ORCID Profile
0000-0003-3178-5480
Current Organisation
KU Leuven
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Publisher: American Chemical Society (ACS)
Date: 28-05-2019
DOI: 10.26434/CHEMRXIV.8181704.V1
Abstract: An effective separation of propylene ropane mixtures is one of the most important processes in the petrochemical industry. Incidentally this separation is challenging due to the extensive similarities between both gases in terms of physicochemical properties such as, but not only limited to, boiling point, kinetic diameter and molecular weight. A drive to switch to less energy consuming processes, like adsorption or membrane separation, has highlighted several microporous metal organic frameworks as promising materials. In this work, we present a combined numerical and experimental investigation on propane and propylene adsorption in Zr-fumarate-MOF (also known as MOF-801), a small pore isoreticular analogue of UiO-66. Here, we demonstrate how the presence of structural defects can completely change the sorptive properties and separation performance of the Zr-fumarate-MOF, with enhanced capacity and gas diffusion rates for C3-sized hydrocarbons at the cost of kinetic selectivity. Extensive GCMC simulations performed on mixed defective supercells show that a percentage of missing cluster defects of around 1/8 th can best account for the experimental results. Furthermore, analysis of low-frequency phonon spectra is used to explain gaseous diffusion in the original pristine material. A slight preference for propane over propylene is highlighted in the defective s le, and confirmed through column breakthrough experiments, suggesting the potential applicability of the Zr-fumarate-MOF in this challenging separation.
Publisher: Royal Society of Chemistry (RSC)
Date: 2017
DOI: 10.1039/C7CS00122C
Abstract: This review highlights the steps needed to bring the properties of MOFs from the chemical lab to the microelectronics fab.
Publisher: American Chemical Society (ACS)
Date: 27-08-2019
DOI: 10.26434/CHEMRXIV.8181704.V2
Abstract: An effective separation of propylene ropane mixtures is one of the most important processes in the petrochemical industry. Incidentally this separation is challenging due to the extensive similarities between both gases in terms of physicochemical properties such as, but not only limited to, boiling point, kinetic diameter and molecular weight. A drive to switch to less energy consuming processes, like adsorption or membrane separation, has highlighted several microporous metal organic frameworks as promising materials. In this work, we present a combined numerical and experimental investigation on propane and propylene adsorption in Zr-fumarate-MOF (also known as MOF-801), a small pore isoreticular analogue of UiO-66. Here, we demonstrate how the presence of structural defects can completely change the sorptive properties and separation performance of the Zr-fumarate-MOF, with enhanced capacity and gas diffusion rates for C3-sized hydrocarbons at the cost of kinetic selectivity. Extensive GCMC simulations performed on mixed defective supercells show that a percentage of missing cluster defects of around 1/8 th can best account for the experimental results. Furthermore, analysis of low-frequency phonon spectra is used to explain gaseous diffusion in the original pristine material. A slight preference for propane over propylene is highlighted in the defective s le, and confirmed through column breakthrough experiments, suggesting the potential applicability of the Zr-fumarate-MOF in this challenging separation.
Publisher: Royal Society of Chemistry (RSC)
Date: 2019
DOI: 10.1039/C9CC05161A
Abstract: Vapour-phase deposition of copper dicarboxylate metal–organic framework thin films with an out-of-plane orientation and accessible porosity.
Publisher: American Chemical Society (ACS)
Date: 20-02-2015
DOI: 10.1021/CM504806P
Publisher: Elsevier BV
Date: 2016
Publisher: American Chemical Society (ACS)
Date: 26-05-2021
DOI: 10.26434/CHEMRXIV.14291644
Abstract: Porosity and surface area analysis play a prominent role in modern materials science, where 123 their determination spans the fields of natural sciences, engineering, geology and medical 124 research. At the heart of this sits the Brunauer-Emmett-Teller (BET) theory,[1] which has been 125 a remarkably successful contribution to the field of materials science. The BET method was 126 developed in the 1930s and is now the most widely used metric for the estimation of surface 127 areas of porous materials.[2] Since the BET method was first developed, there has been an 128 explosion in the field of nanoporous materials with the discovery of synthetic zeolites,[3] 129 nanostructured silicas,[4–6] metal-organic frameworks (MOFs),[7] and others. Despite its 130 widespread use, the manual calculation of BET surface areas causes a significant spread in 131 reported areas, resulting in reproducibility problems in both academia and industry. To probe 132 this, we have brought together 60 labs with strong track records in the study of nanoporous 133 materials. We provided eighteen adsorption isotherms and asked these researchers to 134 calculate the corresponding BET areas, resulting in a wide range of values for each one. We 135 show here that the reproducibility of BET area determination from identical isotherms is a 136 largely ignored issue, raising critical concerns over the reliability of reported BET areas in 137 the literature. To solve this major issue, we have developed a new computational approach 138 to accurately and systematically determine the BET area of nanoporous materials. Our 139 software, called BET Surface Identification (BETSI), expands on the well-known Rouquerol 140 criteria and makes, for the first time, an unambiguous BET area assignment possible.
Publisher: American Chemical Society (ACS)
Date: 27-08-2019
DOI: 10.26434/CHEMRXIV.8181704
Abstract: An effective separation of propylene ropane mixtures is one of the most important processes in the petrochemical industry. Incidentally this separation is challenging due to the extensive similarities between both gases in terms of physicochemical properties such as, but not only limited to, boiling point, kinetic diameter and molecular weight. A drive to switch to less energy consuming processes, like adsorption or membrane separation, has highlighted several microporous metal organic frameworks as promising materials. In this work, we present a combined numerical and experimental investigation on propane and propylene adsorption in Zr-fumarate-MOF (also known as MOF-801), a small pore isoreticular analogue of UiO-66. Here, we demonstrate how the presence of structural defects can completely change the sorptive properties and separation performance of the Zr-fumarate-MOF, with enhanced capacity and gas diffusion rates for C3-sized hydrocarbons at the cost of kinetic selectivity. Extensive GCMC simulations performed on mixed defective supercells show that a percentage of missing cluster defects of around 1/8 sup th /sup can best account for the experimental results. Furthermore, analysis of low-frequency phonon spectra is used to explain gaseous diffusion in the original pristine material. A slight preference for propane over propylene is highlighted in the defective s le, and confirmed through column breakthrough experiments, suggesting the potential applicability of the Zr-fumarate-MOF in this challenging separation. br
Publisher: Springer Science and Business Media LLC
Date: 26-10-2020
Publisher: Wiley
Date: 02-05-2023
Abstract: Micropatterning crystalline materials with oriented pores is necessary for the fabrication of devices with anisotropic properties. Crystalline and porous metal–organic frameworks (MOFs) are ideal materials as their chemical and structural mutability enables precise tuning of functional properties for applications ranging from microelectronics to photonics. Herein, a patternable oriented MOF film is designed: by using a photomask under X‐ray exposure, the MOF film decomposes in the irradiated areas, remaining intact in the unexposed regions. The MOF film acts simultaneously as a resist and as functional porous material. While the heteroepitaxial growth from aligned Cu(OH) 2 nanobelts is used to deposit oriented MOF films, the sensitivity to radiation is achieved by integrating a brominated dicarboxylate ligand (Br 2 BDC) into a copper‐based MOF Cu 2 L 2 DABCO (DABCO = 1,4‐diazabicyclo[2.2.2]octane L = BDC/Br 2 BDC). The lithographed s les act as diffraction gratings upon irradiation with a laser, thus confirming the quality of the extended MOF micropattern. Furthermore, the oriented MOF patterns are functionalized with fluorescent dyes. As a result, by rotating the polarization angle of the laser excitation, the alignment of the dye in the MOF is demonstrated. By controlling the functional response to light, this MOF patterning protocol can be used for the microfabrication of optical components for photonic devices.
Publisher: American Chemical Society (ACS)
Date: 08-07-2019
DOI: 10.26434/CHEMRXIV.8792171.V1
Abstract: Copper dicarboxylate metal-organic framework films are deposited via chemical vapour deposition. Uniform films of CuBDC and CuCDC with an out-of-plane orientation and accessible porosity are obtained from the reaction of Cu and CuO with vaporised dicarboxylic acid linkers.
Publisher: American Chemical Society (ACS)
Date: 18-09-2019
Publisher: American Chemical Society (ACS)
Date: 26-05-2021
DOI: 10.26434/CHEMRXIV.14291644.V2
Abstract: Porosity and surface area analysis play a prominent role in modern materials science, where 123 their determination spans the fields of natural sciences, engineering, geology and medical 124 research. At the heart of this sits the Brunauer-Emmett-Teller (BET) theory,[1] which has been 125 a remarkably successful contribution to the field of materials science. The BET method was 126 developed in the 1930s and is now the most widely used metric for the estimation of surface 127 areas of porous materials.[2] Since the BET method was first developed, there has been an 128 explosion in the field of nanoporous materials with the discovery of synthetic zeolites,[3] 129 nanostructured silicas,[4–6] metal-organic frameworks (MOFs),[7] and others. Despite its 130 widespread use, the manual calculation of BET surface areas causes a significant spread in 131 reported areas, resulting in reproducibility problems in both academia and industry. To probe 132 this, we have brought together 60 labs with strong track records in the study of nanoporous 133 materials. We provided eighteen adsorption isotherms and asked these researchers to 134 calculate the corresponding BET areas, resulting in a wide range of values for each one. We 135 show here that the reproducibility of BET area determination from identical isotherms is a 136 largely ignored issue, raising critical concerns over the reliability of reported BET areas in 137 the literature. To solve this major issue, we have developed a new computational approach 138 to accurately and systematically determine the BET area of nanoporous materials. Our 139 software, called BET Surface Identification (BETSI), expands on the well-known Rouquerol 140 criteria and makes, for the first time, an unambiguous BET area assignment possible.
Publisher: American Chemical Society (ACS)
Date: 31-03-2021
DOI: 10.26434/CHEMRXIV.14291644.V1
Abstract: Porosity and surface area analysis play a prominent role in modern materials science, where 123 their determination spans the fields of natural sciences, engineering, geology and medical 124 research. At the heart of this sits the Brunauer-Emmett-Teller (BET) theory,[1] which has been 125 a remarkably successful contribution to the field of materials science. The BET method was 126 developed in the 1930s and is now the most widely used metric for the estimation of surface 127 areas of porous materials.[2] Since the BET method was first developed, there has been an 128 explosion in the field of nanoporous materials with the discovery of synthetic zeolites,[3] 129 nanostructured silicas,[4–6] metal-organic frameworks (MOFs),[7] and others. Despite its 130 widespread use, the manual calculation of BET surface areas causes a significant spread in 131 reported areas, resulting in reproducibility problems in both academia and industry. To probe 132 this, we have brought together 60 labs with strong track records in the study of nanoporous 133 materials. We provided eighteen adsorption isotherms and asked these researchers to 134 calculate the corresponding BET areas, resulting in a wide range of values for each one. We 135 show here that the reproducibility of BET area determination from identical isotherms is a 136 largely ignored issue, raising critical concerns over the reliability of reported BET areas in 137 the literature. To solve this major issue, we have developed a new computational approach 138 to accurately and systematically determine the BET area of nanoporous materials. Our 139 software, called BET Surface Identification (BETSI), expands on the well-known Rouquerol 140 criteria and makes, for the first time, an unambiguous BET area assignment possible.
Publisher: Wiley
Date: 27-08-2018
Location: United States of America
No related grants have been discovered for Rob Ameloot.