Article
Energy & Fuels
Josue Alves Melo, Larissa Alves de Aquino Silva, Jandyson Machado Santos, Alberto Wisniewski Jr
Summary: This study evaluated the oxidative stability of fatty esters mixture (FEM) for biodiesel purposes and analyzed the chemical changes that occurred in these samples during a storage period of 2.5 years. The results showed differences in esters contents, which were influenced by low molecular mass compounds and free fatty acids (FFA). Contaminants with high thermal stability were also detected, and the relative abundance of ion m/z 349 was proposed as a correlation to the peroxide index values.
Article
Energy & Fuels
Leanne Silva de Sousa, Rodarte de Moura, Edmilson Miranda de Moura
Summary: The study investigated the effectiveness of natural antioxidants such as oregano, bilberry, basil extracts, and quercetin in improving the quality and stability of biodiesel during storage. It was found that oregano extract exhibited the highest antioxidant activity, followed by bilberry and basil extracts. The addition of natural antioxidants can delay the oxidative degradation process of soy biodiesel, providing economic gains and potential alternative methods for measuring oxidation stability.
Article
Mathematics, Applied
Aaron M. Crenshaw, Zhuangyi Liu, Ramon Quintanilla
Summary: In this study, we investigate a binary mixture system in which one component of the mixture has local Kelvin-Voigt damping. The well-posedness and polynomial stability of the system are demonstrated using the semigroup theory and the frequency domain approach.
MATHEMATICAL METHODS IN THE APPLIED SCIENCES
(2023)
Article
Nanoscience & Nanotechnology
Xin Zhang, Hui Cui, Rui-Biao Lin, Rajamani Krishna, Zhi-Yin Zhang, Ting Liu, Bin Liang, Banglin Chen
Summary: Efficient adsorptive separation of CH4/CO2/C2H4/C2H6 mixture was achieved using metal-organic frameworks with diverse open metal sites. Among the materials tested, HKUST-1 showed the highest separation potential due to its high IAST selectivity and ethylene adsorption capacity, making it a benchmark material for challenging quaternary separations.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Energy & Fuels
Feihong Zhang, Jun Li, Shuping Yang, Yanlan Bi
Summary: Six antioxidants were found to effectively inhibit the crystallization of biodiesel at low temperatures, resulting in reduced cold filter plugging point, solid fat content, crystallization rate, and crystal size. Different concentrations of antioxidants were required to achieve the induction period regulated by EU standards. The inhibitory effect was attributed to the insertion of antioxidants between initial crystal nucleuses through hydrogen bonds, inhibiting crystal growth and promoting a consistent crystalline form.
Article
Green & Sustainable Science & Technology
Mateus Cristian Gomes Souza, Marcelo Firmino de Oliveira, Andressa Tironi Vieira, Anizio Marcio de Faria, Antonio Carlos Ferreira Batista
Summary: Biodiesel produced from Crambe abyssinica plant shows higher oxidative stability and lower CO2 emissions compared to fossil diesel, but requires supercritical transesterification. Degumming and esterification of Crambe oil can result in biodiesel with high yield and oxidative stability.
Article
Polymer Science
Longyu Tian, Min Wang, Guangming Liao, Baoliang Liu, Sujuan Zhang, Yucheng Sun, Zhen Meng, Jintao Zhang, Zaijun Lu
Summary: Two kinds of benzoxazine monomers were synthesized and used to prepare polybenzoxazine anion exchange membranes (AEMs) with quaternary ammonium functionalization. The LQPBZ AEM exhibited better ion conductivity and alkaline stability.
Article
Mathematics, Applied
Fei Yan, Junpeng Li, Haosheng Jiang, Chongqi Zhang
Summary: This paper discusses the search for A-optimal designs for mixture polynomial models with heteroscedastic errors. It provides sufficient conditions for constructing A-optimal designs for complex mixture polynomial models by combining A-optimal designs for sub-mixture models with different heteroscedasticity structures. Several examples are presented to illustrate and verify the optimal designs based on the A-optimality criterion.
Article
Energy & Fuels
Sivashankar Arumugam, Ravikumar Muthaiyan, Silambarasan Rajendran
Summary: This research examines the oxidative stability of biodiesel blends produced from macauba and soybean after a storage period of 45 and 90 days. The study evaluates stability using measurements of specific mass, kinematic viscosity, and water content. The results indicate a significant increase in water content and acidity index values during storage, particularly in the first 45 days. At time zero, the acidity index of all samples was below the established limit, but after 90 days, only the BM100 sample remained below the limit.
ENERGY SOURCES PART A-RECOVERY UTILIZATION AND ENVIRONMENTAL EFFECTS
(2023)
Article
Mathematics, Applied
Paul Hagemann, Sebastian Neumayer
Summary: This paper analyzes the properties of invertible neural networks, with a focus on controlling the Lipschitz constants of the inverse networks. Changing the latent distribution to a Gaussian mixture model resolves the issue of exploding Lipschitz constants and significantly improves sampling quality in multimodal applications, as confirmed by numerical simulations.
Article
Economics
Fiore Tinessa
Summary: This paper investigates a class of random utility models based on the assumption of mixture distributions. A general framework is introduced, new closed-form models are obtained, and cross validation exercises on a real dataset show superior goodness of fit of these models.
TRANSPORTATION RESEARCH PART B-METHODOLOGICAL
(2021)
Article
Automation & Control Systems
Belmiro P. M. Duarte, Anthony C. Atkinson, Jose F. O. Granjo, Nuno M. C. Oliveira
Summary: This paper presents a method for D- and A-optimal design for general blending models, focusing on the process from estimating regression coefficients to finding locally optimal designs, and transforming the OED problem into an optimization problem. The approach has been applied to polynomial blending models and practical examples of interest.
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
(2021)
Article
Chemistry, Multidisciplinary
Jan R. Grols, Bernardo Castro-Dominguez
Summary: Machine learning model was developed to predict and synthesize co-amorphous mixtures, which are produced by disrupting the molecular arrangement of crystalline active pharmaceutical ingredients and maintaining them randomly. The model achieved a predictive accuracy of over 73% by analyzing a database of 418 amorphization experiments.
CRYSTAL GROWTH & DESIGN
(2022)
Article
Pharmacology & Pharmacy
Sofia Valenti, Claudio Cazorla, Michela Romanini, Josep Lluis Tamarit, Roberto Macovez
Summary: The formation of coamorphous mixtures of drugs can improve solubility and bioavailability while enhancing stability. A kinetically stable amorphous binary mixture of diazepam and nordazepam was studied. The eutectic phase diagram showed a eutectic composition of 0.18 molar fraction of nordazepam with a eutectic melting point of 395.4 +/- 1.2 K. The mixtures exhibited higher glass-transition temperatures and were stable against crystallization. Dielectric spectroscopy revealed relaxation processes in both drugs. The attractive forces within the heteromolecular dimer were confirmed by FTIR spectroscopy and DFT simulations.
Article
Thermodynamics
Rafael Cardoso Rial, Thais Cardoso Merlo, Piter Hernanny Michalski Santos, Luiz Felipe Dias Melo, Carlos Eduardo Domingues Nazario, Luiz Henrique Viana
Summary: This study aimed to evaluate the thermal and oxidative stability of ethyl soybean biodiesel (BES) samples added with Eugenia dysenterica DC. leaves extract (EFC), a plant known as cagaite in Brazil. The results showed that as the amount of EFC added to BES increased, the induction period of the stored samples also increased, exceeding the specified limit in some cases. Additionally, all the samples added with EFC exhibited increased decomposition temperatures and induction periods, indicating the role of EFC antioxidants in delaying the decomposition of BES and improving the quality of this biofuel.
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
(2022)
Article
Spectroscopy
Eduardo Maia Paiva, Rafael Luis Ribessi, Claudete Fernandes Pereira, Jarbas Jose Rodrigues Rohwedder
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2020)
Article
Energy & Fuels
Jose R. Delfino, Jose Luiz da Silva, Aldalea L. B. Marques, Nelson R. Stradiotto
Article
Chemistry, Analytical
Raquel B. S. Sawczuk, Helilma A. Pinheiro, Jose Ribamar N. Santos, Ismael C. B. Alves, Helmara D. C. Viegas, Cristina A. Lacerda, Janyeid Karla C. Sousa, Edmar P. Marques, Aldalea L. B. Marques
Summary: This study proposes a novel sensor based on multiwalled carbon nanotubes functionalised with carbonyls and iron oxide nanoparticles for the simultaneous determination of benzoquinone and catechol. The developed method successfully detects the contaminants in groundwater samples, providing a potential solution for monitoring these persistent toxic contaminants.
INTERNATIONAL JOURNAL OF ENVIRONMENTAL ANALYTICAL CHEMISTRY
(2023)
Article
Medicine, Research & Experimental
Eduardo Maia Paiva, Qi Li, Adam J. Zaczek, Claudete F. Pereira, Jarbas Jose Rodrigues Rohwedder, J. Axel Zeitler
Summary: Combining various techniques, the study confirmed the theophylline form III as a theophylline monohydrate structure; Density functional theory simulations played a key role in proving the correctness of the structure; The elusive crystal structure of theophylline form III was decisively concluded through both simulated and experimental results.
MOLECULAR PHARMACEUTICS
(2021)
Article
Chemistry, Analytical
Joseany M. S. Almeida, Ana Beatriz P. Ribeiro, Carlos A. T. Toloza, Ismael C. B. Alves, Jose Ribamar N. Santos, Lorena C. M. De Azevedo, Ricardo Q. Aucelio, Aldalea L. B. Marques
Summary: The study utilized SWAdSV to quantitate iron in ethanol and biodiesel using BiFE electrode to promote reduction of PAN-complexed Fe (III). Ni (II) was identified as a significant interference, with Cu (II), Al (III), Mn (II), Cr (III), Cd (II), Zn (II), and Pb (II) showing no significant interference under experimental conditions.
ANALYTICAL LETTERS
(2022)
Article
Environmental Sciences
Jose Ribamar Nascimento Dos Santos, Ismael Carlos Braga Alves, Aldalea Lopes Brandes Marques, Edmar Pereira Marques
Summary: This article presents a bibliometric analysis of publications on the electrochemical degradation of organic pollutants between 2001 and 2021. The analysis revealed a significant increase in the number of publications on this topic over the past 20 years. China emerged as the dominant country in research on this topic, and the University of Barcelona and the Chinese Academy of Sciences were the most productive institutions.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2022)
Article
Chemistry, Physical
Jose Ribamar Nascimento dos Santos, Ismael Carlos Braga Alves, Aldalea Lopes Brandes Marques, Edmar Pereira Marques
Summary: Ni-Ag alloys supported on reduced graphene oxide (rGO) were investigated as electrocatalysts for the oxidation of ethanol, ethylene glycol, and glycerol. Among the synthesized materials, Ni66Ag34/rGO showed the best catalytic activity with the highest peak current densities for the electrooxidation of ethanol, ethylene glycol, and glycerol.
Article
Chemistry, Multidisciplinary
Larissa C. de Menezes, Eliane R. de Sousa, Gilmar S. da Silva, Aldalea L. Brandes Marques, Helmara D. Costa Viegas, Marcelo J. Castro dos Santos
Summary: This study investigated the oxidation process of biodiesel from different feedstocks and evaluated the antioxidant activity of butylated hydroxytoluene using the Rancimat method and mid-infrared spectroscopy associated with chemometry. The results showed that different feedstocks have varying levels of resistance to oxidative degradation, and the effectiveness of the antioxidant agent also depends on the feedstock used in the production of biodiesel.
Article
Engineering, Aerospace
Otavio Carvalho, Pedro Augusto Araujo da Silva de Almeida Nava Alves, Ricardo Yvande la Cruz Cueva, Alex Oliveira Barradas Filho
Summary: This article aims to develop short-term predictive models for amplitude ionospheric scintillation through machine learning techniques. A dataset considering various factors was used, and six models were applied for prediction, showing satisfactory predictive capacity.
IEEE TRANSACTIONS ON AEROSPACE AND ELECTRONIC SYSTEMS
(2022)
Article
Energy & Fuels
Isabelle M. A. Viegas, Asmund Rinnan, Simon I. Andersen
Summary: Fluorescence spectroscopy is a promising technique for quantifying crude oil-in-water, as it provides information on both dissolved and dispersed molecules. Adding isopropanol to oil-in-water dispersions can prevent creaming of dispersed oil, but it affects the emission from crude oil. Therefore, it is not advisable to add isopropanol for oil quantification purposes by fluorescence spectroscopy.
Article
Chemistry, Multidisciplinary
Isabelle M. A. Viegas, Ingrid W. Goncalves, Beate S. Santos, Adriana Fontes, Maria Goreti C. Pereira, Claudete F. Pereira, Giovannia A. L. Pereira
Summary: This study proposes the synthesis of photoluminescent silver selenide quantum dots using experimental design techniques and mercaptosuccinic acid as a capping agent. By optimizing the synthesis conditions, the resulting nanocrystals exhibit good photoluminescence properties and are suitable for biological diagnostics.
NEW JOURNAL OF CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Jailson J. da Silva, Wedja M. dos Santos, Rafael da S. Fernandes, Adriana Fontes, Beate S. Santos, Claudete F. Pereira, Patrick Krebs, Boris Mizaikoff, Goreti Pereira, Giovannia A. L. Pereira
Summary: The study describes a simple method for synthesizing non-stoichiometric copper selenide nanocrystals with excellent localized surface plasmon resonance effects. By optimizing the Cu/stabilizer and Cu/Se molar ratios, as well as the initial pH, nanocrystals with prominent optical performance were successfully prepared.
NEW JOURNAL OF CHEMISTRY
(2021)
Article
Materials Science, Multidisciplinary
Claudete F. Pereira, Isabelle M. A. Viegas, Izabel G. Souza Sobrinha, Goreti Pereira, Giovannia A. L. Pereira, Patrick Krebs, Boris Mizaikoff
JOURNAL OF MATERIALS CHEMISTRY C
(2020)
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.