Article
Engineering, Environmental
Valentina Bernal, Liliana Giraldo, Juan Carlos Moreno-Pirajan
Summary: This study investigated the interactions between paracetamol and activated carbon, as well as their impact on adsorption capacity. By modifying the physicochemical properties of activated carbon, it was found that an increase in basic groups led to a decrease in relative kinetic constants. The adsorption capacities varied under different solvent conditions, indicating the importance of chemical interactions in the adsorption process.
JOURNAL OF HAZARDOUS MATERIALS
(2021)
Article
Chemistry, Physical
Kengo Nishi, Takeru Uchikoshi, Jun Yamazaki, Yuki Nakashima, Katsuaki Tanabe
Summary: Numerical modelling of hydrogen transport is effective for designing and optimizing energy systems. The proposed kinetic model accurately simulates hydrogen absorption and desorption in metals, and its validity is verified.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Engineering, Environmental
Ulrich Legrand, Juan Ricardo Castillo Sanchez, Richard Boudreault, Jean-Luc Meunier, Pierre-LucGirard Lauriault, Jason Robert Tavares
Summary: This study assessed and compared the thermodynamic properties of different sorbents and found that carbon-based sorbents and MOFs had lower sorbent-adsorbate interactions and were suitable for adsorption steps with less heat release. NPS and Cr-MIL-101 showed entropic advantages for water recovery/removal. The results highlight the importance of enthalpy and entropy in selecting favorable conditions for adsorption-desorption cycles.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Engineering, Environmental
F. Delachaux, E. P. Hessou, C. Vallires, H. Monnier, M. Badawi
Summary: This study aimed to validate a methodology based on periodic dispersion-corrected Density Functional Theory (DFT) to screen solid-phase materials for their gas adsorption efficiency. The results of the DFT method were compared with experimental adsorption isotherms, showing a close correlation and indicating its potential for classifying solid-phase gas adsorbents for occupational risk prevention.
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING
(2023)
Article
Chemistry, Physical
Iilhan Kosan, Gokce Ustunisik, Muserref Onal, Yuksel Sarikaya, Pinar Acar Bozkurt
Summary: This study investigated the surface area and pore volume of bottom ash from an asphaltite deposit in Sirnak, Turkey using nitrogen adsorption/desorption isotherms. The results showed that chemical adsorption was more effective than physical adsorption at different temperatures, with overall and chemical adsorption capacities increasing with temperature while physical adsorption capacity decreased. Thermodynamic evaluation revealed changes in enthalpy and entropy for ammonia adsorption, with a decrease in endothermic chemical adsorption and an increase in exothermic physical adsorption as temperature increased.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2021)
Article
Engineering, Chemical
Edwin A. Alarcon, Aida Luz Villa
Summary: The curvature in the Arrhenius plot for nopol production was analyzed using a dual site model, and a rate law was obtained. The rate law parameters were estimated using mathematical calculations based on the curvature of the Arrhenius plot. A proposed routine was used for final calculations, and the parameters for nopol synthesis were determined.
CHEMICAL ENGINEERING SCIENCE
(2022)
Article
Chemistry, Multidisciplinary
Haocheng Xiong, Qiwen Sun, Kedang Chen, Yifei Xu, Xiaoxia Chang, Qi Lu, Bingjun Xu
Summary: Researchers have developed a method to determine the standard adsorption enthalpy of CO on Cu surfaces using quantitative surface enhanced infrared absorption spectroscopy. The results show that on dendritic Cu at -0.75 V vs. SHE, the standard adsorption enthalpy, entropy and Gibbs free energy are 1.5 kJ mol(-1), 37.9 J/(mol K), and -9.8 kJ mol(-1), respectively. Comparison between oxide-derived Cu and dendritic Cu suggests the presence of stronger binding sites on OD Cu, which could favor multicarbon products. This work will help establish the correlation between CO binding energy and CO(2)RR activity.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Engineering, Environmental
Benedikt M. Aumeier, Andreas Augustin, Maximilian Thoenes, Julia Sablotny, Thomas Wintgens, Matthias Wessling
Summary: This study investigated the adsorption equilibrium of specific organic compounds on activated carbon at different temperatures, revealing that most compounds exhibited exothermic adsorption while a few showed endothermic adsorption. The findings could serve as a reference for designing temperature swing adsorption processes to enhance process efficiency and achieve low-carbon emission in circular water purification processes.
JOURNAL OF HAZARDOUS MATERIALS
(2022)
Article
Thermodynamics
Zheng Gao, Bobo Li, Jianhua Li, Lidan Jia, Zhonghui Wang
Summary: This study analyzed the effects of temperature and physical parameters on adsorption capacity in the Lower Cambrian Niutitang Formation shale in northern Guizhou Province, China. A new adsorption model with two physical meaning parameters was constructed and validated. The study also calculated the isosteric enthalpy of adsorption in the shale and discussed the factors affecting it. The results showed that the isosteric enthalpy decreased with temperature increase and increased with an increase of TOC. A new method to predict adsorption isotherms at different temperature conditions was provided, yielding better prediction results. This study provided new insights into the thermodynamic characteristics of shale adsorption.
Article
Energy & Fuels
Ji Chen, Haifeng Gai, Qilin Xiao
Summary: This research investigates water sorption behavior in shale, revealing the relationship between water and pore structure, organic/inorganic composition, and temperature. The study supports a surface-chemistry-controlled clustering mechanism for water sorption in shale.
INTERNATIONAL JOURNAL OF COAL GEOLOGY
(2021)
Article
Chemistry, Physical
Huemantzin B. Ortiz-Oliveros, Noureddine Ouerfelli, Daniel Cruz-Gonzalez, Pedro Avila-Perez, Laura Bulgariu, Moayad H. Flaifel, Fatima M. Abouzeid
Summary: The study evaluated the removal of Pb using six different adsorbents, taking into account the temperature dependence of Delta H degrees and Delta S degrees and the implications of their strong correlation on Pb adsorption. The results revealed a strong causal correlation between Delta H degrees and Delta S degrees in the studied systems. The enthalpy-entropy relationship allowed determination of the isokinetic temperature, suggesting that the adsorption mechanism is driven by weak interaction forces due to similarities in the nature of the adsorbents and the chemical species of Pb.
CHEMICAL PHYSICS LETTERS
(2023)
Article
Thermodynamics
Kui Lin, Ya-Pu Zhao
Summary: This paper analyzes the kinetic processes of adsorption and displacement during shale gas exploitation using molecular dynamics simulations and statistical mechanics analyses. The results show that different displacement media have different driving mechanisms for the displacement process of CH4.
Article
Construction & Building Technology
Sofia Arris-Roucan, Fionn McGregor, Antonin Fabbri, Celine Perlot
Summary: Due to its hygroscopic properties, raw earth can passively regulate indoor humidity. The high sorption properties of clay minerals in earth can also attract molecules like carbon dioxide (CO2), potentially buffering indoor CO2. This paper presents an innovative methodology using thermogravimetric (TG) and calorimetric (DSC) analysis to characterize the interactions between clay and CO2 at the microscopic level, focusing on the dry state. Results demonstrate a CO2 adsorption capacity of 134 mg/kg at 5000 ppm and 35 degrees C, along with reversible physisorption, providing initial evidence of indoor air's passive CO2 regulation capacity. The determination of adsorption enthalpies based on the amount adsorbed reveals high values (-74 kJ/mol to -40 kJ/mol), indicating strong energy heterogeneity of the material.
BUILDING AND ENVIRONMENT
(2023)
Article
Chemistry, Physical
David S. Potts, Vijaya Sundar Jeyaraj, Ohsung Kwon, Richa Ghosh, Alexander V. Mironenko, David W. Flaherty
Summary: Solvent molecules within zeolite pores have a significant impact on the stability, rates, and selectivities of catalytic reactions. By studying alkene epoxidations in titanium-substituted BEA zeolites, researchers have discovered that the interactions between solvent molecules and active sites play a crucial role in these processes. The experimental and computational analysis of solvent composition within the zeolite pores provides insights into the thermodynamic consequences of these interactions and offers opportunities for controlling reaction selectivities and rates through the design of extended active site environments.
Article
Chemistry, Multidisciplinary
Debabrata Moitra, Narges Mokhtari-Nori, Kevin M. Siniard, Liqi Qiu, Juntian Fan, Zhun Dong, Wenda Hu, Hongjun Liu, De-en Jiang, Hongfei Lin, Jianzhi Hu, Meijia Li, Zhenzhen Yang, Sheng Dai
Summary: By harnessing the power of CaO- and SIL-engineered sorbents, high-performance and tunable sorbents in DAC of CO2 were developed. These sorbents exhibited high CO2 uptake capacity, rapid interaction kinetics, facile CO2 releasing, and stable sorption/desorption cycles. Operando DRIFTS analysis and solid-state NMR analysis demonstrated the critical roles of SIL species in low-concentration CO2 capture.
Article
Polymer Science
Rajashree Borgohain, Bishnupada Mandal
JOURNAL OF APPLIED POLYMER SCIENCE
(2020)
Article
Chemistry, Physical
Pradip Das, Bishnupada Mandal, Sasidhar Gumma
APPLIED SURFACE SCIENCE
(2020)
Article
Polymer Science
Munmi Das, Bishnupada Mandal, Vimal Katiyar
JOURNAL OF APPLIED POLYMER SCIENCE
(2020)
Article
Thermodynamics
Sweta Balchandani, Bishnupada Mandal, Swapnil Dharaskar
FLUID PHASE EQUILIBRIA
(2020)
Article
Energy & Fuels
Anirban Dey, Bishnupada Mandal, Sukanta K. Dash
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2020)
Article
Nanoscience & Nanotechnology
Savan Kumar Sharma, Barun K. Sanfui, Aviti Katare, Bishnupada Mandal
ACS APPLIED MATERIALS & INTERFACES
(2020)
Article
Engineering, Chemical
Rajashree Borgohain, Bishnupada Mandal
JOURNAL OF MEMBRANE SCIENCE
(2020)
Article
Chemistry, Physical
H. G. T. Nguyen, C. M. Sims, B. Toman, J. Horn, R. D. van Zee, M. Thommes, R. Ahmad, J. F. M. Denayer, G. V. Baron, E. Napolitano, M. Bielewski, E. Mangano, S. Brandani, D. P. Broom, M. J. Benham, A. Dailly, F. Dreisbach, S. Edubilli, S. Gumma, J. Moellmer, M. Lange, M. Tian, T. J. Mays, T. Shigeoka, S. Yamakita, M. Hakuman, Y. Nakada, K. Nakai, J. Hwang, R. Pini, H. Jiang, A. D. Ebner, M. A. Nicholson, J. A. Ritter, J. Farrando-Perez, C. Cuadrado-Collados, J. Silvestre-Albero, C. Tampaxis, T. Steriotis, D. Rimnacova, M. Svabova, M. Vorokhta, H. Wang, E. Bovens, N. Heymans, G. De Weireld
ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY
(2020)
Article
Energy & Fuels
Anirban Dey, Sukanta Kumar Dash, Bishnupada Mandal
Article
Chemistry, Applied
Himali Horo, Srirupa Bhattacharyya, Bishnupada Mandal, Lal Mohan Kundu
Summary: Research demonstrates that functionalized silk coating can enhance cellular uptake of nanoparticles, making them potential drug delivery tools.
CARBOHYDRATE POLYMERS
(2021)
Article
Nanoscience & Nanotechnology
Pradip Das, Debarati Mukherjee, Bishnupada Mandal, Sasidhar Gumma
Summary: The study successfully synthesized a novel ternary composite and fabricated mixed matrix membranes with higher selectivity. Introducing noble metal nanoparticles and carbon 2D materials simultaneously into the MOF improved the proton conduction, demonstrating the potential to overcome challenges associated with direct methanol fuel cells.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Biotechnology & Applied Microbiology
Thangsei Nengneilhing Baite, Bishnupada Mandal, Mihir Kumar Purkait
Summary: In this study, gallic acid was efficiently extracted from Ficus auriculata leaves using ultrasound assisted extraction. The optimal conditions included using 50% methanol as the solvent, sonication bath for extraction, and 30 minutes at 50 degrees C. This water-based extraction method provides a valuable alternative to traditional organic solvent extraction methods.
FOOD AND BIOPRODUCTS PROCESSING
(2021)
Article
Engineering, Environmental
Pradip Das, Bishnupada Mandal, Sasidhar Gumma
Summary: This study involves the synthesis of amino acid grafted nanocomposites as proton exchange membranes for direct methanol fuel cells and assessing their selectivity. The results show significant improvement in blocking methanol and enhanced conductivity of the composite membrane after modification.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Chemistry, Inorganic & Nuclear
Abhik Bhattacharjee, Mihir Kumar Purkait, Sasidhar Gumma
DALTON TRANSACTIONS
(2020)
Article
Chemistry, Applied
Lulu Wan, Gan Ye, Yuying Chang, Zhaohan Yang, Guangming Shi, Qiuli Zhang, Jin Wang
Summary: This study developed an efficient approach to upgrade the oxidative desulfurization (ODS) performance of Zr-MOFs with proton stimulation. Experimental results showed that the introduction of protons can significantly improve the ODS efficiency. This work provides a facile and efficient strategy for enhancing the ODS performance of pristine MOFs.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Qiqi Lu, Xiu-Zhi Wei, Qi Zhang, Xinghua Zhang, Lungang Chen, Jianguo Liu, Yubao Chen, Longlong Ma
Summary: The application of Pd-M bimetallic clusters in the selective hydrogenation reaction was investigated, and the Pd0.6Ni@S-1 catalyst was found to exhibit high selectivity in the conversion of phenylacetylene to styrene. The confinement effect of zeolite inhibited over-hydrogenation and improved the stability of the catalysts. Furthermore, the solvent properties also influenced the product distribution.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Review
Chemistry, Applied
Bo Li, Lumin Hong, Changdi Jing, Xianyang Yue, Huabo Huang, Qianqian Jiang, Jianguo Tang
Summary: MOF materials with adjustable pore structure and polymetallic sites have been explored as electrocatalysts for OER. Bimetallic materials show higher electrocatalytic activity than monometallic materials, while carbon-coated and doped MOF catalysts exhibit stable and good OER activity. The synergistic interaction between polymetallic active sites effectively improves the intrinsic activity of MOF on OER.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Shichun Gu, Ruyi Wang, Junxiong Zhang, Hairong Dong, Liping Deng, Xue Wang, Yapeng He
Summary: In this study, monodispersed hollow mesoporous organosilica nanospheres with controlled core cavity and mesoporous shell were successfully synthesized. These hollow nanospheres showed a high adsorption capacity for Pb2+ in water solution and exhibited acceptable recycling and stability.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Lucie Havelkova, Bogdana Bashta, Michaela Vankova, Jiri Zednik, Jiri Brus, Jan Svoboda, Alice Vagenknechtova, Jan Sedlacek
Summary: An atom-economic one-step chain-growth coordination homopolymerization providing high yields of functionalized hyper-cross-linked polyacetylenes with a permanent micro/mesoporous texture and a BET area of up to 1062 m2/g is reported. The homopolymerization is highly compatible with the heteroatom groups of the monomers and allows the preparation of well-defined porous networks with a wide spectrum of univalent groups.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Shirui Pang, Yuxin Liu, Zhe Zhang, Yuxin Li, Chunguang Li, Zhan Shi, Shouhua Feng
Summary: This study focuses on using a functional separator to suppress the shuttle effect of soluble lithium polysulfides in Li-S batteries. It is found that the functionalized sulfonic acid group not only accelerates the conduction of lithium ions, but also repels polysulfide anions through electrostatic interactions. The performance of the batteries is significantly improved with the use of this functionalized separator.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Pingping Li, Lei Han, Donghun Kim, Kemal Celebi
Summary: This study presents a fast synthetic strategy for the preparation of high-quality platelike MFI crystals using a thin-wall tubular reactor. The strategy is efficient, time-saving, and can be optimized, making it applicable to the preparation and optimization of other important materials.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Haitao Yin, Wei Wang, Yuxin Li, Hu Wen, Shuang Chen, Nanzhe Jiang
Summary: This study presents a template-free and solid-state-like crystallisation method for the synthesis of ZSM-5 zeolite, which can be scaled-up in production. Mechanical mixing of starting material components improves the dispersion of materials, leading to ZSM-5 zeolite with high crystallinity and size uniformity.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Congli Li, Jiang Wang, Zhenfei Wang, Jinxiang Dong, Qi Shi
Summary: This study investigates the evolution and autoreduction behavior of Cu species in CuCl/NaY adsorbent during vacuum thermal activation. It is found that Cu species migrate from supercages to the nearby plane of the six-membered ring connecting the supercage and sod cage during vacuum activation. At 150 degrees C, vacuum autoreduction occurs, resulting in the formation of Cu+Cl- species. The results provide reference for the preparation of pi-complex adsorbents.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Irena Khatrin, Iman Abdullah, Alan J. Mccue, Yuni K. Krisnandi
Summary: Hierarchical porous system with two types of mesopores provides a solution to the diffusion limitation in conventional zeolites. Cobalt oxide impregnated hierarchical ZSM-5 zeolite samples with intra- and inter-crystalline mesopores were synthesized using two different strategies. The physicochemical properties of the modified catalysts were analyzed, revealing distinct features given by the two mesoporous configurations. Catalytic activity analysis showed that Co-oxide/ZSM-5 with inter-crystalline mesopores exhibited higher activity in methane partial oxidation reaction compared to Co-oxide/ZSM-5 with intra-crystalline mesopores.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Nataliia Reinders, Martin Durovic, Pavla Honcova, Zaneta Dohnalova, Jana Luxova, Stanislav Slang, Jhonatan Rodriguez-Pereira, Petra S. Sulcova
Summary: This study presents a new method for preparing a microporous Ni2P/C catalyst with high catalytic activity. The redox reaction and carbon matrix formation during high-temperature treatment contribute to the stability and activity of the catalyst. Experimental and analytical results suggest that the microporous structure of the composite plays a crucial role in its catalytic performance. These findings are important for practical applications of efficient hydrogen production by water electrolysis.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Ana Raquel Bertao, Viktoriya Ivasiv, Cristina Almeida-Aguiar, Patricia R. Correia, Antonio M. Fonseca, Manuel Banobre-Lopez, Fatima Baltazar, Isabel C. Neves
Summary: This study developed a zeolite-based delivery system (ZDS) using silver and 5-Fluorouracil as antimicrobial and antineoplastic agents. The ZDS was characterized and its antimicrobial properties were investigated, showing better antibacterial effectiveness for the ZDS containing both silver and 5-FU.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Naonobu Katada, Nobuki Ozawa, Etsushi Tsuji, Keigo Kanehara, Akiho Otsuka, Taiga Sakamoto, Kirari Umezawa, Hitoshi Matsubara, Satoshi Suganuma, Momoji Kubo
Summary: First principles calculations were used to investigate the pathway for methylation of benzene with methane catalyzed by MFI type zeolite-supported Co species. The strong adsorption of benzene on Co is found to lower the activation energy for methane dissociation and promote the formation of toluene precursor. The activation energy of methane dissociation is also affected by the Al-Al distance.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Yuan Liu, An T. Ta, Kyoung Chul Park, Shenyang Hu, Natalia B. Shustova, Simon R. Phillpot
Summary: We use density functional theory to investigate the interactions of cerium, americium, and curium cations with crown ethers. Our results demonstrate that crown ethers can capture cerium, americium, and curium ions, and modifying the crown ether structure by substituting nitrogen atoms for oxygen atoms significantly increases their binding energies with radionuclides.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Zhengwu Peng, Shixing Wang, Yihui Wu, Xiang Liu, Hongliang Liu, Dekun Zhang, Likang Fu
Summary: An efficient adsorbent for recovery of germanium was prepared and characterized in this study. The adsorption behavior of Ge(IV) on the adsorbent was analyzed, and the results showed that it follows pseudo-secondary kinetic model and Langmuir isotherm model. The adsorbent exhibited good anionic anti-interference ability and can still maintain high adsorption efficiency after repeated adsorption.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
