Review
Engineering, Chemical
Violeta Makareviciene, Egle Sendzikiene
Summary: The noncatalytic supercritical process in biodiesel production simplifies the process, solves the problem of catalyst recovery and regeneration, and improves the efficiency of biodiesel production.
Article
Chemistry, Physical
Aso A. Hassan, Joseph D. Smith
Summary: This study explores the non-catalyzed supercritical methanol process for continuous biodiesel production, showing that higher temperatures and pressures result in increased methyl-ester yield. The use of a new reactor technology can reduce setup costs and improve yields, while also studying the kinetics of the transesterification process under different conditions in supercritical methanol.
Article
Energy & Fuels
Maliheh Mahloujifar, Mohammadreza Mansournia
Summary: Utilizing orthorhombic phase KAlSiO4 and alkali metals-impregnated samples as catalysts can enhance the catalytic activity in the transesterification of sesame oil to biodiesel. Characterization analysis and optimization of experimental conditions revealed that the use of alkali metal impregnation method significantly increased the catalytic activity of KAlSiO4.
Article
Agricultural Engineering
Yashvir Singh, Abhishek Sharma, Nishant Kumar Singh
Summary: Supercritical methanol transesterification is an effective method for processing biodiesel, which can produce a substantial amount of biodiesel in a short period of time and solve the problems associated with catalyst processing. The study found that the reaction temperature, methanol to oil ratio, reaction time, and pressure have a significant impact on the biodiesel production in the supercritical methanol transesterification process.
BIOMASS & BIOENERGY
(2022)
Article
Chemistry, Multidisciplinary
Ondrej Pleskac, Helena Sovova, Marie Sajfrtova
Summary: Continuous flow hydrolysis of blackcurrant seed oil in supercritical carbon dioxide catalyzed by immobilized lipase Lipozyme TL IM was studied. The effects of enzyme load, pressure, temperature, and CO2 flow rate on conversion were evaluated. The regioselectivity of lipase-catalyzed hydrolysis increased the omega-3/omega-6 ratio in the produced diglycerides compared to the original oil.
JOURNAL OF CO2 UTILIZATION
(2021)
Review
Biotechnology & Applied Microbiology
Daniel A. Grajales-Hernandez, Mariana A. Armendariz-Ruiz, Fernando Lopez Gallego, Juan Carlos Mateos-Diaz
Summary: Alkyl hydroxycinnamates (AHs) are molecules of biotechnological interest with applications in cosmetics, food, and pharmaceuticals. Enzymatic approaches and immobilization techniques play a crucial role in obtaining AHs efficiently.
APPLIED MICROBIOLOGY AND BIOTECHNOLOGY
(2021)
Article
Energy & Fuels
Sarthak Baweja, Ajay Trehan, Rajan Kumar
Summary: This paper discusses the use of mustard oil as a feedstock for biodiesel production through transesterification process. By blending different ratios of mustard oil biodiesel in diesel fuel and evaluating their performance and emission parameters, it was found that the B20 blend consistently exhibits the lowest NOx emissions at different load conditions, making it the best and least emitting blend.
Article
Chemistry, Physical
Milda Gumbyte, Violeta Makareviciene, Egle Sendzikiene
Summary: In this experimental study, biodiesel was synthesized from salmon oil using Lipozyme(R)RM IM as a biocatalyst. Isoamyl alcohol was used as an acyl acceptor in the transesterification process. The aim of the study was to optimize process conditions to achieve the highest transesterification degree. Response surface methodology was used for statistical analysis and process parameter optimization. The optimal parameters for biodiesel synthesis were determined, resulting in a transesterification degree of 87.23%. The further addition of isoamyl alcohol during the transesterification process increased the degree to 96.5%.
Review
Chemistry, Multidisciplinary
Velid Demir, Mesut Akgun
Summary: Due to carbon dioxide emissions and depletion of fossil fuels, biodiesel from green sources is considered a promising alternative energy. Transesterification is the most efficient method for converting green resources into biodiesel, with factors such as alcohol-oil ratio, reaction conditions, and catalyst amount affecting the process.
Article
Pharmacology & Pharmacy
Narimane Lammari, Mehdi Louaer, Ouahida Louaer, Chawki Bensouici, Ahmed Zermane, Abdelhamid Elaissari, Abdeslam Hassen Meniai
Summary: This study focuses on the encapsulation of Sesamum indicum L. seed oil in new nanoparticles and evaluates its antioxidant and enzymatic inhibition effects. The results show that the formulation has high antidiabetic activity and moderate antiurease and anti-Alzheimer activities.
JOURNAL OF DRUG DELIVERY SCIENCE AND TECHNOLOGY
(2023)
Article
Chemistry, Physical
L. Quintana-Gomez, M. Ladero, L. Calvo
Summary: The synthesis of fatty acid methyl ester (FAMEs) biodiesel from alperujo oil using Novozym 435 and Lipozyme TL IM as catalyst in scCO2 showed improved conversion of triglycerides at higher temperatures and longer reaction times, while also decreasing residual enzyme activity.
JOURNAL OF SUPERCRITICAL FLUIDS
(2021)
Article
Agriculture, Multidisciplinary
Maria Molina-Gutierrez, Leonor Rodriguez-Sanchez, Carmen Donoro, M. Jesus Martinez, Alicia Prieto
Summary: The recombinant lipase of Ophiostoma piceae immobilized on magnetic nanoparticles shows significant sterol esterase activity, capable of efficiently catalyzing the production of stanol esters under solvent-free conditions. Through a two-step cascade reaction, fatty acid methyl esters synthesized from cooking oil wastes can be used for stanol transesterification, achieving high conversion rates.
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Yan Liu, Meng-Yu Liu, Ying-Xi Qi, Xin-Yan Jin, Han-Rui Xu, Yu-xin Chen, Shuo-ping Chen, He-ping Su
Summary: A cost-effective wax was synthesized from waste cooking oil, and it showed higher melting point, good hardness, and combustion performance compared to the original waste cooking oil. The addition of stearic acid further improved the properties of the wax. This research provides a new path for waste cooking oil recycling in economically trailing regions.
Article
Energy & Fuels
S. P. Jeevan Kumar, Vijay Kumar Garlapati, Rintu Banerjee
Summary: This study investigates the potential of using crude glycerol, a by-product of biodiesel production, to enhance lipid synthesis in Trichosporon shinodae. The results show that enzymatic transesterification coupled with ultrasonic-assisted extraction can achieve a high yield of fatty acid methyl esters (FAME) from single-cell oil. The study also characterizes the fuel properties of T. shinodae biodiesel and explores its potential as a blend with conventional fuels.
Article
Agricultural Engineering
Samuel Gemsprim Muthurathinam, Ashoka Varthanan Perumal
Summary: The lubricating ability of vegetable oil-based lubricant additives with commercially used engine lubricant is studied in this article. The biolubricant blends, such as N10, P10, P20, and N20, are capable of significantly reducing wear and have appreciable frictional coefficients. These blends can be considered as primary alternatives to conventional lubricants in the long term.
INDUSTRIAL CROPS AND PRODUCTS
(2023)
Article
Materials Science, Multidisciplinary
J. Sakthi Swarrup, Ranjan Ganguli, Giridhar Madras
Summary: This paper conducts an in-depth analysis of IPMC as sensors, revealing a correlation between IPMC metal content and water uptake. The study shows that introducing mass to the end of a high-frequency IPMC sensor improves sensing behavior, while low-frequency IPMC sensors exhibit a reverse trend. Gold coating on a high-frequency IPMC sensor decreases resonant frequency, and pre-bending with optimal mass loading benefits sensing voltage on the Au-coated HFI sensor.
JOURNAL OF INTELLIGENT MATERIAL SYSTEMS AND STRUCTURES
(2021)
Article
Chemistry, Applied
Satyapaul A. Singh, Giridhar Madras, Inkollu Sreedhar
Summary: Transition metal substituted Co3O4-ZrO(2) catalysts (NiCZ, CuCZ and FeCZ) were synthesized by PEG assisted sonochemical synthesis and showed excellent catalytic activity and stability for lean methane combustion. The presence of SO(2) in the reactant feed significantly inhibited the catalytic activity, although FeCZ exhibited superior performance compared to NiCZ and CuCZ. Characterization studies using XRD, XPS, TEM and H-2-TPR revealed structural and reducibility properties of the catalysts.
TOPICS IN CATALYSIS
(2021)
Article
Electrochemistry
N. Sethulakshmi, Subramanian Nellaiappan, Phanikumar Pentyala, Manu Sharma, Silvia Irusta, Parag A. Deshpande, Sudhanshu Sharma
Summary: This study investigates the electrocatalytic activity and redox mechanism in mixed metal sulfides, particularly focusing on CuCo2S4. The results demonstrate the synergistic effect of Co and Cu ions in enhancing oxygen evolution reaction (OER) activity, showing promising potential for novel OER catalyst development. The study not only provides insights into the surface redox processes but also offers alternative directions for the search for efficient OER catalysts.
ELECTROCHIMICA ACTA
(2021)
Article
Chemistry, Inorganic & Nuclear
Nilanjan Roy, Saroj Kumari, Ritobroto Sikdar, Anjali Sharma, Harshit, Sivaprasad Ghanta, Sudhanshu Sharma, Parag A. Deshpande, Partha P. Jana
Summary: Ni3GaSb is a compound with specific crystal structure, where the interaction between Ni-Sb and Ni-Ga plays a significant role in its electronic structure and stability. In catalytic activity testing, Ni3GaSb shows high selectivity towards acetylene hydrogenation reaction.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2021)
Review
Engineering, Chemical
Manju Verma, Gaurav A. Bhaduri, V. Sai Phani Kumar, Parag A. Deshpande
Summary: The effects of climate change are becoming increasingly evident, prompting the need for urgent action. Carbon capture utilization and storage (CCUS) represents an effective step towards mitigating climate change. Research on CO2 hydration catalysts focuses on enhancing reaction rates and reducing production costs for industrial applications.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2021)
Article
Multidisciplinary Sciences
Shashi Kumar, Parag A. Deshpande
Summary: This study investigates the thermodynamic stability of SazCA protein through molecular dynamics simulations in a temperature range of 293-393 K, revealing that the protein exhibits the highest structural stability at 353 K with increased flexibility at temperatures above. Analyses indicate that conformations at 353 K demonstrate the highest thermal stability and folding capacity, supporting a transition in folding/unfolding pathway at this temperature.
Article
Engineering, Chemical
Phanikumar Pentyala, Pinak Bhusan Mohapatra, Parag A. Deshpande
Summary: The study utilizes van der Waals-corrected density functional theory calculations to investigate the energetics of interactions between shale minerals and methane, carbon dioxide, providing detailed mechanisms behind the displacement of methane by carbon dioxide, conclusively proving the stronger adsorption of CO2 and the kinetic feasibility of its displacement, offering insights into the successful CO2 sequestration during enhanced gas recovery processes.
CHEMICAL ENGINEERING SCIENCE
(2021)
Article
Materials Science, Multidisciplinary
Manjusha C. Padole, Shivraj B. Kotkar, Parag A. Deshpande
Summary: Computational torsional deformation experiments were conducted within the framework of density functional theory using C-60, which exhibited anisotropy in the molecule leading to different topological defects. The study investigated the effects of torsional deformation on spheroid cage and strain energy, observing different isomers with varying strain energies during the deformation experiments. Stable and reactive isomers of C-60 capable of withstanding high pressures, including those induced with Stone-Wales defect, were identified.
MATERIALS TODAY COMMUNICATIONS
(2021)
Article
Engineering, Chemical
Phanikumar Pentyala, Parag A. Deshpande
Summary: This study investigates the mechanism and pathway selectivity of anodic oxidation of HCOOH over La1-xSrxCoO3 using density functional theory calculations. The results indicate that the formate-mediated direct oxidation and carboxyl-mediated direct oxidation routes are not feasible, while the surface isomerization of trans- to cis-HCOOH is the dominant reaction pathway.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2022)
Article
Chemistry, Physical
K. S. S. V. Prasad Reddy, Parag A. Deshpande
Summary: In this study, the activity of small Pd-n clusters immobilized on graphene supports for the oxidative addition of bromobenzene was investigated. The results showed that defected graphene supports act as charge donors, significantly reducing the activation barriers of oxidative addition and making them potential heterogeneous catalysts for cross-coupling reactions.
MOLECULAR CATALYSIS
(2022)
Article
Chemistry, Physical
Phanikumar Pentyala, Vibhuti Singhania, Vinay Kumar Duggineni, Parag A. Deshpande
Summary: This study employed machine learning-assisted DFT calculations to identify a set of descriptors influencing the vacancy formation energy, including metal-vacancy and metal-metal distances, and partial charges on the ions in the system. The results conclusively inferred the partial charge on Pd to be the most important factor influencing the vacancy formation energy in such solid solutions with the partial charge on Zr to play a supportive role.
MOLECULAR CATALYSIS
(2022)
Article
Chemistry, Physical
Pradeep Kumar Yadav, Saroj Kumari, Uppari Naveena, Parag A. Deshpande, Sudhanshu Sharma
Summary: We report the detailed surface chemistry of platinum, palladium, rhodium, and ruthenium substituted into lanthanum strontium cobaltate perovskite catalysts for CO oxidation. The catalysts were synthesized and characterized, and surface intermediates were probed. It was found that La1_xSrxCo1_yRhyO3 and La1_xSrxCo1_yPdyO3 showed the best activities for the reaction. DFT calculations revealed the surface phenomena responsible for altering the CO oxidation activity upon noble metal ion substitution.
APPLIED CATALYSIS A-GENERAL
(2022)
Article
Biochemistry & Molecular Biology
Shashi Kumar, Parag A. Deshpande
Summary: The fastest member of carbonic anhydrase family, SazCA, has been reported to exhibit exceptional activity in the reversible hydration reaction of carbon dioxide. This study explores the molecular basis for the difference in activity between SazCA and SspCA using molecular dynamics simulations. Our simulations reveal the presence of efficient proton shuttle between the active zinc center and His64 residue in both enzymes. However, SazCA shows a larger population of conformation favoring proton acceptance, leading to its exceptional activity.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Article
Chemistry, Physical
Manju Verma, V. Sai Phani Kumar, Shashi Kumar, Parag A. Deshpande
Summary: The mechanistic details of CO2 hydration activities of four boronic acids were investigated using density functional theory calculations, with 2,6-dibromophenylboronic acid showing the highest turnover frequency. Computational NMR and FTIR spectra analysis confirmed the biomimetic mechanism for CO2 hydration over all the boronic acid catalysts under investigation.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Chemistry, Multidisciplinary
Kumari Sushmita, Petr Formanek, Dieter Fischer, Petra Potschke, Giridhar Madras, Suryasarathi Bose
Summary: The study developed two ultrathin multilayered assemblies to address electromagnetic pollution, with enhanced structural properties and interference shielding. By interfacially stitching PC and PVDF components with a PMMA sandwich layer, the challenge of their immiscibility was overcome, improving the overall performance of the materials.
NANOSCALE ADVANCES
(2021)
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.
