Arvind Rajendran
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View article: Identification of Metal–Organic Frameworks for near Practical Energy Limit CO<sub>2</sub> Capture from Wet Flue Gases: An Integrated Atomistic and Process Simulation Screening of Experimental MOFs
Identification of Metal–Organic Frameworks for near Practical Energy Limit CO<sub>2</sub> Capture from Wet Flue Gases: An Integrated Atomistic and Process Simulation Screening of Experimental MOFs Open
Metal-organic framework (MOF) materials have attracted significant attention as solid sorbents for low energy CO2 capture with adsorption-based gas separation processes. In this work, an integrated screening workflow combining a series of …
View article: A simplified digital twin of a pressure swing adsorption plant for air separation
A simplified digital twin of a pressure swing adsorption plant for air separation Open
The pressure swing adsorption (PSA) process is one of the widely utilized techniques for air separation. Operating on the Skarstrom cycle, the porous adsorbent columns of a PSA system alternate between adsorption and desorption phases to s…
View article: Identification of metal-organic frameworks for near practical energy limit CO2 capture from wet flue gases: an integrated atomistic and process simulation screening of experimental MOFs
Identification of metal-organic frameworks for near practical energy limit CO2 capture from wet flue gases: an integrated atomistic and process simulation screening of experimental MOFs Open
Metal-organic framework (MOF) materials have attracted significant attention as solid sorbents for low energy CO2 capture with adsorption-based gas separation processes. In this work, an integrated screening workflow combining a series of …
View article: How do ambient conditions influence sorbent selection in adsorption-based direct air capture?
How do ambient conditions influence sorbent selection in adsorption-based direct air capture? Open
This study introduces a simplified, time-dependent, zero-dimension DAC model to optimise sorbent selection based on varying ambient conditions.
View article: Diffusion in nanoporous materials with special consideration of the measurement of determining parameters (IUPAC Technical Report)
Diffusion in nanoporous materials with special consideration of the measurement of determining parameters (IUPAC Technical Report) Open
The random motion (the diffusion) of guest molecules in nanoporous host materials is key to their manifold technological applications and, simultaneously, a ubiquitous phenomenon in nature quite in general. Based on a specification of the …
View article: Binary CO2/H2O adsorption on CO2 capture metal-organic frameworks CALF-20, Al-Fumarate and CAU-10H using microscale dynamic column breakthrough
Binary CO2/H2O adsorption on CO2 capture metal-organic frameworks CALF-20, Al-Fumarate and CAU-10H using microscale dynamic column breakthrough Open
This study reports the development of a quantitative microscale dynamic column breakthrough instrument to measure the competitive equilibrium loadings of CO2 and H2O isotherms on small quantities (≈ 200 mg) of metal-organic framework (MOF)…
View article: Steam adsorption equilibrium data at 110°C on an activated carbon, Lewatit VP OC 1065, and CALF-20 using a microscale dynamic column breakthrough apparatus
Steam adsorption equilibrium data at 110°C on an activated carbon, Lewatit VP OC 1065, and CALF-20 using a microscale dynamic column breakthrough apparatus Open
Steam adsorption equilibrium data is important for many carbon capture applications, including direct-air capture, point-source, and pre-combustion carbon capture. However, there is a dearth of concentrated unary equilibrium data for H2O a…
View article: Competitive CO2/H2O Adsorption on CALF-20
Competitive CO2/H2O Adsorption on CALF-20 Open
The equilibrium and breakthrough studies of the H2O adsorption and the competition of CO2/H2O on a physisorbent MOF CALF-20, commercialized for CO2 capture from cement plants, are reported. Volumetric measurements and thermogravimetry were…
View article: Process-performance of solid sorbents for Direct Air Capture (DAC) of CO2 in optimized temperature-vacuum swing adsorption (TVSA) cycles
Process-performance of solid sorbents for Direct Air Capture (DAC) of CO2 in optimized temperature-vacuum swing adsorption (TVSA) cycles Open
The process performance of five solid sorbents was evaluated for direct air capture (DAC) of CO2 in temperature-vacuum swing adsorption (TVSA) and steam-assisted temperature vacuum swing adsorption (s-TVSA) cycles via detailed process mode…
View article: The Challenge of Water Competition in Physical Adsorption of CO<sub>2</sub> by Porous Solids for Carbon Capture Applications – A Short Perspective
The Challenge of Water Competition in Physical Adsorption of CO<sub>2</sub> by Porous Solids for Carbon Capture Applications – A Short Perspective Open
With ever‐increasing efforts to design sorbent materials to capture carbon dioxide from flue gas and air, this perspective article is provided based on nearly a decade of collaboration across science, engineering, and industry partners. A …
View article: Evaluation of a tetramine-appended MOF for post-combustion CO2 capture from natural gas combined cycle flue gas by steam-assisted temperature swing adsorption
Evaluation of a tetramine-appended MOF for post-combustion CO2 capture from natural gas combined cycle flue gas by steam-assisted temperature swing adsorption Open
A novel tetraamine-appended metal-organic framework (MOF), exhibiting double- stepped isotherm was explored in a 3-step steam-assisted temperature swing adsorption process (SA-TSA) for CO2 removal from dry flue gas emitted from natural gas…
View article: Can a computer “learn” non-linear chromatography?: Experimental validation of physics-based deep neural networks for the simulation of chromatographic processes
Can a computer “learn” non-linear chromatography?: Experimental validation of physics-based deep neural networks for the simulation of chromatographic processes Open
This article presents the capabilities of machine learning in addressing the challenges related to the accurate description of adsorption equilibria in the design of chromatographic processes. Our previously developed physics-based artific…
View article: Can a computer “learn” non-linear chromatography?: Experimental validation of physics-based deep neural networks for the simulation of chromatographic processes
Can a computer “learn” non-linear chromatography?: Experimental validation of physics-based deep neural networks for the simulation of chromatographic processes Open
This article presents the capabilities of machine learning in addressing the challenges related to the accurate description of adsorption equilibria in the design of chromatographic processes. Our previously developed physics-based artific…
View article: Post-Combustion CO2 capture by vacuum swing adsorption using a hydrophobic metal-organic framework (MOF), CALF-20: Multi-objective optimization and experimental validation
Post-Combustion CO2 capture by vacuum swing adsorption using a hydrophobic metal-organic framework (MOF), CALF-20: Multi-objective optimization and experimental validation Open
In this paper, the ability of CALF-20, a hydrophobic metal-organic framework (MOF), to capture CO2 from dry flue gas (15/85 mol% of CO2/N2) using two different adsorption configurations, basic four-step vacuum swing adsorption (VSA), and f…
View article: Optimization of pressure-vacuum swing adsorption processes for nitrogen rejection from natural gas streams using a nitrogen selective metal organic framework
Optimization of pressure-vacuum swing adsorption processes for nitrogen rejection from natural gas streams using a nitrogen selective metal organic framework Open
A vanadium(II/III) metal-organic organic framework (MOF), V2Cl2.8(btdd), that is selective to CH4 over N2 was recently discovered. Process optimizations were performed to determine the performance of this MOF to reach the pipeline transpor…
View article: Physics-based neural networks for simulation and synthesis of cyclic adsorption processes
Physics-based neural networks for simulation and synthesis of cyclic adsorption processes Open
A computationally faster and reliable modelling approach called a physics-based artificial neural network framework for adsorption and chromatography emulation (PANACHE) is developed. PANACHE uses deep neural networks for cycle synthesis a…
View article: A quantitive microscale dynamic column breakthrough apparatus for measurement of unary and binary adsorption equilibrium on milligram quantities of adsorbent
A quantitive microscale dynamic column breakthrough apparatus for measurement of unary and binary adsorption equilibrium on milligram quantities of adsorbent Open
A microscale dynamic column breakthrough (μDCB) apparatus with the ability to measure unary and binary adsorption equilibrium on a milligram-scale quantity of adsorbent is described. The μDCB is a low cost system that can be constructed th…
View article: Experimental validation of an adsorbent-agnostic artificial neural network (ANN) framework for the design and optimization of cyclic adsorption processes
Experimental validation of an adsorbent-agnostic artificial neural network (ANN) framework for the design and optimization of cyclic adsorption processes Open
The efficacy of an adsorbent agnostic machine-learning surrogate model for rapid design and optimization of a Skarstrom cycle vacuum swing adsorption (VSA) process is experimentally validated. The surrogate model is trained to predict the …
View article: Physics-based neural networks for simulation and synthesis of cyclic adsorption processes
Physics-based neural networks for simulation and synthesis of cyclic adsorption processes Open
A computationally faster and reliable modelling approach called a physics-based artificial neural network framework for adsorption and chromatography emulation (PANACHE) is developed. PANACHE uses deep neural networks for cycle synthesis a…
View article: How much can novel solid sorbents reduce the cost of post-combustion CO2 capture? A techno-economic investigation on the cost limits of pressure-vacuum swing adsorption
How much can novel solid sorbents reduce the cost of post-combustion CO2 capture? A techno-economic investigation on the cost limits of pressure-vacuum swing adsorption Open
This paper focuses on identifying the cost limits of two single-stage pressure-vacuum swing adsorption (PVSA) cycles for post-combustion CO2 capture if the ``ideal'' zero-cost adsorbent can be discovered. Through an integrated techno-econo…
View article: How much can novel solid sorbents reduce the cost of post-combustion CO2 capture? A techno-economic investigation on the cost limits of pressure-vacuum swing adsorption
How much can novel solid sorbents reduce the cost of post-combustion CO2 capture? A techno-economic investigation on the cost limits of pressure-vacuum swing adsorption Open
This paper focuses on identifying the cost limits of two single-stage pressure-vacuum swing adsorption (PVSA) cycles for post-combustion CO2 capture if the ``ideal'' zero-cost adsorbent can be discovered. Through an integrated techno-econo…
View article: How much can novel solid sorbents reduce the cost of post-combustion CO2 capture? A techno-economic investigation on the cost limits of pressure-vacuum swing adsorption
How much can novel solid sorbents reduce the cost of post-combustion CO2 capture? A techno-economic investigation on the cost limits of pressure-vacuum swing adsorption Open
This paper focuses on identifying the cost limits of two single-stage pressure-vacuum swing adsorption (PVSA) cycles for post-combustion CO2 capture if the ``ideal'' zero-cost adsorbent can be discovered. Through an integrated techno-econo…