Article
Engineering, Environmental
Yongha Park, Jun-Ho Kang, Dong-Kyu Moon, Young Suk Jo, Chang-Ha Lee
Summary: This study investigated parallel and series pressure swing adsorption (PSA) processes for H-2 recovery from lean hydrogen mixtures, achieving > 99% H-2 purity. The parallel two-bed PSA process showed H-2 purity of 94.6-98.3% and recovery of 33.5-63.2%, while the series PSA processes achieved over > 99% purity and recovery of 62.478% and 82.643% due to additional pressure equalization steps and blowdown gas utilization. The parallel four-bed PSA process had the highest H-2 productivity, while the series four-bed PSA process achieved > 99% purity with a lower productivity.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Multidisciplinary Sciences
Nishesh Kumar Gupta, Eun Ji Kim, Soyoung Baek, Jiyeol Bae, Kwang Soo Kim
Summary: A ternary Mn-Zn-Fe oxide nanocomposite was synthesized for the removal of H2S and SO2 gases at room temperature. The nanocomposite showed high adsorption capacity and effectiveness in wet conditions. The spectroscopic analysis confirmed the mineralization of H2S and the oxidation of SO2. This nanocomposite has potential applications in deep desulfurization.
SCIENTIFIC REPORTS
(2022)
Article
Chemistry, Physical
Xingyu Zhou, Xiaotong Yan, Changchun He, Xiao-Bao Yang, Yu-Jun Zhao
Summary: In this study, the adsorption and dissociation of hydrogen molecules on Mg17Al12(100), Mg17Al12(110), Mg17Al12(111), and Mg(0001) surfaces were investigated using first-principles calculations. It was found that the H adsorption on Mg17Al12 systems exhibited greater strength than that of Mg(0001) surface. Among them, the lowest adsorption energies of H atoms were observed on the Mg17Al12(110) surface, with values of -0.278 and -0.247 eV/H at H coverage of 1/11 and 2/11 ML, respectively. Additionally, the Mg17Al12(110) surface demonstrated a hydrogen dissociation energy path with a minimum barrier of 0.59 eV, which was smaller than that of the Mg(0001) surface (0.84 eV). Electronic structure analysis indicated that although H atoms obtained similar charges on the Mg17Al12(110) and Mg(0001) surfaces, the bonding between H atoms and the Mg17Al12(110) surface was enhanced. Furthermore, the reduced dissociation barriers on the three investigated Mg17Al12 surfaces were likely attributed to the stronger hybridization of H 1s and Al 3s orbitals, resulting in accelerated hydrogen adsorption kinetics on the Mg17Al12 surface compared to the pure Mg surface.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Chemistry, Physical
Y. E. Divo-Matos, R. C. Cruz-Rodriguez, L. Reguera, E. Reguera
Summary: This contribution presents a new model for gas adsorption isotherm at high pressures, derived from the Redlich-Kwong's equation of state, which considers the adsorption space as a fitting parameter unlike the frequently used Zhou model. The proposed model is validated through comparison with hydrogen adsorption isotherms in various porous solids, and the effects of model parameters on the isotherm shape are discussed in detail. This model has potential applications for evaluating adsorption data for gases above their critical temperature, particularly for hydrogen adsorption in porous solids.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Chemistry, Physical
Omid T. Qazvini, Victoria-Jayne Scott, Linda Bondorf, Maxime Ducamp, Michael Hirscher, Franccommaois-Xavier Coudert, Shane G. Telfer
Summary: Flexible metal-organic frameworks like MUF-15-OMe can undergo flexing upon the uptake of specific gases, enhancing gas separation efficiency.
CHEMISTRY OF MATERIALS
(2021)
Article
Chemistry, Physical
L. Bartolucci, S. Cordiner, V. Mulone, C. Tatangelo, M. Antonelli, S. Romagnuolo
Summary: In recent decades, the impacts of climate change due to greenhouse gas emissions have become more severe, prompting international authorities to seek green solutions for sustainable economic development. One such solution is the reduction of fossil fuel usage in the transportation sector, with hydrogen emerging as a promising alternative due to its potential as an emission-free fuel when produced using renewable energy sources. However, there are several barriers to overcome, including production costs and the lack of distribution and storage infrastructure. This study proposes a multi-hub configuration for hydrogen production, combining on-site PV-powered electrolysis and centralized steam methane reforming. The results show that the size of the refueling station significantly affects economic performance, with larger stations offering greater benefits such as a reduction of up to 40% in the Levelized Cost of hydrogen. The synergistic effects of SMR and electrolyzer enable limited CO2 emissions per unit mass of hydrogen, and interconnecting multiple stations can further enhance environmental benefits.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Chemistry, Physical
Xiuxin Yu, Yuanhui Shen, Zhongbo Guan, Donghui Zhang, Zhongli Tang, Wenbin Li
Summary: The study developed a PSA process for producing high-purity hydrogen, optimized using artificial neural networks with high accuracy in approximating the process performance and dynamic behavior. A multi-objective optimization approach using genetic algorithm was proposed to find optimal operating conditions of the PSA process, providing a reliable reference for operational enhancement.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Biotechnology & Applied Microbiology
Mohamed El-Qelish, Ahmed M. Elgarahy, Hanan S. Ibrahim, Heba K. El-Kholly, Mosab Gad, Mohammed Eid M. Ali
Summary: Phenolic compounds from industries pose a significant threat to the environment and human health. Modified alginate beads made from pomegranate peel were used to remove phenol from wastewater, showing promising results.
BIOCHEMICAL ENGINEERING JOURNAL
(2023)
Article
Chemistry, Physical
Manmanut Srikaew, Yutthana Wongnongwa, Siriporn Jungsuitiwong, Chokchai Kaiyasuan, Vinich Promarak, Sayant Saengsuwan
Summary: This study explores the impact of carboxylation of graphene oxide (GO) on the adsorption performance and selective adsorption towards methylene blue (MB) dye. The results show that carboxylated GO (GO-COOH) has higher adsorption capacity and better selective adsorption compared to GO. Carboxylation presents a promising approach to enhance the adsorption performance of GO-based adsorbents and eliminate MB dye pollutants.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2023)
Article
Energy & Fuels
Huangyu Yan, Guojie Zhang, Ying Wang, Jun Liu, Guoqiang Li, Yuqiong Zhao, Ying Xu, Yongkang Lv
Summary: In this study, a low-cost and efficient CO2 adsorbent was prepared using tetraethylenepentamine functionalized blast furnace slag. Various characterization analyses were performed, and the effects of structure, TEPA loading, and adsorption temperature on the material properties were investigated. The results showed that BFS10.5-50TEPA with more pores and high amine efficiency was an ideal adsorbent.
Article
Environmental Sciences
Kwena Yvonne Pete, John Kabuba, Benton Otieno, Aoyi Ochieng
Summary: A nanocomposite photocatalyst consisting of titanium dioxide supported on multiwalled carbon nanotubes was successfully prepared and used for the treatment of tetracycline-contaminated wastewater. The properties of the composite were optimized by varying the amount of titanium dioxide. The composite exhibited enhanced photocatalytic activity and followed overall pseudo-second-order kinetics and Langmuir adsorption isotherm.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2023)
Article
Chemistry, Physical
Shrilekha V. Sawant, Manishkumar D. Yadav, Seemita Banerjee, Ashwin W. Patwardhan, Jyeshtharaj B. Joshi, Kinshuk Dasgupta
Summary: Boron-doped carbon nanotubes (BCNTs) with varying boron content were prepared by thermo-catalytic decomposition of ethanol in the presence of boric acid. Hydrogen adsorption capacity was found to improve up to a critical boron content, after which it decreased. Various factors such as dopant concentration, bonding with carbon structures, crystallinity, and defects play pivotal roles in determining the extent of hydrogen adsorption by BCNTs.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Engineering, Chemical
Hua Shang, Honghao Bai, Xiaomin Li, Jinping Li, Jiangfeng Yang
Summary: A highly integrated mobile skid-mounted VPSA system was designed and installed, and low-concentration CH4 capture trials were carried out in a coal mine in China. The results showed that the CH4 content in the product gas met the requirements of 4T grade city gas in China after purification.
SEPARATION AND PURIFICATION TECHNOLOGY
(2022)
Article
Materials Science, Paper & Wood
Sarita Yadav, Aruna Yadav, Nisha Bagotia, Ashok K. Sharma, Surender Kumar
Summary: This study synthesized a green bio-composite adsorbent based on Pennisetum glaucum raw material (RM) containing 0.5% functionalized carbon nanotube (0.5% CNT + RM). The morphology and physicochemical properties of the bio-composite were investigated using various techniques. The adsorption efficiency of the prepared biocomposite adsorbents was evaluated for the removal of cationic dyes from single and multi-component systems. The results showed that the adsorbent had excellent adsorption capacity and regeneration capability, making it suitable for practical applications.
Article
Thermodynamics
Weidong Xie, Hua Wang, Veerle Vandeginste, Si Chen, Huajun Gan, Meng Wang, Zhenghong Yu
Summary: This work investigates the thermodynamic and kinetic mechanism of the adsorption difference between CH4 and CO2 in a competitive adsorption system. Experimental data is fitted using multiple models to characterize the adsorption properties, and the influence of temperature, pressure, shale properties, and pore structure is discussed.
Article
Chemistry, Physical
Ayat Nuri, Abolfazl Bezaatpour, Mandana Amiri, Nemanja Vucetic, Jyri-Pekka Mikkola, Dmitry Yu Murzin
Summary: Mesoporous SBA-15 silicate was prepared by a hydrothermal method, modified with organic melamine ligands, and used for deposition of Pd nanoparticles for Mizoroki-Heck coupling reactions. The optimized reaction parameters allow for efficient recovery and reuse of the catalyst.
Article
Biotechnology & Applied Microbiology
Xiaojia Lu, Paula Junghans, Johan Warna, Gerd Hilpmann, Rudiger Lange, Heather Trajano, Kari Eranen, Lionel Estel, Sebastien Leveneur, Henrik Grenman
Summary: In this study, the acidic hydrolysis of a birch xylan was investigated, with a maximum xylose yield of 76% achieved. The study revealed differences in the kinetics of hydrolysis and dehydration reactions, leading to the development of a kinetic model to optimize the yield.
JOURNAL OF CHEMICAL TECHNOLOGY AND BIOTECHNOLOGY
(2022)
Article
Engineering, Chemical
Tapio Salmi, Vincenzo Russo, Adriana Aguilera, Pasi Tolvanen, Johan Warna, Martino Di Serio, Riccardo Tesser, Tommaso Cogliano, Sebastien Leveneur, Kari Eranen
Summary: A rigorous mathematical model was developed for a complex liquid-liquid-solid system in a batch reactor, particularly applicable for the indirect epoxidation process of vegetable oils. The model takes into account reaction kinetics and intra- and interfacial mass transfer effects. The model was tested with a generic example, demonstrating the applicability of multiphase models in epoxidation processes.
Article
Chemistry, Physical
Nataliya D. Shcherban, Roman Yu Barakov, Sergii A. Sergiienko, Kari Eranen, Johan Warna, Dmitry Yu Murzin
Summary: Micro-mesoporous aluminosilicates based on ZSM-5 zeolite were tested in the oxidation of furfural with hydrogen peroxide, showing minor variations in selectivity towards desired products despite substantial changes in catalyst acidity and porosity. The main C4 reaction products were 2(5H)-furanone and succinic acid, with yields up to 28.5% and 19.5% respectively. The kinetic model developed for sulfated zirconia oxidation of furfural was also able to describe the data for micro-mesoporous aluminosilicates.
Article
Engineering, Chemical
Tapio Salmi, Pasi Tolvanen, Kari Eranen, Johan Warna, Sebastien Leveneur, Heikki Haario
Summary: The study focused on mathematical modelling of transient states of continuous stirred tank reactors for homogeneous liquid-phase reactions. A precise kinetic measurement strategy involving reactor temperature registration during reaction start-up was proposed. The method was validated through experimental verification and sensitivity analysis, demonstrating its applicability for systems with measurable heat effects.
CHEMICAL ENGINEERING SCIENCE
(2022)
Article
Chemistry, Applied
Irina L. Simakova, Zuzana Vajglova, Paivi Maki-Arvela, Kari Eranen, Leena Hupa, Markus Peurla, Ermei M. Makila, Johan Warna, Dmitry Yu Murzin
Summary: A one-pot continuous synthesis of menthols from citral was achieved with high selectivity under specific conditions. Catalyst deactivation over time resulted in a decrease in the selectivity to menthols and an increase in the selectivity to isopulegols. A kinetic model was developed to describe the reaction, taking into account both metal and acid site deactivation, and showed good agreement with the experimental data.
ORGANIC PROCESS RESEARCH & DEVELOPMENT
(2022)
Article
Chemistry, Applied
Tom Winkler, Fabien Baccot, Kari Eranen, Johan Warna, Gerd Hilpmann, Rudiger Lange, Markus Peurla, Irina Simakova, Henrik Grenman, Dmitry Yu Murzin, Tapio Salmi
Summary: Formic acid plays a crucial role in green chemistry, and this study investigates its decomposition reaction in a fixed bed reactor. The catalyst, consisting of palladium nanoparticles deposited on porous active carbon, shows good stability. The experimental data can be well described by a multistep adsorption-decomposition model.
Article
Chemistry, Multidisciplinary
Robert Lassfolk, Manuel Pedron, Tomas Tejero, Pedro Merino, Johan Warna, Reko Leino
Summary: Acyl group migration plays a significant role in the synthesis, isolation, manipulation and purification of acylated organic compounds containing free hydroxyl groups, especially carbohydrates. Our study reveals that the anomeric configuration in monosaccharides, along with the relative configurations of other hydroxyl groups and the properties of the migrating acyl group, greatly influence the migration rate.
CHEMISTRY-A EUROPEAN JOURNAL
(2022)
Article
Chemistry, Multidisciplinary
Roman Barakov, Nataliya Shcherban, Paivi Maki-Arvela, Pavel Yaremov, Igor Bezverkhyy, Johan Warna, Dmitry Yu Murzin
Summary: In this study, hierarchical beta zeolites and micromesoporous materials were characterized and tested for a-pinene oxide isomerization. It was found that low crystalline micromesoporous materials favored the production of trans-carveol, while highly crystalline hierarchical beta zeolites favored the formation of campholenic aldehyde.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2022)
Article
Chemistry, Organic
Robert Lassfolk, Manuel Pedron, Tomas Tejero, Pedro Merino, Johan Warna, Reko Leino
Summary: Acetyl groups in oligosaccharides can migrate within one saccharide unit and between different saccharide units. Xyloglucans and xylans are common naturally acetylated polysaccharides in nature, playing important roles in plant cells. Understanding the migration of acetyl groups can help understand the biological activity of polysaccharides.
JOURNAL OF ORGANIC CHEMISTRY
(2022)
Article
Chemistry, Physical
Nataliya Shcherban, Roman Barakov, Basile Lasne, Paivi Maki-Arvela, Mariya Shamzhy, Igor Bezverkhyy, Johan Warna, Dmitry Yu Murzin
Summary: This study investigated the properties of zeolite catalysts and reaction products, and identified the optimal conditions for the Prins cyclization reaction, leading to an increase in tetrahydropyranol yield.
MOLECULAR CATALYSIS
(2022)
Article
Engineering, Chemical
Ananias Medina, Javier Ibanez Abad, Pasi Tolvanen, Johan Warna, Kari Eranen, Tapio Salmi
Summary: This study investigated the glycerol hydrochlorination reaction using gaseous hydrogen chloride and acetic acid as a homogeneous catalyst. The experimental results provided new insights into the reaction mechanism, including the observed temperature changes and the transformation of catalyst into esters. These findings are crucial for the rational design of glycerol hydrochlorination reactors.
CHEMICAL ENGINEERING SCIENCE
(2022)
Article
Nanoscience & Nanotechnology
Zuzana Vajglova, Bibesh Gauli, Paivi Maki-Arvela, Narendra Kumar, Kari Eranen, Johan Warna, Robert Lassfolk, Irina L. Simakova, Igor P. Prosvirin, Markus Peurla, Johan Kaarle Mikael Linden, Hannu Huhtinen, Petriina Paturi, Dmitry E. Doronkin, Dmitry Yu. Murzin
Summary: A set of low-cost monometallic Fe, Ni, and bimetallicFe-Ni bifunctional H-Y-5.1 catalysts with different metal ratios were synthesized and characterized. The introduction of Fe led to a decrease in strong acid sites and an increase in medium Bronsted acid sites, while the introduction of Ni increased the number of Lewis acid sites. The particle size of iron was approximately 5 nm, while it was about fourfold higher for nickel. XPS demonstrated higher iron content on the catalyst surface compared to nickel. The results also showed strong Fe-Ni nanoparticle interactions, which affected the catalytic performance.
ACS APPLIED NANO MATERIALS
(2023)
Article
Biotechnology & Applied Microbiology
Tapio Salmi, Pasi Tolvanen, Kari Eraenen, Johan Waerna
Summary: Residence time distribution (RTD) plays a crucial role in the performance of chemical reactors, and is extensively studied in chemical engineering education worldwide. This study demonstrates a unique approach to measuring RTD using urban pieces of art, with successful interpretation of results using a classical laminar flow model. The application of this methodology in historical university cities is suggested.
FRONTIERS IN CHEMICAL ENGINEERING
(2022)
Article
Chemistry, Multidisciplinary
Piotr Jablonski, Dariush Nikjoo, Johan Warna, Knut Irgum, Jyri-Pekka Mikkola, Santosh Govind Khokarale
Summary: This report introduces a sustainable, metal-free, and single solvent-based reaction approach for the selective depolymerization of biopolymers to industrially valuable chemicals. The study investigates the influence of different reaction parameters on the conversion yield and efficiency.
