Article
Engineering, Environmental
Conor Cleeton, Amir H. Farmahini, Lev Sarkisov
Summary: This study investigates how the uncertainty in equilibrium adsorption data and other properties of an adsorbent affects its ranking in carbon capture screening studies. By developing a probabilistic isotherm model and utilizing process optimization and surrogate models, the authors show that the performance of zeolite 13X is better represented by a cloud of possible Pareto fronts rather than a single Pareto front. These findings highlight the importance of considering material-level uncertainty when ranking materials for carbon capture.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Chemistry, Multidisciplinary
Wei-Hang Xie, Xiangyang Yao, Heng Li, Hong-Ru Li, Liang-Nian He
Summary: A biomass-based nitrogen-rich porous carbon material was prepared from soybean dregs waste and exhibited high CO2 adsorption capacity. The nitrogen content reached up to 4%, with different forms of nitrogen-containing groups in the carbon skeleton. The captured CO2 was activated and converted into valuable chemicals in mild conditions, demonstrating the efficient utilization of both solid waste and CO2.
Article
Chemistry, Physical
Zheng Wu, Xing-Hao Du, Qian-Feng Zhang, Maria Stromme, Chao Xu
Summary: This study introduces a new technique called solar thermal swing adsorption (STSA) which utilizes intermittent illumination on porous carbon monolith (PCM) sorbents to selectively adsorb and release CO2 during the CO2 capture process. The PCM sorbents have high CO2 adsorption capacity and selectivity, and when combined with vacuum swing adsorption, can achieve a high CO2 capture rate.
Article
Engineering, Environmental
Ali Zaker, Samia ben Hammouda, Jie Sun, Xiaolei Wang, Xia Li, Zhi Chen
Summary: Climate change poses a growing threat to civilization, primarily due to the increase in anthropogenic greenhouse gas emissions, particularly CO2. Efforts are being made globally to develop new and affordable strategies for reducing CO2 emissions. Carbon-based materials (CBMs) show promise for industrial applications in CO2 capture, as they are cost-effective, easily regenerated, and capable of physically absorbing significant amounts of CO2. This paper reviews recent progress in understanding the fundamental mechanism of CO2 capture using CBMs and discusses the design and synthesis of various CBMs for efficient CO2 adsorption. While advancements have been made, further research is still needed in this field, and sustainable CO2 capture development is discussed.
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING
(2023)
Article
Engineering, Chemical
Jinhao Li, Wunengerile Zhang, Agula Bao
Summary: In this study, hierarchical porous carbon materials double-doped with boron and nitrogen were synthesized using boric acid and ethylenediamine. The cooperative effect between the doped elements and the well-developed porous structure leads to excellent CO2 capture ability. The material also exhibited impressive cyclic stability, showing its feasibility for practical applications.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2021)
Article
Energy & Fuels
Erman Taer, Apriwandi Apriwandi, Agustino Agustino, Mega Ratna Dewi, Rika Taslim
Summary: This study successfully developed a new type of biomass-based porous activated carbon nanostructures electrode, which possesses high specific surface area and excellent electrochemical performance.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2022)
Article
Nanoscience & Nanotechnology
Joelle Medinger, Kyung Seob Song, Pacifique Umubyeyi, Ali Coskun, Marco Lattuada
Summary: In this study, anisotropic structure of porous carbons was achieved by integrating superparamagnetic colloids and applying a uniform magnetic field during the sol-gel transition. The resulting hierarchically porous carbon monoliths showed higher porosity, higher CO2 uptake capacity, and faster adsorption kinetics compared to those synthesized without a magnetic field. Additionally, these materials were found to be effective magnetic sorbents for oil-spill cleanup.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Multidisciplinary
Bin Zhao, Maryam Borghei, Tao Zou, Ling Wang, Leena-Sisko Johansson, Johanna Majoinen, Mika H. Sipponen, Monika Osterberg, Bruno D. Mattos, Orlando J. Rojas
Summary: Carbon supraparticles with hierarchical porous structures are synthesized from lignin and cellulose nanofibrils. These carbon SPs exhibit high mechanical strength, large surface area, and excellent CO2 adsorption capabilities with low pressure drop, addressing limitations in mass transport and kinetics often found in nanoparticle-based systems. Additionally, the carbon SPs do not require heteroatom doping for effective CO2 uptake and can be easily regenerated for multiple adsorption/desorption cycles, making them cost-effective and highly efficient for gas sorption and capture.
Article
Chemistry, Multidisciplinary
Jocasta Avila, L. Fernando Lepre, Catherine C. Santini, Martin Tiano, Sandrine Denis-Quanquin, Kai Chung Szeto, Agilio A. H. Padua, Margarida Costa Gomes
Summary: Porous ionic liquids based on ZIF-8 and phosphonium salts show increased carbon dioxide absorption capacity at low pressures. By combining MOFs with ionic liquids, the absorption of carbon dioxide can be greatly enhanced, leading to the development of high-performance liquid materials for effective low pressure carbon capture.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Analytical
Punchaluck Sirinwaranon, Viboon Sricharoenchaikul, Supawan Vichaphund, Kanit Soongprasit, Mana Rodchom, Panida Wimuktiwan, Duangduen Atong
Summary: This research aims to synthesize and characterize CO2 adsorbent materials using waste tires as a precursor. Through thermal and chemical methods, fine black powder derived from waste tires was impregnated with polyethyleneimine (PEI) to produce porous carbon materials. The resulting PEI-PCM showed good adsorption capacity for CO2 at 75 degrees Celsius.
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
(2023)
Article
Nanoscience & Nanotechnology
Peitao Xie, Yuan Liu, Mei Feng, Mang Niu, Chunzhao Liu, Nannan Wu, Kunyan Sui, Rahul Rangrao Patil, Duo Pan, Zhanhu Guo, Runhua Fan
Summary: This study prepared Co/C nanocomposites with Co nanoparticles uniformly distributed in amorphous carbon sheets, achieving excellent absorption performance through hierarchical porous microstructures. Excellent absorption performance was achieved at 10% and 15% Co/C content levels, providing a new pathway for designing ultralight absorbers.
ADVANCED COMPOSITES AND HYBRID MATERIALS
(2021)
Article
Chemistry, Multidisciplinary
Narges Mokhtarinori, Zhenzhen Yang, Sheng Dai
Summary: Porous liquids (PLs) are a promising category of sorbents in carbon capture and separation, integrating the advantages of flowing liquid and porous solid systems. Various methods have been used to engineer pores into liquid sorbents. PLs have shown significant progress and potential in carbon capture and separation.
CURRENT OPINION IN GREEN AND SUSTAINABLE CHEMISTRY
(2022)
Review
Chemistry, Multidisciplinary
Xu Liu, Cheng-Fang Liu, Shihao Xu, Tao Cheng, Shi Wang, Wen-Yong Lai, Wei Huang
Summary: In order to address global warming and fossil fuel shortages, it is necessary to develop environmentally friendly and sustainable renewable energy technologies. Supercapacitors bridge the performance gap between electrostatic double-layer capacitors and batteries by storing energy from electrochemical processes at the electrode surface. Organic electrode materials, particularly porous organic polymers (POPs), have drawn extensive attention due to their special characteristics and potential for use in supercapacitors.
CHEMICAL SOCIETY REVIEWS
(2022)
Article
Engineering, Chemical
Huiting Xu, Meng Li, Siqi Gong, Fan Zhao, Yuexin Yan, Chunli Li, Junjie Qi, Zhiying Wang, Yuqi Hu, Honghai Wang, Xiaobin Fan, Wenchao Peng, Jiapeng Liu
Summary: In this study, nitrogen and fluorine co-doped porous carbon nanosheets (N, F@CNs) were synthesized and found to exhibit excellent salt adsorption capacity and cycling stability, providing a new approach for designing carbon-based materials with superior performance for capacitive deionization.
Article
Chemistry, Multidisciplinary
Xin-Yu Lu, Hao Luo, Kai Wang, Yao-Yao Zhang, Xiao-Feng Zhu, Dongxue Li, Bingze Ma, Shisheng Xiong, Paul F. Nealey, Qiang Li, Guang-Peng Wu
Summary: Researchers have developed a sustainable dual-tone resist, CO2-PCs, which exhibit high sensitivity and good line edge roughness to electron beam lithography. The resist has been successfully applied in the fabrication of 2D photonic crystal devices, showing great practical potential.
ADVANCED FUNCTIONAL MATERIALS
(2021)
Article
Engineering, Chemical
Roberto Mennitto, Ishan Sharma, Stefano Brandani
Summary: This study presents a systematic approach to analyze the performance of extruded monoliths, including the evaluation of HETP correlation and pressure drop correlation. The proposed method has been validated and proven to be accurate.
Article
Engineering, Chemical
Enzo Mangano, Stefano Brandani
Summary: Experimental measurements of CO2 diffusion in Na,Cs-Rho crystals were used as a case study to determine the time constant of a very slow adsorption process. The analysis of ZLC desorption curves was refined by using a nonlinear ZLC model to account for isotherm nonlinearity, resulting in concentration dependent diffusivity. Cavalcante's method was also used to confirm the 3-D diffusion path of the system.
BRAZILIAN JOURNAL OF CHEMICAL ENGINEERING
(2022)
Article
Thermodynamics
Stefano Brandani, Enzo Mangano
Summary: This study proposed a new method to more effectively determine the mass transfer coefficient of water in commercial silica-gel, providing important insights for optimizing design and ultra-low grade heat applications. Experimental results showed that equilibrium isotherms could be quickly obtained under equilibrium conditions, while the system operated under kinetic control at high flowrates. The determination of mass transfer coefficient through kinetic responses revealed that surface diffusion was the main contribution to the transport process.
Article
Chemistry, Physical
Seyed Mohamad Moosavi, Balazs Almos Novotny, Daniele Ongari, Elias Moubarak, Mehrdad Asgari, Oezge Kadioglu, Charithea Charalambous, Andres Ortega-Guerrero, Amir H. Farmahini, Lev Sarkisov, Susana Garcia, Frank Noe, Berend Smit
Summary: A machine learning approach has been developed to accurately predict the heat capacity of materials such as zeolites, metal-organic frameworks, and covalent-organic frameworks, providing an important theoretical basis for carbon capture applications.
Article
Engineering, Environmental
Zijun Deng, Arun Gopalan, Lev Sarkisov
Summary: In this article, a multiscale computational framework is used to design zeolites with competitive performance in post-combustion carbon capture. The properties of the LTA zeolite were modified to produce a wide range of isotherms for carbon capture. Molecular simulations showed that the engineered zeolites could meet the standard requirements for CO2 purity and recovery. The performance of these zeolites can be further improved by modifying the cation composition.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Thermodynamics
O. Angelidis, A. Ioannou, D. Friedrich, A. Thomson, G. Falcone
Summary: Decarbonising the thermal grid by combining sectors and energy storage is essential for affordability and security. This study evaluates the opportunities and barriers related to district heating and cooling networks with decentralised energy substations. Findings suggest the need for high seasonal demand and efficient coordination for cost reduction and grid stability.
Article
Multidisciplinary Sciences
Felipe Lopes Oliveira, Conor Cleeton, Rodrigo Neumann Barros Ferreira, Binquan Luan, Amir H. Farmahini, Lev Sarkisov, Mathias Steiner
Summary: Grand Canonical Monte Carlo is an important method for molecular-level simulations and assisting the development of nanoporous materials for gas capture. The choice of force field parameters and partial charges can greatly impact the results, but there are few databases available for comprehensive evaluation. This study presents a database of simulations on metal-organic frameworks to provide a comprehensive evaluation of adsorption isotherms.
Article
Engineering, Chemical
Stylianos Kalaitzopoulos, Enzo Mangano, Stefano Brandani
Summary: The ZLC technique is a powerful method for measuring diffusion in nanoporous materials using small samples. A methodology has been developed to determine average properties and variability of equilibrium and kinetic properties through single pellet experiments. By using n-pentane on HISIV3000 extrudates as a test system, the results showed a perfect match to breakthrough column experiments with a sample two orders of magnitudes larger.
CHEMIE INGENIEUR TECHNIK
(2023)
Article
Chemistry, Physical
Tianmu Yuan, Maria Grazia De Angelis, Lev Sarkisov
Summary: The Robeson bound applies only to kinetics-driven membrane separations, not sorption-driven membrane processes like CO2/N-2 separation, which lacks a theoretical explanation. To understand the limiting behavior of sorption-driven separations, we used a lattice model and mean field theory to study the transport properties of disordered model structures. Our findings show that transport effects are crucial in sorption-driven processes, and perm-selectivity is consistently lower than sorption selectivity, which is an unattainable limit. We explained how transport effects emerge and manifest in sorption-driven processes using basic geometric fragments of the structure.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Energy & Fuels
Sajid Mehmood, Jesus Lizana, Daniel Friedrich
Summary: This study proposes a novel low-energy and resilient cooling solution for extremely hot climates in southern Asia, combining geothermal heat dissipation and latent heat storage. Numerical analysis shows that integrating PCM-based ceiling panels with geothermal heat dissipation can reduce discomfort hours and extend thermal comfort periods, especially in areas with intermittent access to electricity.
JOURNAL OF ENERGY STORAGE
(2023)
Article
Chemistry, Multidisciplinary
Conor Cleeton, Felipe Lopes de Oliveira, Rodrigo F. Neumann, Amir H. Farmahini, Binquan Luan, Mathias Steiner, Lev Sarkisov
Summary: The extent to which the ranking of metal organic frameworks (MOFs) for adsorption-based carbon capture and the selection of top performers identified in Pressure Swing Adsorption (PSA) process modelling depend on the choice of forcefields is investigated. CO2 and N-2 adsorption isotherms in 690 MOFs are generated using six typical forcefields, and a systematic uncertainty quantification study is conducted using PSA process-level modelling. The results show that the ranking of MOFs significantly depends on the choice of forcefield, with partial charge assignment being the main source of uncertainty.
ENERGY & ENVIRONMENTAL SCIENCE
(2023)
Article
Multidisciplinary Sciences
Maximilian Parzen, Martin Kittel, Daniel Friedrich, Aristides Kiprakis
Summary: Energy system models are important for policy decisions and technology designs, but their misuse can lead to implausible outputs and mislead decision-making. Through 124 simulations, we explore the impact of variable cost allocation and solver accuracy on unintended storage cycling, and provide recommendations to reduce its occurrence.
Article
Thermodynamics
Stefano Brandani, Enzo Mangano, Giulio Santori
Summary: Water/AQSOA-FAM-Z02 adsorption equilibrium data were measured under different temperature and humidity conditions using two gravimetric systems. The data conformed to a type IV adsorption isotherm and were correlated with the Rigid Adsorbent Lattice Fluid dual site model, which accurately reproduced the experimental results and provided a description of the system for adsorption process simulations.
JOURNAL OF CHEMICAL AND ENGINEERING DATA
(2022)