Article
Energy & Fuels
Dan Wang, Tao Zhang, Yongchang Yang, Siyuan Chen, Li Lv, Shengwei Tang
Summary: The products of isobutane/butene alkylation are ideal high-octane blending components of gasoline pool. The use of binary mixtures of acidic imidazolium ionic liquids and H2SO4 as catalysts showed better catalytic performance, especially [OMIm][OTf]/H2SO4 which demonstrated excellent performance and reutilization capability.
CHEMICAL ENGINEERING AND PROCESSING-PROCESS INTENSIFICATION
(2022)
Article
Energy & Fuels
Guangliang Liu, Guoqing Wu, Ying Liu, Ruisheng Hu, Guanjun Gao
Summary: DFT calculations and MD simulations were used to investigate the reaction mechanism of isobutane-isobutylene alkylation catalyzed by different ionic liquids, showing the role of Cu species in inhibiting polymerization and promoting alkylate formation selectivity.
Article
Chemistry, Physical
Guoqing Wu, Ying Liu, Guangliang Liu, Ruisheng Hu, Guanjun Gao
Summary: The introduction of a small amount of benzene into chloroaluminate ionic liquid can improve the quality of alkylation gasoline, due to its impact on the electronic properties and stability of the IL structure, enhancing reactivity in the IL/benzene system.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Physical
Diego Guzman-Lucero, Javier Guzman-Pantoja, Heriberto Diaz Velazquez, Natalya Likhanova, Mercedes Bazaldua-Dominguez, Araceli Vega-Paz, Rafael Martinez-Palou
Summary: Research focuses on developing ionic liquids as catalysts for the isobutane/butene reaction to achieve a more efficient, sustainable, and environmentally friendly process. These compounds can mitigate the environmental issues associated with inorganic acids used as catalysts on an industrial scale for many years.
MOLECULAR CATALYSIS
(2021)
Article
Engineering, Chemical
Zhiqiang Yang, Ruirui Zhang, Ruixia Liu, Suojiang Zhang
Summary: This study investigated the alkylation performance of X zeolites with different particle sizes in a continuous-flow slurry reactor. The results showed that larger particle size can enhance catalyst stability, while smaller particle size is favorable for product diffusion. However, significant dealumination and structural defects can occur in smaller particles, impacting their acidity and overall alkylation performance. Thus, an optimal particle size range is speculated for the use of X zeolites in a slurry reactor for alkylation.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2022)
Article
Chemistry, Multidisciplinary
Guillaume Zante, Christopher E. Elgar, Katherine George, Andrew P. Abbott, Jennifer M. Hartley
Summary: The study explores the properties of concentrated ionic fluids and distinguishes them from concentrated aqueous brines. It demonstrates a continuous relationship between molar conductivity and fluidity, regardless of cation, charge density, or ionic radius. The diffusion coefficients of specific metal chlorides in various ionic fluids show a linear correlation with fluidity. By adjusting chloride and water activity, selective etching of mixed metal waste streams can be achieved.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Physical
Yilin Li, Jialu Luo, Shuyi Shan, Yuanyuan Cao
Summary: Amino acid-based deep eutectic solvents (DESs) are considered as green and low toxic materials for efficient CO2 capture, conversion and utilization. However, it is discovered for the first time that amino acid-based DESs are actually super toxic. The toxicity of amino acid-based DESs can be reduced by tuning hydrogen-bonding acceptor, hydrogen-bonding donor, mole ratio, and intermolecular interaction, providing a basis for designing less or even non-toxic green solvents for better and sustainable CO2 capture, conversion, and utilization.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Engineering, Chemical
Jialei Sha, Chenyi Liu, Zhihong Ma, Weizhong Zheng, Weizhen Sun, Ling Zhao
Summary: Molecular dynamics simulations were used to investigate the interfacial properties between benzene/butene binary reactants and chloroaluminate ionic liquids (ILs) with varying alkyl chain length and anions. The ILs significantly improved the interfacial width, solubility, and diffusion of reactants compared to H2SO4. Longer alkyl chains of cations enhanced density at the interface and facilitated dissolution and diffusion of benzene. ILs with 1-octyl-3-methylimidazolium cations and heptachlorodialuminate anions were most effective in promoting interfacial width and reactant dissolution and diffusion.
CHINESE JOURNAL OF CHEMICAL ENGINEERING
(2023)
Article
Chemistry, Physical
Piao Cao, Weizhong Zheng, Weizhen Sun, Ling Zhao
Summary: This study investigated the adsorption and diffusion behaviors of isobutane, 2-butene, and trimethylpentane on the silica surface with different surface groups using molecular dynamics simulations. Results showed that hydrophobic modification of the silica surface could improve the adsorption ratio of isoparaffin to olefins, while hydrophilic modification increased the surface polarity and interaction between surface groups. This work provides insights into strategies for mitigating solid acid deactivation.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Chemistry, Physical
Guoqing Wu, Ying Liu, Guangliang Liu, Ruisheng Hu, Guanjun Gao
Summary: It was found that aromatics interacted with ions in chloroaluminate ionic liquids (CIL), forming new species that buffer acidity, modify activity, and promote the alkylation reaction. This insight enhances our understanding of the effects of ions on CIL alkylation.
JOURNAL OF CATALYSIS
(2021)
Article
Chemistry, Multidisciplinary
Alexander M. M. Curreri, Jayoung Kim, Michael Dunne, Pavimol Angsantikul, Morgan Goetz, Yongsheng Gao, Samir Mitragotri
Summary: Proteins, commonly used for treating various diseases, face limitations in current injectable therapies due to poor absorption and slow pharmacokinetics. A deep eutectic-based delivery strategy is used to enhance protein absorption after subcutaneous injections, showing significant improvements in both large and small proteins. Mechanistic studies reveal the potential of deep eutectics to reduce protein interactions with the subcutaneous matrix, offering new possibilities for subcutaneous delivery of therapeutic proteins.
Article
Energy & Fuels
Filipa Lima, Luis C. Branco, Armando J. D. Silvestre, Isabel M. Marrucho
Summary: This review article presents the use of deep eutectic solvents (DES) in removing sulfur pollutants from transportation fuels, highlighting the urgent need to reduce the impact of fossil fuels impurities on outdoor air pollution. A comparative evaluation with Ionic Liquids (ILs) shows that DES has advantages in extracting sulfur contaminants, but the efficiency gap between simulated matrices and real fuels is still a challenge to be addressed.
Article
Chemistry, Physical
Rashid Sulthan, Arunima Reghunadhan, Sreedha Sambhudevan
Summary: Chitin is a valuable natural source of mucopolysaccharides that has applications in various biomedical fields. The primary source of chitin mass production is the waste biomass from the fish industry. Recent advancements in the utilization of biowastes offer a promising step towards green chemistry and sustainable development. Various techniques have been adopted for efficient extraction of chitin, with ionic liquids and Deep Eutectic Solvents being the more environmentally friendly options. The extracted chitin's purity, crystallinity, and yield vary depending on the reagents, methods, and biomass source used. Chitin derivatives, chitosan, chitin hydrogels, and chitin nanofibers/nanowhiskers have been studied and found suitable for biomedical and non-biomedical applications. This review compares the dissolution and extraction strategies of chitin using Ionic Liquids and Deep Eutectic Solvents.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Review
Chemistry, Physical
Mariana T. Donato, Rogerio Colaco, Luis C. Branco, Benilde Saramago
Summary: This paper reviews the most relevant research in the field of lubrication using IL additives and DES in the last decade, aiming to find more efficient and green alternatives for lubricants.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Energy & Fuels
Meng Lin, Shunli Zhou, Chengxi Zhang, Yongxiang Li, Chengqiang Wang, Xingtian Shu
Summary: A green and effective treatment method for Y zeolite-based catalyst was proposed, which improved acid accessibility and diffusion performance while maintaining high acidity. The shaped catalyst underwent a pressured treatment to achieve solid state ion exchange, binder bonding, and pore expansion. Characterization results showed that binder bonding protected zeolite structure, leading to improved acid accessibility and diffusion performance through dealumination. The pressured environment promoted zeolite-binder interaction and migration of Al species. The best catalyst, NY-DPA-1, achieved a lifetime of 84 h and increased the alkylation reaction lifetime by 17%.
Article
Energy & Fuels
Yingna Du, Chen Huang, Wei Jiang, Qiangwei Yan, Yongfei Li, Gang Chen
Summary: In this study, anionic surfactants modified hydrotalcite was used as a flow improver for crude oil under low-temperature conditions. The modified hydrotalcite showed a significant viscosity reduction effect on crude oil. The mechanism of the modified hydrotalcite on viscosity and pour point of crude oil was explored through characterization and analysis of the modified hydrotalcite and oil samples.
Article
Energy & Fuels
Mohammad Saeid Rostami, Mohammad Mehdi Khodaei
Summary: In this study, a hybrid structure, MIL-53(Al)@MWCNT, was synthesized by combining MIL-53(Al) particles and -COOH functionalized multi-walled carbon nanotube (MWCNT). The hybrid structure was then embedded in a polyethersulfone (PES) polymer matrix to prepare a mixed matrix membrane (MMM) for CO2/CH4 and CO2/N2 separation. The addition of MWCNTs prevented MIL-53(Al) aggregation, improved membrane mechanical properties, and enhanced gas separation efficiency.
Article
Energy & Fuels
Yunlong Li, Desheng Huang, Xiaomeng Dong, Daoyong Yang
Summary: This study develops theoretical and experimental techniques to determine the phase behavior and physical properties of DME/flue gas/water/heavy oil systems. Eight constant composition expansion (CCE) tests are conducted to obtain new experimental data. A thermodynamic model is used to accurately predict saturation pressure and swelling factors, as well as the phase boundaries of N2/heavy oil systems and DME/CO2/heavy oil systems, with high accuracy.
Article
Energy & Fuels
Morteza Afkhamipour, Ebad Seifi, Arash Esmaeili, Mohammad Shamsi, Tohid N. Borhani
Summary: Non-conventional amines are being researched worldwide to overcome the limitations of traditional amines like MEA and MDEA. Adequate process and thermodynamic models are crucial for understanding the applicability and performance of these amines in CO2 absorption, but studies on process modeling for these amines are limited. This study used rate-based modeling and Deshmukh-Mather method to model CO2 absorption by DETA solution in a packed column, validated the model with experimental data, and conducted a sensitivity analysis of mass transfer correlations. The study also compared the CO2 absorption efficiency of DETA solution with an ionic solvent [bmim]-[PF6] and highlighted the importance of finding optimum operational parameters for maximum absorption efficiency.
Article
Energy & Fuels
Arastoo Abdi, Mohamad Awarke, M. Reza Malayeri, Masoud Riazi
Summary: The utilization of smart water in EOR operations has gained attention, but more research is needed to understand the complex mechanisms involved. This study investigated the interfacial tension between smart water and crude oil, considering factors such as salt, pH, asphaltene type, and aged smart water. The results revealed that the hydration of ions in smart water plays a key role in its efficacy, with acidic and basic asphaltene acting as intrinsic surfactants. The pH also influenced the interfacial tension, and the aged smart water's interaction with crude oil depended on asphaltene type, salt, and salinity.
Article
Energy & Fuels
Dongao Zhu, Kun Zhu, Lixian Xu, Haiyan Huang, Jing He, Wenshuai Zhu, Huaming Li, Wei Jiang
Summary: In this study, cobalt-based metal-organic frameworks (Co-based MOFs) were used as supports and co-catalysts to confine the NHPI catalyst, solving the leaching issue. The NHPI@Co-MOF with carboxyl groups exhibited stronger acidity and facilitated the generation of active oxygen radicals O2•, resulting in enhanced catalytic activity. This research provides valuable insights into the selection of suitable organic linkers and broadens the research horizon of MOF hybrids in efficient oxidative desulfurization (ODS) applications.
Article
Energy & Fuels
Edwin G. Hoyos, Gloria Amo-Duodu, U. Gulsum Kiral, Laura Vargas-Estrada, Raquel Lebrero, Rail Munoz
Summary: This study investigated the impact of carbon-coated zero-valent nanoparticle concentration on photosynthetic biogas upgrading. The addition of nanoparticles significantly increased microalgae productivity and enhanced nitrogen and phosphorus assimilation. The presence of nanoparticles also improved the quality of biomethane produced.
Article
Energy & Fuels
Yao Xiao, Asma Leghari, Linfeng Liu, Fangchao Yu, Ming Gao, Lu Ding, Yu Yang, Xueli Chen, Xiaoyu Yan, Fuchen Wang
Summary: Iron is added as a flocculant in wastewater treatment and the hydrothermal carbonization (HTC) of sludge produces wastewater containing Fe. This study investigates the effect of aqueous phase (AP) recycling on hydrochar properties, iron evolution and environmental assessment during HTC of sludge. The results show that AP recycling process improves the dewatering performance of hydrochar and facilitates the recovery of Fe from the liquid phase.
Article
Energy & Fuels
He Liang, Tao Wang, Zhenmin Luo, Jianliang Yu, Weizhai Yi, Fangming Cheng, Jingyu Zhao, Xingqing Yan, Jun Deng, Jihao Shi
Summary: This study investigated the influence of inhibitors (carbon dioxide, nitrogen, and heptafluoropropane) on the lower flammability limit of hydrogen and determined the critical inhibitory concentration needed for complete suppression. The impact of inhibitors on explosive characteristics was evaluated, and the inhibitory mechanism was analyzed with chemical kinetics. The results showed that with the increase of inhibitor quantity, the lower flammability limit of hydrogen also increased. The research findings can contribute to the safe utilization of hydrogen energy.
Article
Energy & Fuels
Zonghui Liu, Zhongze Zhang, Yali Zhou, Ziling Wang, Mingyang Du, Zhe Wen, Bing Yan, Qingxiang Ma, Na Liu, Bing Xue
Summary: In this study, high-performance solid catalysts based on phosphotungstic acid (HPW) supported on Zr-SBA-15 were synthesized and evaluated for the one-pot conversion of furfural (FUR) to γ-valerolactone (GVL). The catalysts were characterized using various techniques, and the ratio of HPW and Zr was found to significantly affect the selectivity of GVL. The HPW/Zr-SBA-15 (2-4-15) catalyst exhibited the highest GVL yield (83%) under optimized reaction conditions, and it was determined that a balance between Bronsted acid sites (BAS) and Lewis acid sites (LAS) was crucial for achieving higher catalytic performance. The reaction parameters and catalyst stability were also investigated.
Article
Energy & Fuels
Michael Stoehr, Stephan Ruoff, Bastian Rauch, Wolfgang Meier, Patrick Le Clercq
Summary: As part of the global energy transition, an experimental study was conducted to understand the effects of different fuel properties on droplet vaporization for various conventional and alternative fuels. The study utilized a flow channel to measure the evolution of droplet diameters over time and distance. The results revealed the temperature-dependent effects of physical properties, such as boiling point, liquid density, and enthalpy of vaporization, and showed the complex interactions of preferential vaporization and temperature-dependent influences of physical properties for multi-component fuels.
Article
Energy & Fuels
Yuan Zhuang, Ruikang Wu, Xinyan Wang, Rui Zhai, Changyong Gao
Summary: Through experimental validation and optimization of the chemical kinetic model, it was found that methanol can accelerate the oxidation reaction of ammonia, and methanol can be rapidly oxidized at high concentration. HO2 was found to generate a significant amount of OH radicals, facilitating the oxidation of methanol and ammonia. Rating: 7.5/10.
Article
Energy & Fuels
Radwan M. EL-Zohairy, Ahmed S. Attia, A. S. Huzayyin, Ahmed I. EL-Seesy
Summary: This paper presents a lab-scale experimental study on the impact of diethyl ether (DEE) as an additive to waste cooking oil biodiesel with Jet A-1 on combustion and emission features of a swirl-stabilized premixed flame. The addition of DEE to biodiesel significantly affects the flame temperature distribution and emissions. The W20D20 blend of DEE, biodiesel, and Jet A-1 shows similar flame temperature distribution to Jet A-1 and significantly reduces UHC, CO, and NOx emissions compared to Jet A-1.
Article
Energy & Fuels
Jiang Bian, Ziyuan Zhao, Yang Liu, Ran Cheng, Xuerui Zang, Xuewen Cao
Summary: This study presents a novel method for ammonia separation using supersonic flow and develops a mathematical model to investigate the condensation phenomenon. The results demonstrate that the L-P nucleation model accurately characterizes the nucleation process of ammonia at low temperatures. Numerical simulations also show that increasing pressure and concentration can enhance ammonia condensation efficiency.
Article
Energy & Fuels
Shiyuan Pan, Xiaodan Shi, Beibei Dong, Jan Skvaril, Haoran Zhang, Yongtu Liang, Hailong Li
Summary: Integrating CO2 capture with biomass-fired combined heat and power (bio-CHP) plants is a promising method for achieving negative emissions. This study develops a reliable data-driven model based on the Transformer architecture to predict the flowrate and CO2 concentration of flue gas in real time. The model validation shows high prediction accuracy, and the potential impact of meteorological parameters on model accuracy is assessed. The results demonstrate that the Transformer model outperforms other models and using near-infrared spectral data as input features improves the prediction accuracy.