Article
Chemistry, Applied
Lei Wang, Daxiang Xie, Yingying Ma, Meng Sun, Nchare Mominou, Weijie Jiang, Chen Shufeng, Chunyu Jing
Summary: This study prepared a photocatalyst with high desulfurization and denitrogenation activities by Er, W, and N co-doping modification of TiO2. Experimental results showed that the desulfurization and denitrogenation ratios were both 100% under suitable conditions. The co-doping of Er, W, and N extended the photo-absorption range and improved the hole-electron separation of TiO2.
FUEL PROCESSING TECHNOLOGY
(2021)
Article
Thermodynamics
Mahmut Uyar, Huseyin Aydin
Summary: In this study, a diesel-like fuel was produced from crude oil sludge using catalytic pyrolysis. The fuel went through two stages of desulfurization, resulting in a significant reduction in sulfur content. The obtained fuels were found to be suitable for use in diesel engines without requiring any engine modifications.
Article
Chemistry, Multidisciplinary
Lifang Chen, Jin An Wang, Natali de la Fuente, Sinong Zhou, Peng Jiang, Yueqin Song, Xiaolong Zhou
Summary: This study focuses on the roles of structural defects, surface acidity, and catalytic properties of phosphotungstic acid grafted on Zr-doped MCM-41 catalysts in oxidative desulfurization, demonstrating the importance of these factors in improving catalytic activity for ultralow-sulfur fuel production.
NEW JOURNAL OF CHEMISTRY
(2022)
Article
Engineering, Chemical
Lei Wang, Ning Zuo, Meng Sun, Yingying Ma, Nchare Mominou, Weijie Jiang, Shuzhen Li, Chunyu Jing
Summary: By doping N, CQDs, Ir, and Pr in TiO2, the prepared Ir/Pr-N-CQDs-TiO2 exhibited excellent desulfurization and denitrogenation activity, with much higher turnover frequencies compared to other catalysts, and desulfurization and denitrogenation ratios reaching very high levels.
SEPARATION AND PURIFICATION TECHNOLOGY
(2021)
Article
Energy & Fuels
Guojia Yu, Xiaojia Wu, Lu Wei, Zhiyong Zhou, Wei Liu, Fan Zhang, Yixin Qu, Zhongqi Ren
Summary: Ionic liquids (ILs) are efficient green solvents for thiophene sulfides removal. In this study, several acidic ILs were synthesized and [NFM][TFA] showed excellent desulfurization efficiency. Through a proposed mechanism, [NFM][TFA] reacted with H2O2 to oxidize DBT in IL phase to corresponding sulfones.
Article
Green & Sustainable Science & Technology
Asmaa S. Morshedy, Sahar M. Taw, Karam M. Hashem, Dina M. Abd El-Aty, Ahmed A. Galhoum, Mohsen S. Mostafa, Eric Guibal
Summary: Photocatalysis is a promising process for developing greener fuels, with liquid Cd-based diacetate showing higher sulfur removal efficiency and better quality properties for diesel photo-desulfurization under visible light and sunlight irradiation compared to CdOx nanoparticles. This offers potential for economic and clean fuel production, associated with pollution control.
JOURNAL OF CLEANER PRODUCTION
(2021)
Article
Biotechnology & Applied Microbiology
Asmaa S. Morshedy, Hager R. Ali, Amr A. Nada, Abdelrahman M. Rabie, Heba H. El-Maghrabi
Summary: The study utilized a well-prepared imprinted nanocomposite polymer as a highly photo-active material for oxidative desulfurization process, achieving a high efficiency of dibenzothiophene degradation. By adjusting experimental parameters such as radiation source, catalyst dosage, reaction time, and addition of oxidizing agents, sulfur compounds can be rapidly removed at room temperature. The material exhibited not only efficient desulfurization under optimal conditions, but also excellent recyclability for multiple uses.
ENVIRONMENTAL TECHNOLOGY & INNOVATION
(2021)
Article
Chemistry, Multidisciplinary
Tianshuang Li, Hongliang Zhang, Yun Li, Jie Li, Jingkun Wang, Jin Xiao
Summary: The study investigates the unimolecular pyrolysis of thiophene from a kinetic perspective, establishing a kinetic model to accurately calculate the rate of pyrolysis and identify major products such as thioketene and ethyne. Results indicate that ring-H migrations are the main mechanism for the unimolecular pyrolysis of thiophene.
Article
Chemistry, Physical
Ahmad S. Darwish, Farah Abu Hatab, Tarek Lemaoui, Omar A. Z. Ibrahim, Ghaiath Almustafa, Botagoz Zhuman, Samah E. E. Warrag, Mohamed K. Hadj-Kali, Yacine Benguerba, Inas M. Alnashef
Summary: Eutectic solvents have been studied for fuel purification, with this work focusing on the extraction of multiple aromatics from n-decane using a salt-acid-based ES. Experimental and theoretical studies showed different extraction mechanisms for different impurities, with full recovery achieved for pyrrole and quinoline after 2 stages of extraction and lower efficiencies for thiophene and toluene.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Green & Sustainable Science & Technology
Biao Yang, Ke Fan, Shanshan Yu, Xuelian Peng, Tao Zhang, Linfeng Zhang, Fuqing Zhang, Huadong Wu, Jia Guo, Bing Liu
Summary: Oxidative desulfurization (ODS) technology, which can produce clean fuel without hydrogen requirements under mild operating conditions, shows great potential. However, most current studies focus on the desulfurization of specific sulfides, whereas various sulfides exist in real fuel. To address this, a L-proline/benzenesulfonic acid deep eutectic solvent (DES) was developed for the simultaneous removal of dibenzothiophene (DBT), benzothiophene (BT) and 4,6-dimethyldibenzothiophene (4,6-DMDBT). The study found that the removal efficiency of 4,6-DMDBT was sensitive to temperature and O/S molar ratios, while BT removal was less affected. Under proper conditions, sulfur removal efficiencies of 100%, 99.50%, and 97.15% were achieved for DBT, BT, and 4,6-DMDBT, respectively. The DES showed excellent stability and DBT removal efficiency of 98.16% after 10 runs. Density functional theory (DFT) computation revealed that the interaction energy between BT and DES (-63.36 kJ/mol) was the strongest among the three sulfides, which could explain the good removal efficiency of BT. This study suggests that designing catalysis systems with strong interaction with sulfides can enhance ODS efficiencies.
JOURNAL OF CLEANER PRODUCTION
(2023)
Article
Energy & Fuels
Libo Lu, Wenwen Wei, Fan Liu, Wen Cao, Hui Jin, Yunan Chen, Liejin Guo
Summary: Supercritical water treatment is a potential technique for sulfur removal and energy conversion. Density functional theory calculations show that water acts as both reactant and catalyst in the decomposition of thiophene compounds. Additionally, the main gaseous product in the process, H2, promotes the decomposition of thiophene. Experimental results demonstrate that the maximum desulfurization rate in supercritical water is 91.54%, which is significantly higher than that in pyrolysis. Furthermore, the performance of dibenzothiophene, with the largest substituent, is the poorest in desulfurization, consistent with the results of the density functional theory calculations. The proposed reaction pathways of dibenzothiophene may be critical in understanding the desulfurization of thiophene compounds and crude oil utilization in supercritical water.
Article
Engineering, Environmental
Masoud Karamzadeh, Salman Movahedirad, Mohammad Amin Sobati
Summary: This study investigated the extractive desulfurization of oxidized diesel fuel using a spiral micro-channel contactor. Dimethylformamide was found to be the most effective solvent for sulfur removal and fuel recovery. The study also examined the effects of channel size, channel length, sonication intensification, and multi-stage extraction on sulfur removal.
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING
(2023)
Article
Chemistry, Multidisciplinary
Samira Mandizadeh, Omid Amiri, Masoud Salavati-Niasari
Summary: NiFe2O4 nanosheets were successfully synthesized using ultrasonic and combustion methods with triiodothyronine as a biotemplate. The nanosheets showed high efficiency in removing sulfur compounds from diesel fuels and improving diesel engine performance under optimized conditions. The recyclable NiFe2O4 nano additive also demonstrated the ability to reduce NOx, CO, HC, and smoke emissions in diesel engines.
Article
Chemistry, Multidisciplinary
Zahra Chenari, Maasoumeh Khatamian, Azin Yavari
Summary: In this study, MnO2/zeolite nanocomposites were synthesized and characterized as potential catalysts for thiophene removal. The results showed that MnO2/Cu-Clin composite achieved rapid removal of thiophene at a lower temperature, while MnO2/Clin composite required more time.
NEW JOURNAL OF CHEMISTRY
(2023)
Article
Chemistry, Physical
Ummi Kalsum Hasanah Mohd Nadzim, Nur Hanis Hayati Hairom, Mohamad Alif Hakimi Hamdan, Mohd Khairul Ahmad, Aishah Abdul Jalil, Nurfatehah Wahyuny Che Jusoh, Sofiah Hamzah
Summary: This study focuses on the performance of different morphologies of zinc oxide nanoparticles in thiophene desulfurization. The results show that flower-like zinc oxide flakes exhibit the best performance in thiophene desulfurization. Moreover, all zinc oxide morphologies apply to pseudo-second-order models. The optimal conditions for thiophene desulfurization are pH 7, 0.05 g/L zinc oxide flakes loading, and 90 minutes of contact time.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Chemistry, Physical
Rajalaxmi Sahoo, C. Reshma, D. S. Shankar Rao, C. V. Yelamaggad, S. Krishna Prasad
Summary: This study investigates the influence of the flexible spacer parity of a guest photoactive liquid crystalline dimer on the photonic bandgap features of the cholesteric and twist grain boundary smectic C phases of the host molecule. The results show that the parity of the photoactive dimer affects the width of the photonic bandgap and the blue-shift of the cholesteric phase. Additionally, the parity of the dimer also affects the layer spacing and two-dimensional periodicity of the liquid crystalline phases.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Sara Rozas, Alberto Gutierrez, Mert Atilhan, Alfredo Bol, Santiago Aparicio
Summary: This study presents a multiscale theoretical investigation on the use of bifunctional hydrophobic Deep Eutectic Solvent for carbon capture using tetrapropylammonium chloride, acetic acid, and ethanolamine. The characterization includes nanoscale analysis of CO2 absorption mechanisms and changes in liquid phase properties during gas capture.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Tabouli Eric Da-yang, Alhadji Malloum, Jean Jules Fifen, Mama Nsangou, Jeanet Conradie
Summary: In this study, the potential energy of different glycine tautomers and their interaction with Cu2+ cations was investigated. The results showed that the solvation medium and the presence of Cu2+ cations influenced the stability of glycine tautomers.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Xiaoliang Gou, Nan Ye, Qingqing Han, Junjie Cui, Long Yi Jin
Summary: In this study, amphiphilic rod-coil molecules with rigid DSA parts and flexible oligoether chains were designed and their assembly capacities were investigated. The morphology of the molecular aggregates was influenced by the pH of the solution and UV light, and the aggregates showed adsorption capacity for nitroaromatic compounds.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Shuang Liu, Liyan Shan, Cong Qi, Wenhui Zhang, Guannan Li, Bei Wang, Wei Wei
Summary: Optimizing the design of styrene-butadiene-styrene copolymer (SBS) is crucial for producing cost-effective SBS modifiers and improving road quality. This study examined the influence of SBS content and molecular structure on viscosity and compatibility. The results showed that the viscosity contribution of SBS is determined by its molecular structure and phase morphology.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Artem A. Petrov, Ekaterina A. Titova, Aydar A. Akhmadiyarov, Ilnaz T. Rakipov, Boris N. Solomonov
Summary: This work focuses on the thermochemistry of solvation of azeotropes. The enthalpies of dissolution of azeotropes in different mediums were determined, and the impact of the structure of the azeotropes on their properties in solution was discussed. A correlation between enthalpies of solvation and molar refraction was used to determine the vaporization enthalpies of azeotropes for the first time. The results were found to be consistent with literature data, obtained using direct and calculated methods. These findings contribute to the analysis of the structure-property relationships of azeotropes.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
L. V. Kamaeva, E. N. Tsiok, N. M. Chtchelkatchev
Summary: Understanding the correlations between liquids and solids allows us to predict the thermodynamic parameter range favorable for the formation of intriguing solid phases by studying liquids. In this study, we experimentally and theoretically investigated an Al-Cu-Co system within different composition ranges, and identified high-temperature solid phases. Our findings demonstrated the correlation between the boundaries of different solid phases and undercooling and viscosity in the concentration area.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
R. Aneesh Kumar, S. Jamelah Al-Otaibi, Y. Sheena Mary, Y. Shyma Mary, Nivedita Acharjee, Renjith Thomas, Renjith Raveendran Pillai, T. L. Leena
Summary: In this study, the interactions between doped and pristine coronenes and adenine nucleobases were investigated using Density Functional Theory. The optimal configurations, adsorption energies, charge transfer, and electrical properties of each complex were calculated. It was found that doped coronene had stronger adsorption strength and charge transfer compared to pristine coronene. The stability of the complexes was attributed to non-covalent interactions in the interactive region. The change in electrical conductivity of coronenes after adsorption suggested their sensitivity towards DNA bases. The predicted energy gap and prolonged recovery time for adenine-coronene configurations indicated the potential application of pristine/doped coronene in DNA detection.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Gang Zhou, Yongwei Liu, Biao Sun, Zengxin Liu, Cuicui Xu, Rulin Liu, Qi Zhang, Yongmei Wang
Summary: The CFD-DEM method was used to simulate the dust deposition pattern in the bronchus of anchor digging drivers, revealing the highest dust concentration in the vortex region of the working face. The study also found a positive correlation between dust particle diameter and bronchial deposition rate, and a negative correlation with alveolar deposition rate.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Yan Zhang, Yafei Luo, Lingkai Tang, Mingyan E, Jianping Hu
Summary: This study investigates the effects of different transition metal decorations on B12N12 nanocages on the adsorption properties of nitrosourea drugs using computational methods. The results reveal the presence of weak non-covalent interactions between metals and nanocages, and the interaction between drugs and nanocages plays a significant role in drug adsorption. Compared to free drugs, the adsorption of drugs on nanocages can facilitate electron transfer, reduce energy gaps and chemical hardness, indicating activity at the target site.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
C. I. Alcolado, J. Poblete, L. Garcia-Rio, E. Jimenez, F. J. Poblete
Summary: In this study, the selective oxidation of aromatic aldehydes was investigated using Ru(VI) as a catalyst and hexacyanoferrate (III) as a cooxidant in an alkaline medium. The reaction mechanism involves complex reaction orders for the oxidant and the aromatic aldehyde, while the reaction order for Ru(VI) is one. The proposed mechanism includes two catalytic cycles and the formation and decomposition of complexes. Quantitative structure-activity relationship analysis showed that deactivating groups in the para-position enhance the process.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Inez A. Barbieri, Marcos L. S. Oliveira, Franciele S. Bruckmann, Theodoro R. Salles, Leonardo Zancanaro, Luis F. O. Silva, Guilherme L. Dotto, Eder C. Lima, Mu. Naushad, Cristiano R. Bohn Rhoden
Summary: This study evaluated the adsorption of zolpidem on magnetic graphene oxide and synthesized magnetic graphene oxide adsorbents for zolpidem removal. The best magnetic nanoadsorbent was found to have a removal percentage of 87.07% at specific pH and temperature conditions. The results suggest that the removal of zolpidem is related to the surface chemistry of the adsorbent rather than the surface area of graphene oxide. The adsorbent showed excellent adsorption efficiency and magnetic behavior, making it a promising material for removing zolpidem from aqueous solutions.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Hongyan Huang, Chunquan Li, Siyuan Huang, Yuling Shang
Summary: This study examines the sensitivity of the thermal conductivity of water-based alumina nanofluids to changes in concentration, sphericity, and temperature. The results show that volume fraction and temperature have a significant impact on the thermal conductivity, while sphericity also needs to be considered. A support vector machine regression model was created to analyze the sensitivity of the thermal conductivity to different parameters. The findings indicate that temperature, sphericity, and volume fraction are the most sensitive variables.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Correction
Chemistry, Physical
V. M. Pergamenshchik, T. Bryk, A. Trokhymchuk
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Valentyn Rudenko, Anatolii Tolochko, Svitlana Bugaychuk, Dmytro Zhulai, Gertruda Klimusheva, Galina Yaremchuk, Tatyana Mirnaya, Yuriy Garbovskiy
Summary: This paper reports on the synthesis, structural characterization, spectral and nonlinear-optical properties of glass nanocomposites made of glass forming ionic liquid crystals and nanoparticles. The study reveals that by exciting the nanocomposites within their absorption band, a control over effective optical nonlinearities can be achieved, allowing the modification of the magnitude and sign of the effective nonlinear absorption coefficient. The proposed strategy using metal-alkanoates based glass-forming ionic liquid crystals and nanoparticles shows great potential for the development of nanophotonics and plasmonics technologies.
JOURNAL OF MOLECULAR LIQUIDS
(2024)