address the performance-stability trade-off for K-Ca double salts.
Article
Energy & Fuels
Busuyi O. Adebayo, Han Yu, Ali A. Rownaghi, Xinhua Liang, Fateme Rezaei
Summary: In this study, a series of composite materials were prepared using ALD method for capture and destruction of VOCs. Among them, 1Pt2Ni/ZrSi showed relatively high conversion rate and its performance can be further improved by decreasing concentration and flow rate, and increasing temperature. These results provide optimal operational conditions for sequential adsorption and oxidation of VOCs.
Article
Chemistry, Physical
Shane Lawson, Khaled Baamran, Kyle Newport, Elijah Garcia, Gary Jacobs, Fateme Rezaei, Ali A. Rownaghi
Summary: In this study, cooperative bifunctional materials (BFMs) composed of adsorbent and catalyst materials were synthesized and evaluated for CO2 capture and propane dehydrogenation. The CaO-Mo@ZSM-5 material showed the best performance at 600 degrees C, with high propylene yield and CO2 conversion. The stability of this material was also tested and remained consistent across multiple cycles.
Article
Engineering, Chemical
Kyle Newport, Khaled Baamran, Ali A. Rownaghi, Fateme Rezaei
Summary: This study investigates the application of magnetic composite sorbents in biogas upgrading and examines the factors affecting the desorption rates and heating/cooling rates. The results indicate that the composite material with 20% Fe2O3 loading, produced using a layer-by-layer printing approach, performs the best. Induction heating shows advantages in efficiently regenerating the adsorbent.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2022)
Article
Chemistry, Multidisciplinary
Khaled Baamran, Ali A. Rownaghi, Fateme Rezaei
Summary: In this study, bifunctional adsorbent/catalyst materials (BFMs) consisting of CaO adsorbent with Cr2O3-V2O5/ZSM-5 catalysts were synthesized and shaped through additive manufacturing. The physical and chemical properties of structured CaO/Cr2O3-V2O5/ZSM-5 adsorbent/catalyst monoliths were characterized and evaluated. The effects of operating conditions on CO2 capture and selective formation of ethylene and hydrogen were investigated. The best performance was observed for CaO/Cr1-V3/ZSM-5 with balanced reaction pathways, resulting in high CO2 capture capacity, CO2 conversion, and selectivity for ethylene and syngas.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2023)
Article
Chemistry, Multidisciplinary
Khaled Baamran, Ali A. Rownaghi, Fateme Rezaei
Summary: Magnetic sorbents comprising iron oxide and zeolite13X were investigated for ethylene/ethane separation via a magnetic induction process. The C2H4/C2H6 selectivity ranged from 2.44 to 2.65 for all the magnetic sorbents. Fe3O4/13X exhibited significantly higher specific heat absorption rate and ethylene desorption rate compared to Fe2O3 and FeO. Fe3O4/13X showed potential as an effective magnetic sorbent in the MISA process.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2023)
Article
Nanoscience & Nanotechnology
Neila Pederneira, Kyle Newport, Shane Lawson, Ali A. Rownaghi, Fateme Rezaei
Summary: Biocompatible metal-organic frameworks (MOFs) are considered as potential nanocarriers for drug delivery due to their tunable physiochemical properties. This study investigated the impact of drug solubility on the pharmacokinetic release rate and delivery efficiency by loading ibuprofen, 5-fluorouracil, and curcumin onto Mg-MOF-74. The results showed that the release rate is directly influenced by the drug solubility and molecular size, and the release kinetics decreases with drug loading due to a shift in release mechanism.
ACS APPLIED BIO MATERIALS
(2023)
Article
Nanoscience & Nanotechnology
Turki Alghamdi, Peter O. Aina, Ali A. Rownaghi, Fateme Rezaei
Summary: Metal-organic frameworks (MOFs) have exceptional adsorption-based separation performance for various gases, ions, and liquids. This study investigated the iodide ion adsorption performance of two MOFs, Ni-MOF-74 and Zr-UiO-66, in the presence of interfering ions, and found that Ni-MOF-74 outperformed Zr-UiO-66 in immobilizing iodine from the solution. The adsorption kinetics involved external surface adsorption, intraparticle diffusion, and final equilibrium.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Engineering, Chemical
Khaled Baamran, Jimmy D. L. Moreno, Ali A. Rownaghi, Fateme Rezaei
Summary: Current sorbents for olefin/paraffin separation have low selectivity and lack multicomponent analysis. In this study, Fe2O3/13X composite sorbents were developed and their separation performance in binary, ternary, and multicomponent gas mixtures was evaluated. Fe-1(NPs)/13X demonstrated higher C2H4 adsorption capacity and selectivity, attributed to its higher surface electron transfer property and narrowed micropore channels.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2023)
Article
Materials Science, Multidisciplinary
Peter O. O. Aina, Sukanta K. K. Mondal, Joshua Costain, Ali A. A. Rownaghi, Fateme Rezaei
Summary: The design and development of polymeric composites that can effectively capture and destruct toxic chemicals with a fast detoxification rate is of high importance. Zr(OH)(4)-incorporated Ultem, Matrimid, and PIM-1 composites were synthesized and assessed for detoxification of DMNP. Increasing Zr(OH)(4) loading enhances the hydrolysis rate and the amount of DMNP converted for all three polymers. 30%-Zr(OH)(4)@PIM-1 exhibits the best performance with a hydrolysis rate of 5.5 x 10(-3) μmol/s at room temperature and achieves 100% conversion in 2 hours.
ACS APPLIED POLYMER MATERIALS
(2023)
Article
Energy & Fuels
Busuyi O. Adebayo, Han Yu, Ali A. Rownaghi, Xinhua Liang, Fateme Rezaei
Summary: A series of dual-function materials were prepared via atomic layer deposition method for the capture and destruction of volatile organic compounds. Among them, 1Pt2Ni/ZrSi showed a high conversion rate and its performance could be improved by adjusting the feed concentration, flow rate, and oxidation temperature.
Article
Nanoscience & Nanotechnology
Shane Lawson, Ali A. Rownaghi, Fateme Rezaei
Summary: Metal-organic frameworks are widely used as drug delivery platforms due to their textural properties and physiochemical tunability. In this study, Mg-MOF-74 was utilized for combined delivery of ibuprofen and curcumin, demonstrating the potential for dual-drug delivery. However, high curcumin loading may decrease drug loading efficiency for ibuprofen and inhibit its release. Overall, this study expands the use of MOFs for drug delivery applications and shows promise for supplemental drug administration via orally ingested tablets.
ACS APPLIED BIO MATERIALS
(2022)