Article
Energy & Fuels
Fernanda E. Pinto, Victor R. Fonseca, Lindamara M. Souza, Luciana A. Terra, Sreedhar Subramanian, Sebastien Simon, Johan Sjoblom, Thieres M. Pereira, Valdemar Lacerda, Wanderson Romao
Summary: Negative ion-mode electrospray coupled with Fourier transform ion cyclotron resonance mass spectrometry allows for high resolution and accurate ionization of polar constituents. This study characterized different asphaltene subfractions obtained through precipitation and adsorption, estimating solubility parameters and revealing a higher number of polar species in certain subfractions with a more aromatic profile. The study also found that species containing multiple heteroatoms showed higher solubility parameters, impacting the solubility of subfractions.
Article
Energy & Fuels
Eliane V. Barros, Lindamara M. Souza, Nata C. L. Madeira, Luiz S. Chinelatto, Juliana N. Bertelli, Rogerio M. Carvalho, Boniek G. Vaz, Rosineide C. Simas, Alvaro C. Neto, Valdemar Lacerda, Wanderson Romao
Summary: This study presents an alternative method for the specific isolation of ARN from calcium naphthenate deposits, by cleaning and converting the salts, successfully separating the ARN species, supported by high-resolution mass spectrometry techniques.
Article
Chemistry, Applied
Yonghong Zhu, Yuting Guo, Xuan Zhang, Feng Tian, Cheng Luo, Chongpeng Du, Tianhua Yang, Maosen Chen, Zhihui Sun, Dong Li
Summary: The structure of coal tar asphaltenes is a challenging topic in coal chemistry. This study developed a stepwise extraction method to analyze the polar molecules and structure information using mass spectrometry. The results showed that the polarity of the molecules increased with solvent polarity, and oxygen played a crucial role in the adsorption and desorption of asphaltenes.
FUEL PROCESSING TECHNOLOGY
(2022)
Article
Energy & Fuels
Yonghong Zhu, Tao Yang, Gaoyang Li, Yuting Guo, Cheng Yang, Haipeng Teng, Mulan Xu, Chongpeng Du, Chong Wang, Dong Li
Summary: The evolution law of coal tar asphaltene's polar functional groups, heteroatom species, and structure attributes at different temperatures was systematically studied. The study showed that sulfur was mostly removed during hydrotreating, while refractory oxygen and nitrogen were reserved in the asphaltenes. The temperature had a significant effect on low reactivity heteroatom compounds, with high temperature promoting hydrodeoxygenation reactions. Both primary and hydrotreated asphaltenes were dominated by island-type structures, and the proportion of island-type fragments increased after hydrotreating.
JOURNAL OF THE ENERGY INSTITUTE
(2022)
Article
Energy & Fuels
Lidya Cardozo da Silva, Jeferson Valencia Davila, Felipe Pereira Fleming, Marianny Yajaira Combariza, Boniek Gontijo Vaz
Summary: In this study, laser desorption ionization (LDI) and collision-induced dissociation (CID) experiments were introduced as effective tools for characterizing asphaltene structures. These tools facilitated the analysis of asphaltene samples enriched in different structures and proposed corresponding structures. Additionally, correlations between asphaltene structures and their stability were attempted to be established through calculating the relative percentages of product ions.
Article
Green & Sustainable Science & Technology
Xiaoyong Fan, Dong Li, Louwei Cui, Ruitian Shao, Chunran Chang, Long Yan, Bo Yang
Summary: This study used FT-ICR MS to analyze the molecular composition of heteroatomic compounds in M/LTCT asphaltenes. The results showed the presence of acidic oxygen-containing compounds and non-basic nitrogen-containing compounds. The core structures of these compounds were found to be complex aromatic ring combinations with shorter substituted alkyl side chains, making them difficult to remove through hydrogenation.
Article
Engineering, Environmental
Hongxing Jiang, Jiao Tang, Jun Li, Shizhen Zhao, Yangzhi Mo, Chongguo Tian, Xiangyun Zhang, Bin Jiang, Yuhong Liao, Yingjun Chen, Gan Zhang
Summary: Excitation emission matrix (EEM) spectra coupled with parallel factor analysis (PARAFAC) have been used to characterize brown carbon (BrC). The molecular composition of PARAFAC components is not well understood in atmospheric science, which has impeded the accurate interpretation of the chemical changes and source apportionment of BrC using EEM-PARAFAC methods. Through Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS), numerous formulas were assigned to each PARAFAC-derived fluorescent component (FC) in atmospheric PM2.5 samples, revealing differences in molecular characteristics and sources between atmospheric and hydrospheric FCs.
ENVIRONMENTAL SCIENCE & TECHNOLOGY LETTERS
(2022)
Article
Energy & Fuels
Erting Li, Yahe Zhang, Jian Wang, Hao Wu, Ni Zhou, Wanyun Ma, Julei Mi, Quan Shi
Summary: This study analyzed the organic composition of sediments from the Gaotan-1 well in the southern margin of the Junggar Basin in China. The results showed that the sediments contained organic matter rich in highly condensed asphaltenes, which might have formed in a high-temperature reservoir environment.
JOURNAL OF PETROLEUM EXPLORATION AND PRODUCTION TECHNOLOGY
(2022)
Article
Engineering, Environmental
Dennys Leyva, Muhammad Usman Tariq, Rudolf Jaffe, Fahad Saeed, Francisco Fernandez Lima
Summary: Dissolved organic matter (DOM) is considered crucial in Earth's ecological processes, yet analyzing its molecular structure remains a significant challenge. By using tandem mass spectrometry, this study identified over 1900 structural families of DOM compounds in a wetland sample, shedding light on the complexity and connectivity of DOM components.
ENVIRONMENTAL SCIENCE & TECHNOLOGY
(2022)
Article
Geochemistry & Geophysics
Bin Jiang, Yankuan Tian, Zheng Zhai, Zhao-Wen Zhan, Yuhong Liao, Yan-Rong Zou, Ping'an Peng
Summary: The study found that heteroatomic compounds in bound bitumen are better proxies of the original biogenic sources and contain more aromatic structures than in heteroatomic compounds occurring in the free bitumen. Differences in the maturity, depositional environment, and diagenetic conditions significantly influenced the composition and distribution of heteroatomic compounds in free and bound bitumen from different source rocks.
ORGANIC GEOCHEMISTRY
(2021)
Article
Environmental Sciences
Hamada Abdelrahman, Diana Hofmann, Rachel L. Sleighter, Daniel C. Olk, Anne E. Berns, Teodoro Miano, Sabry M. Shaheen, Claudio Cocozza
Summary: With the global interest in carbon sequestration in soil, it is important to understand the composition of different soil organic matter (SOM) pools. Different fractions of SOM (LFOM, POM, MHA) were extracted from agricultural soils and characterized using NMR and FT-ICR-MS. The results showed differences in chemical composition among the fractions, with LFOM and POM containing aliphatic compounds and MHA dominated by condensed hydrocarbons. This study highlights the complex factors influencing the stability and persistence of SOM and the importance of understanding SOM composition for sustainable land management and climate change mitigation.
ENVIRONMENTAL RESEARCH
(2023)
Article
Meteorology & Atmospheric Sciences
Yaling Zeng, Yanli Ning, Zhenxing Shen, Leiming Zhang, Tian Zhang, Yali Lei, Qian Zhang, Guohui Li, Hongmei Xu, Steven Sai Hang Ho, Junji Cao
Summary: Brown Carbon (BrC) molecules are known for absorbing light in specific wavelengths, with nitrogen-containing organic molecules identified as critical components of light-absorbing matters in both winter and summer seasons. The top BrC molecules were found to be responsible for the majority of absorbances in both seasons, with different relationships between nitrogen and sulfur compounds identified in winter and summer processes.
JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES
(2021)
Article
Agricultural Engineering
Konstantin Moiseenko, Olga A. Glazunova, Olga S. Savinova, Daria V. Vasina, Alexander Ya Zherebker, Natalia A. Kulikova, Evgeny N. Nikolaev, Tatiana Fedorova
Summary: The study found that during the modification of kraft lignin by Trametes hirsuta fungus, the fungus tended to degrade more reduced compounds and produce more oxidized compounds as cultivation progressed. The secretion of ligninolytic peroxidases by the fungus changed in a cascade manner, with the later secreted peroxidases showing higher substrate affinity for phenolic compounds and acting in a more specialized manner compared to the early secreted ones.
BIORESOURCE TECHNOLOGY
(2021)
Article
Engineering, Environmental
Dennys Leyva, Muhammad Usman Tariq, Rudolf Jaffe, Fahad Saeed, Francisco Fernandez-Lima
Summary: Dissolved Organic Matter (DOM) is a significant component of the global carbon cycle. This study used high-resolution mobility and ultrahigh-resolution Fourier transform ion cyclotron resonance tandem mass spectrometry (FT-ICR MS/MS) to compare four solid phase extracted (SPE) DOM samples from three freshwater ecosystems. Comparison of structural families revealed dissimilarities in the structural footprint of the samples. Inclusion of isomeric content in the structural family description suggested additional transformation pathways and/or source variations.
ENVIRONMENTAL SCIENCE & TECHNOLOGY
(2023)
Article
Environmental Sciences
Siyu Li, Mourad Harir, Philippe Schmitt-Kopplin, Michael Gonsior, Alex Enrich-Prast, David Bastviken, Juliana Valle, Fausto Machado-Silva, Norbert Hertkorn
Summary: This study investigates the processing of dissolved organic matter (DOM) in the Amazon basin using advanced analytical techniques. The study reveals the effects of different processes on the chemical composition and structural characteristics of black, white, and clear water systems. The findings suggest that the sources of DOM and the mechanisms of its transformation vary between different rivers in the Amazon basin.
SCIENCE OF THE TOTAL ENVIRONMENT
(2023)
Article
Physics, Atomic, Molecular & Chemical
Lanaia I. L. Maciel, Igor Pereira, Ruver R. F. Ramalho, Raul Ribeiro, Mauro C. X. Pinto, Boniek G. Vaz
Summary: DESI imaging is a method for investigating the distribution of neurotransmitters in brain tissues, with the potential to improve analysis sensitivity through chemical derivatization. By combining derivatization with DESI imaging, this study successfully analyzed amino acid neurotransmitters in mouse brain tissues affected by Parkinson's disease, showing promising applications in biomarker analysis.
INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
(2022)
Article
Chemistry, Applied
Ayrton M. S. Santos, Raquel C. Faria, Igor Pereira, Leomir A. S. de Lima, Carla M. Leal, Abadia R. Nascimento, Rosineide C. Simas, Nerilson M. Lima, Boniek G. Vaz
Summary: In this study, the determination of pesticide residues in tomatoes was carried out using the Paper Spray Ionization Mass Spectrometry (PSI-MS) combined with Principal Component Analysis (PCA) for differentiation of tomato varieties and quantification of pesticide residues. PSI-MS was used for metabolic profiling and PCA was applied for grouping the samples according to the tomato variety. The results demonstrated the potential of PSI-MS as a rapid and simple analytical tool for pesticide residue determination in agricultural products.
JOURNAL OF FOOD COMPOSITION AND ANALYSIS
(2022)
Article
Biochemistry & Molecular Biology
Carla Monteiro Leal, Suzana Guimaraes Leitao, Leonardo Luiz Oliveira de Mello, Isabel de Castro Rangel, Carlos Vinicius Azevedo da Silva, Milene Dias Miranda, Amanda Resende Tucci, Camilla Blanco de Assis, Carolina de Queiroz Sacramento, Natalia Fintelman-Rodrigues, Hector Henrique Ferreira Koolen, Boniek Gontijo Vaz, Rosineide Costa Simas, Gilda Guimaraes Leitao
Summary: This study found that Siparuna glycycarpa has inhibitory effects against influenza A(H1N1)pdm09 virus. Through centrifugal partition chromatography and chemical profiling, benzylisoquinolinic and aporphine alkaloids as well as glycosylated flavonoids were identified as potential compounds responsible for the antiviral activity.
Article
Engineering, Chemical
Felipe Santos Monaco, Deborah Victoria Alves de Aguiar, Gerlon de Almeida Ribeiro Oliveira, Boniek Gontijo Vaz, Luciano Morais Liao, Laiane Alves de Andrade, Indianara Conceicao Ostroski
Summary: This study investigates the ability of activated carbon from babassu coconut pericarp to remove naphthenic acids (NAs) from produced water. The results show that activated carbon from babassu coconut pericarp can effectively remove NAs and other contaminants from produced water. The adsorbent, with its microporous structure, exhibits good adsorption performance in kinetic experiments.
CHEMICAL ENGINEERING COMMUNICATIONS
(2023)
Article
Chemistry, Applied
Gesiane da Silva Lima, Gabriel Franco dos Santos, Ruver Rodrigues Feitosa Ramalho, Deborah Victoria Alves de Aguiar, Jussara Valente Roque, Lanaia Itala Louzeiro Maciel, Rosineide Costa Simas, Igor Pereira, Boniek Gontijo Vaz
Summary: This study utilized LAESI imaging to investigate the diffusion of the mycotoxin patulin from rotten to healthy areas of fruits. Patulin was detected in all mold-infected fruits, and LAESI images demonstrated the diffusion of patulin from the rotten area to unaffected parts of the fruits. The study highlights the advantage of LAESI imaging over traditional analytical methods for studying mycotoxin diffusion in fruits.
Article
Agriculture, Multidisciplinary
Cristiane Aparecida Franco, Toshik Iarley da Silva, Marlon Gomes Dias, Bruno Wesley Ferreira, Bianca Lana de Sousa, Guilherme Mateus Bousada, Robert Weingart Barreto, Boniek Gontijo Vaz, Gesiane da Silva Lima, Marcelo Henrique dos Santos, Jose Antonio Saraiva Grossi, Eduardo Vinicius Vieira Varejao
Summary: A series of tyrosol 1,2,3-triazole derivatives were synthesized and tested for phytotoxic activity on wild poinsettia, fleabane, and tropical spiderwort. While none of the compounds showed activity against two of the weed species, they exhibited strong phytotoxic effects on wild poinsettia, indicating their potential use as tools for managing this competitive weed in agricultural lands.
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
(2022)
Article
Biochemistry & Molecular Biology
Ueveton Pimentel da Silva, Bruno Wesley Ferreira, Bianca Lana de Sousa, Robert Weingart Barreto, Felipe Terra Martins, Joao Honorato de A. Neto, Boniek Gontijo Vaz, Rodolfo Rodrigues da Silva, Thais Viana Fialho Martins, Tiago Antonio de Oliveira Mendes, Eduardo Vinicius Vieira Varejao
Summary: Researchers synthesized a series of bis(ylidene) cyclohexanone compounds and tested their potential in controlling phytopathogenic fungi. Results showed that bis(pyridylmethylene) cyclohexanones exhibited high activity against the target fungi.
MOLECULAR DIVERSITY
(2023)
Review
Chemistry, Analytical
Nayara Araujo dos Santos, Maira Kerpel dos Santos, Jose Almirall, Wanderson Roma
Summary: Cannabinomics is a scientific field that focuses on studying the natural compounds found in the Cannabis plant, including cannabinoids, for various applications such as medicine, bioconstruction, materials, and biofuels. However, due to the complex chemical nature and diverse constituents of the Cannabis plant, there are still numerous unexplored applications. Therefore, further studies and advancements in analytical instrumentation and identification methods are crucial for better understanding its composition and organization.
FORENSIC CHEMISTRY
(2023)
Article
Chemistry, Analytical
Nayara Araujo dos Santos, Wanderson Romao
Summary: Cannabis is a widely distributed plant that has been used for food, textiles, and medicinal purposes throughout history. Despite its long history of use, its chemical complexity has limited our understanding of its full potential. This review article aims to provide a comprehensive overview of Cannabis science, including its composition, classification, the synthesis of its main constituents (cannabinoids), its contributions to medicine, and its recreational use. By synthesizing these main topics, readers can gain a holistic view of Cannabis.
FORENSIC CHEMISTRY
(2023)
Article
Energy & Fuels
Jarlene da C. Silva, Lindamara M. Souza, Victor R. Fonseca, Wanderson Romao, Watson Loh, Elizabete F. Lucas
Summary: The identification of petroleum molecules or classes that stabilize water-in-oil emulsions is crucial for efficient treatment methods. This study aimed to obtain fractions of interfacially active and non-interfacially active molecules from asphaltic petroleum samples and compare them to a fraction isolated from the same sample. Various spectroscopic and analytical techniques were used to characterize the samples, and the results indicated the presence of both maltenes and asphaltenes at the water-oil interface.
Article
Chemistry, Analytical
Gabriely S. Folli, Ellisson H. de Paulo, Francine D. Santos, Marcia H. C. Nascimento, Pedro H. P. da Cunha, Wanderson Romao, Paulo R. Filgueiras
Summary: The Standard Practices for Infrared Multivariate Quantitative Analysis (ASTM E1655) provide guidelines for determining physicochemical properties using multivariate calibration techniques. Partial least squares (PLS) is the most commonly used method due to its excellent prediction capabilities. This study evaluates the multicollinearity of different analytical techniques and suggests that PLS may be more effective with NIR, MIR, and H-1 NMR data.
ANALYTICAL METHODS
(2023)
Article
Chemistry, Multidisciplinary
Juliana B. Ferreira, Nayara A. dos Santos, Keyller B. Borges, Nathalia S. Conceicao, Clara S. D. Baptista, Hildegardo S. Franca, Wanderson Romao
Summary: This study presents the synthesis and characterization of hybrid molecularly imprinted polymers (MIPs) for extracting cocaine in biological samples. MIPs synthesized using caffeine and cocaine as templates were compared, and it was found that MIPs had better cocaine extraction. Restricted access molecularly imprinted polymers (RAMIPs) were also produced for comparison. The optimized method accurately quantified cocaine in urine samples.
JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY
(2023)
Article
Multidisciplinary Sciences
Fernando F. Barcelos, Thammyres A. Alves, Poliana A. R. Gazolla, Robson Ricardo Teixeira, Vagner T. de Queiroz, Milene M. Praca-fontes, Pedro A. B. Morais, Victor R. Fonseca, Wanderson Romao, Valdemar Lacerda Jr, Rodrigo Scherer, Adilson Costa
Summary: The synthesis of glycerol-fluorinated triazole derivatives and their phytotoxic and cytogenotoxic activities were evaluated. These derivatives showed effects on phytotoxic and cytogenotoxic parameters with varying degrees of efficiency. Some compounds exhibited pre-emergent inhibition behavior while all compounds showed post-emergent effects on weed control. The derivatives have potential for the development of new chemicals for weed control.
ANAIS DA ACADEMIA BRASILEIRA DE CIENCIAS
(2023)
Article
Multidisciplinary Sciences
Luciana G. P. Sodre, Laercio L. Martins, Lorraine Louise G. C. De Araujo, Danielle M. M. Franco, Boniek G. Vaz, Wanderson Romao, Valeria M. Merzel, Georgiana F. da Cruz
Summary: This study investigates the effects of biosurfactants and brine injection on the recovered petroleum composition and geochemical interpretation. Biosurfactants mainly impact low molecular weight aromatic compounds, while saturated compounds are less affected in terms of geochemical parameters.
ANAIS DA ACADEMIA BRASILEIRA DE CIENCIAS
(2022)
Article
Chemistry, Multidisciplinary
Laura Figueroa, Nayara dos Santos, Pedro Santiago, Wanderson Romao, Valdemar Lacerda Junior, Javier Ellena, Ana Micheletti, Warley Borges
Summary: Multi-drug-resistant bacteria are a global health concern that requires the discovery of new antibacterial compounds. In this study, a series of paeonol triazole and ether derivatives were synthesized using copper(I)-catalyzed reactions and evaluated for their antibacterial activity. The results showed that these reactions were effective in producing high-yield compounds with potential bioactivity.
JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY
(2022)
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.