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Search Results (3,204)

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Keywords = gas separation

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13 pages, 3286 KiB  
Article
Improving the NO2 Gas Sensing Performances at Room Temperature Based on TiO2 NTs/rGO Heterojunction Nanocomposites
by Yan Ling, Yunjiang Yu, Canxin Tian and Changwei Zou
Nanomaterials 2024, 14(22), 1844; https://doi.org/10.3390/nano14221844 (registering DOI) - 18 Nov 2024
Abstract
The development of energy-efficient, sensitive, and reliable gas sensors for monitoring NO2 concentrations has garnered considerable attention in recent years. In this manuscript, TiO2 nanotube arrays/reduced graphene oxide nanocomposites with varying rGO contents (TiO2 NTs/rGO) were synthesized via a two-step [...] Read more.
The development of energy-efficient, sensitive, and reliable gas sensors for monitoring NO2 concentrations has garnered considerable attention in recent years. In this manuscript, TiO2 nanotube arrays/reduced graphene oxide nanocomposites with varying rGO contents (TiO2 NTs/rGO) were synthesized via a two-step method for room temperature NO2 gas detection. From SEM and TEM images, it is evident that the rGO sheets not only partially surround the TiO2 nanotubes but also establish interconnection bridges between adjacent nanotubes, which is anticipated to enhance electron–hole separation by facilitating electron transfer. The optimized TiO2 NTs/rGO sensor demonstrated a sensitive response of 19.1 to 1 ppm of NO2, a 5.26-fold improvement over the undoped TiO2 sensor. Additionally, rGO doping significantly enhanced the sensor’s response/recovery times, reducing them from 24 s/42 s to 18 s/33 s with just 1 wt.% rGO. These enhancements are attributed to the increased specific surface area, higher concentration of chemisorbed oxygen species, and the formation of p-n heterojunctions between TiO2 and rGO within the nanocomposites. This study provides valuable insights for the development of TiO2/graphene-based gas sensors for detecting oxidizing gases at room temperature. Full article
(This article belongs to the Special Issue Design and Applications of Heterogeneous Nanostructured Materials)
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21 pages, 7220 KiB  
Article
Flotation Enrichment of Micro- and Nanosilica Formed During the Production of Silicon and Ferrosilicon
by Antonina I. Karlina, Yuliya I. Karlina and Vitaliy A. Gladkikh
Minerals 2024, 14(11), 1165; https://doi.org/10.3390/min14111165 - 17 Nov 2024
Viewed by 241
Abstract
This paper presents the results of experiments conducted on the flotation separation of cyclone dust particles. The flotation process was conducted using a laboratory flotation apparatus comprising three chambers. Experimental tests supported theoretical results of the theoretical reasoning and justification for the choice [...] Read more.
This paper presents the results of experiments conducted on the flotation separation of cyclone dust particles. The flotation process was conducted using a laboratory flotation apparatus comprising three chambers. Experimental tests supported theoretical results of the theoretical reasoning and justification for the choice of parameters that the flotation process should have in order to extract particles of such small sizes. Furthermore, this work elucidates the concept of “nanobubbles” and substantiates their viability for use in the flotation of nanoparticles, given that bubbles of such a magnitude are firmly affixed to the hydrophobic surface of particles. Bubbles of a larger size than nanoparticles will float both hydrophobic and hydrophilic particles. The effective flotation of cyclone dust from the gas cleaning of silicon and ferroalloy production provided two materials as a result. The experiments yielded insights into the rational technological parameters of the flotation mode for obtaining new products. These insights were gleaned from the preliminary conditioning (conditioning time from 0.5 to 1.5 h) of wet cyclone dust (dry dust weight of 4 kg) with liquid glass (1.4 g per 1 dm3 of pulp) in a cavitation unit at a pH value of 8.5. The flotation process was conducted in a three-chamber flotation apparatus with a volume of 0.02 m3 for a duration of 90 min, utilizing a pneumohydraulic aerator with air suction from the atmosphere. In this instance, the pulp was conveyed via a pump at a pressure of 0.4 MPa from the initial cleansing chamber into the aerator. During the flotation process, kerosene (1 mg per 1 dm3 of pulp) and pine oil (2 mg per 1 dm3 of pulp) were added as additives. The resulting products were silicon dioxide (95%) and carbon nanoparticles (94%). Full article
(This article belongs to the Section Mineral Processing and Extractive Metallurgy)
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15 pages, 2495 KiB  
Article
Synthesis Characterization and Physicochemical Properties of Rigid Alicyclic Polyimide Films Based on Bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic Dianhydride
by José Manuel Pérez-Francisco, Carla Aguilar-Lugo, Larissa Alexandrova, María O. Gonzalez-Diaz, Rita Sulub-Sulub, María Isabel Loría-Bastarrachea and Manuel Aguilar-Vega
Polymers 2024, 16(22), 3188; https://doi.org/10.3390/polym16223188 - 16 Nov 2024
Viewed by 293
Abstract
Four polyimides based on bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic dianhydride (BTD), BTD-MIMA, BTD-HFA, BTD-FND, and BTD-TPM, with different rigid substituted diamines were synthesized. The chemical structure of the polyimides was corroborated by 1H NMR spectroscopy. These polyimides were soluble in organic solvents and presented molecular [...] Read more.
Four polyimides based on bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic dianhydride (BTD), BTD-MIMA, BTD-HFA, BTD-FND, and BTD-TPM, with different rigid substituted diamines were synthesized. The chemical structure of the polyimides was corroborated by 1H NMR spectroscopy. These polyimides were soluble in organic solvents and presented molecular weights (Mn) between 39 and 70 KDa. BTD-MIMA, BTD-HFA, BTD-FND, and BTD-TPM showed thermal stability above 400 °C. These polyimides also presented high glass transition temperatures between 272 and 355 °C. The alicyclic moiety increased solubility compared with other rigid polyimides. Membrane films from BTD-MIMA and BTD-HFA exhibited the highest gas permeability compared to BTD-FND and BTD-TPM. The introduction of ortho-substituents in BTD-MIMA or bulky –CF3 groups in BTD-HFA, in combination with the alicyclic dianhydride fragment, prevented chain packing and enhanced macromolecular chain rigidity. In turn, there was a shift toward higher gas permeability coefficients for BTD-MIMA and BTD-HFA, with a moderate loss of CO2/N2 and CO2/CH4 selectivity, and they presented similar selectivities to those of other reported polyimides with alicyclic BTD moieties containing asymmetric fragments. Full article
(This article belongs to the Special Issue Polymer Thin Films and Their Applications)
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42 pages, 8067 KiB  
Review
Review of Foam with Novel CO2-Soluble Surfactants for Improved Mobility Control in Tight Oil Reservoirs
by Fajun Zhao, Mingze Sun, Yong Liu, Wenjing Sun, Qinyuan Guo, Zian Yang, Changjiang Zhang and Meng Li
Molecules 2024, 29(22), 5411; https://doi.org/10.3390/molecules29225411 (registering DOI) - 16 Nov 2024
Viewed by 385
Abstract
CO2-soluble surfactant foam systems have gained significant attention for their potential to enhance oil recovery, particularly in tight oil reservoirs where conventional water-soluble surfactants face challenges such as poor injectability and high reservoir sensitivity. This review provides a comprehensive explanation of [...] Read more.
CO2-soluble surfactant foam systems have gained significant attention for their potential to enhance oil recovery, particularly in tight oil reservoirs where conventional water-soluble surfactants face challenges such as poor injectability and high reservoir sensitivity. This review provides a comprehensive explanation of the basic theory of CO2-soluble surfactant foam, its mechanism in enhanced oil recovery (EOR), and the classification and application of various CO2-soluble surfactants. The application of these surfactants in tight oil reservoirs, where low permeability and high water sensitivity limit traditional methods, is highlighted as a promising solution to improve CO2 mobility control and increase oil recovery. The mechanism of enhanced oil recovery by CO2-soluble surfactant foam involves the effective reduction of CO2 fluidity, the decrease in oil–gas flow ratio, and the stabilization of the displacement front. Foam plays a vital role in mitigating the issues of channeling and gravity separation often caused by simple CO2 injection. The reduction in gas fluidity can be attributed to the increase in apparent viscosity and trapped gas fraction. Future research should prioritize the development of more efficient and environmentally friendly CO2-soluble surfactants. It is essential to further explore the advantages and challenges associated with their practical applications in order to maximize their potential impact. Full article
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31 pages, 839 KiB  
Review
Using Ionic Liquids to Improve CO2 Capture
by Francisco Jose Alguacil and Jose Ignacio Robla
Molecules 2024, 29(22), 5388; https://doi.org/10.3390/molecules29225388 - 15 Nov 2024
Viewed by 357
Abstract
Most of our energy consumption proceeds from the use of fossil fuels and the production of natural gas. However, the presence of impurities in this gas, like CO2, makes treatment necessary to avoid further concerns, such as greenhouse gas emissions, the [...] Read more.
Most of our energy consumption proceeds from the use of fossil fuels and the production of natural gas. However, the presence of impurities in this gas, like CO2, makes treatment necessary to avoid further concerns, such as greenhouse gas emissions, the corrosion of industrial equipment, etc.; thus, the development of CO2 capture and storage procedures is of the utmost importance in order to decrease CO2 production and mitigate its contribution to global warming. Among the CO2 capture processes available, three separation technologies are being used to achieve this goal: absorption, adsorption and membranes. To overcome some limitations of these methodologies, the joint use of these technologies with ionic liquids is gaining interest. The present work reviewed the most recent developments (for 2024) in CO2 capture using ionic liquids coupled to absorption-, adsorption- or membrane-based processes. Full article
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34 pages, 4568 KiB  
Review
Nanothermodynamics: There’s Plenty of Room on the Inside
by Ralph V. Chamberlin and Stuart M. Lindsay
Nanomaterials 2024, 14(22), 1828; https://doi.org/10.3390/nano14221828 - 15 Nov 2024
Viewed by 350
Abstract
Nanothermodynamics provides the theoretical foundation for understanding stable distributions of statistically independent subsystems inside larger systems. In this review, it is emphasized that extending ideas from nanothermodynamics to simplistic models improves agreement with the measured properties of many materials. Examples include non-classical critical [...] Read more.
Nanothermodynamics provides the theoretical foundation for understanding stable distributions of statistically independent subsystems inside larger systems. In this review, it is emphasized that extending ideas from nanothermodynamics to simplistic models improves agreement with the measured properties of many materials. Examples include non-classical critical scaling near ferromagnetic transitions, thermal and dynamic behavior near liquid–glass transitions, and the 1/f-like noise in metal films and qubits. A key feature in several models is to allow separate time steps for distinct conservation laws: one type of step conserves energy and the other conserves momentum (e.g., dipole alignment). This “orthogonal dynamics” explains how the relaxation of a single parameter can exhibit multiple responses such as primary, secondary, and microscopic peaks in the dielectric loss of supercooled liquids, and the crossover in thermal fluctuations from Johnson–Nyquist (white) noise at high frequencies to 1/f-like noise at low frequencies. Nanothermodynamics also provides new insight into three basic questions. First, it gives a novel solution to Gibbs’ paradox for the entropy of the semi-classical ideal gas. Second, it yields the stable equilibrium of Ising’s original model for finite-sized chains of interacting binary degrees of freedom (“spins”). Third, it confronts Loschmidt’s paradox for the arrow of time, showing that an intrinsically irreversible step is required for maximum entropy and the second law of thermodynamics, not only in the thermodynamic limit but also in systems as small as N=2 particles. Full article
(This article belongs to the Section Synthesis, Interfaces and Nanostructures)
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15 pages, 1948 KiB  
Article
Optimization of Liquid Phase Catalytic Exchange Process for Hydrogen Isotope Separation Using Orthogonal Experiment Design
by Jingwei Hou, Jiamao Li, Chengjian Xiao, Heyi Wang, Hongwen Huang and Shuming Peng
Processes 2024, 12(11), 2549; https://doi.org/10.3390/pr12112549 - 14 Nov 2024
Viewed by 473
Abstract
The Liquid Phase Catalytic Exchange (LPCE) process plays a pivotal role in the separation of hydrogen isotopes, particularly in applications such as tritium removal in heavy water reactors. Effective separation is crucial for maintaining reactor safety and efficiency. In this study, the optimal [...] Read more.
The Liquid Phase Catalytic Exchange (LPCE) process plays a pivotal role in the separation of hydrogen isotopes, particularly in applications such as tritium removal in heavy water reactors. Effective separation is crucial for maintaining reactor safety and efficiency. In this study, the optimal operating conditions for the LPCE process were determined through orthogonal experiments and validated in different hydrogen isotope systems. The experiments investigated key operational parameters, including the filling ratio of catalyst to packing (FR), operating temperature (T), superficial gas velocity (V), and gas-to-liquid flow rate ratio (λ), using a robust L16 orthogonal experiment design. The results indicated that V and FR had the most significant effects on the height equivalent to a theoretical plate (HETP), while λ exhibited the greatest impact on dedeuterization efficiency (DE). The optimal conditions obtained were V = 0.1 m/s, FR = 1:2, T = 70 °C, and λ = 2.5. Furthermore, the reproducibility of the optimal conditions was verified in LPCE columns with varying diameters (1.5 cm, 2.5 cm, 4.5 cm). Additionally, the findings were applied to both H-D and D-T separation systems, demonstrating consistency in mass transfer efficiency and validating the applicability of the optimal conditions in different hydrogen isotope separations. This research provides critical insights for optimizing tritium removal systems in heavy water reactors, contributing to enhanced reactor safety and performance. Full article
(This article belongs to the Section Catalysis Enhanced Processes)
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12 pages, 4647 KiB  
Article
The Effect of Insulin-like Growth Factor-1 on the Quantitative and Qualitative Composition of Phosphoinositide Cycle Components During the Damage and Regeneration of Somatic Nerves
by Marina Parchaykina, Elena Chudaikina, Elvira Revina, Ivan Molchanov, Anastasia Zavarykina, Egor Popkov and Victor Revin
Sci. Pharm. 2024, 92(4), 60; https://doi.org/10.3390/scipharm92040060 - 14 Nov 2024
Viewed by 495
Abstract
One of the pressing issues in regenerative medicine is the restoration of somatic nerve function after injury. In this study, extraction methods were used to obtain lipids from nervous tissue, followed by chromatographic separation, quantitative analysis via densitometry, and qualitative and quantitative analyses [...] Read more.
One of the pressing issues in regenerative medicine is the restoration of somatic nerve function after injury. In this study, extraction methods were used to obtain lipids from nervous tissue, followed by chromatographic separation, quantitative analysis via densitometry, and qualitative and quantitative analyses of the fatty acid composition through gas chromatography. The results showed that nerve cutting results in the accumulation of all forms of phosphoinositides and a decrease in diacylglycerol (DAG) levels in both the proximal and distal segments of the nerve conductor. This phenomenon is likely attributable to the inactivation of phosphoinositide-specific phospholipase C and the activation of lipolytic enzymes, particularly phospholipases A1 and A2, resulting in an increase in the amount of free fatty acids (FFAs). The intramuscular administration of insulin-like growth factor-1 (IGF-1) was associated with enhanced phosphoinositide metabolism, increased DAG levels, reduced FFA levels, and a redistribution of fatty acids within the studied lipid fractions. The registration method of action potentials demonstrated the restoration of nerve conduction in the proximal segment of somatic nerves following the introduction of IGF-1. This correlates with our findings regarding alterations in the lipid fraction composition of damaged nerve conductors in response to the drug’s effects. Most likely, IGF-1 exerts its effects through activation of the phosphoinositide-specific phospholipase C and phosphatidylinositol-3 kinase signaling pathways, which are necessary for axonal regeneration and the restoration of functioning damaged nerve conductors. Full article
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14 pages, 5450 KiB  
Article
First Principle Study on the Z-Type Characteristic Modulation of GaN/g-C3N4 Heterojunction
by Meng-Yao Dai, Xu-Cai Zhao, Bo-Cheng Lei, Yi-Neng Huang, Li-Li Zhang, Hai Guo and Hua-Gui Wang
Molecules 2024, 29(22), 5355; https://doi.org/10.3390/molecules29225355 - 14 Nov 2024
Viewed by 271
Abstract
This study investigates the stability, electronic structure, and optical properties of the GaN/g-C3N4 heterojunction using the plane wave super-soft pseudopotential method based on first principles. Additionally, an external electric field is employed to modulate the band structure and optical properties [...] Read more.
This study investigates the stability, electronic structure, and optical properties of the GaN/g-C3N4 heterojunction using the plane wave super-soft pseudopotential method based on first principles. Additionally, an external electric field is employed to modulate the band structure and optical properties of GaN/g-C3N4. The computational results demonstrate that this heterojunction possesses a direct band gap and is classified as type II heterojunction, where the intrinsic electric field formed at the interface effectively suppresses carrier recombination. When the external electric field intensity (E) falls below −0.1 V/Å and includes −0.1 V/Å, or exceeds 0.2 V/Å, the heterojunction undergoes a transition from a type II structure to the superior Z-scheme, leading to a significant enhancement in the rate of separation of photogenerated carriers and an augmentation in its redox capability. Furthermore, the introduction of a positive electric field induces a redshift in the absorption spectrum, effectively broadening the light absorption range of the heterojunction. The aforementioned findings demonstrate that the optical properties of GaN/g-C3N4 can be precisely tuned by applying an external electric field, thereby facilitating its highly efficient utilization in the field of photocatalysis. Full article
(This article belongs to the Special Issue Photocatalytic Materials and Photocatalytic Reactions)
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10 pages, 3337 KiB  
Article
Novel Sulfamethoxazole Organotin Complexes: Synthesis, Characterization, and Hydrogen Storage Application
by Dina S. Ahmed, Noor Emad, Mohammed Kadhom, Emad Yousif and Mohammed Al-Mashhadani
Hydrogen 2024, 5(4), 872-881; https://doi.org/10.3390/hydrogen5040045 - 13 Nov 2024
Viewed by 288
Abstract
This study presents the synthesis and characterization of novel sulfamethoxazole organotin complexes and evaluates their potential for hydrogen storage applications. The synthesized complexes were characterized using various techniques, such as Nuclear Magnetic Resonance and Fourier Transform Infrared spectroscopy to determine their constructional and [...] Read more.
This study presents the synthesis and characterization of novel sulfamethoxazole organotin complexes and evaluates their potential for hydrogen storage applications. The synthesized complexes were characterized using various techniques, such as Nuclear Magnetic Resonance and Fourier Transform Infrared spectroscopy to determine their constructional and physicochemical properties. Field Emission Scanning Electron Microscopy was applied to analyze the surface morphology, and the Brunauer–Emmett–Teller method was utilized to measure the surface area. High-pressure adsorption experiments demonstrated the remarkable hydrogen storage capabilities of these complexes, with the highest hydrogen uptake of 29.1 cm3/g observed at 323 K. The results suggest that the prepared sulfamethoxazole organotin complexes have the potential to be candidates for gas separation and storage applications. Full article
(This article belongs to the Special Issue Advancements in Hydrogen Storage Materials and DFT-Based Studies)
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11 pages, 3979 KiB  
Article
Development and Performance of ZnO/MoS2 Gas Sensors for NO2 Monitoring and Protection in Library Environments
by Jia Wang, Yuting Xu, Canxin Tian, Yunjiang Yu and Changwei Zou
Coatings 2024, 14(11), 1438; https://doi.org/10.3390/coatings14111438 - 12 Nov 2024
Viewed by 393
Abstract
The presence of harmful oxidizing gases accelerates the oxidation of cellulose fibers in paper, resulting in reduced strength and fading ink. Therefore, the development of highly sensitive NO2 gas sensors for monitoring and protecting books holds significant practical value. In this manuscript, [...] Read more.
The presence of harmful oxidizing gases accelerates the oxidation of cellulose fibers in paper, resulting in reduced strength and fading ink. Therefore, the development of highly sensitive NO2 gas sensors for monitoring and protecting books holds significant practical value. In this manuscript, ZnO/MoS2 composites were synthesized using sodium molybdate and thiourea as raw materials through a hydrothermal method. The morphology and microstructure were characterized by X-ray diffraction analysis (XRD), energy dispersive spectroscopy (EDS), field emission scanning electron microscopy (SEM), and transmission electron microscopy (TEM). The ZnO/MoS2 composite exhibited a flower-like structure, with ZnO nanoparticles uniformly attached to the surface of MoS2, demonstrating advantages such as high specific surface area and good uniformity. The gas sensitivity of the ZnO/MoS2 nanocomposites reached its peak at 260 °C, with a sensitivity value around 3.5, which represents an improvement compared to pure ZnO, while also enhancing sensitivity. The resistance of the ZnO/MoS2 gas sensor remained relatively stable in air, exhibiting short response times during transitions between air and NO2 environments while consistently returning to a stable state. In addition to increasing adsorption capacity and improving light utilization efficiency, the formation of hetero-junctions at the ZnO-MoS2 interface creates an internal electric field that effectively promotes the rapid separation of photo-generated charge carriers within ZnO, thereby extending carrier lifetime. Full article
(This article belongs to the Special Issue Surface Modified Nanoparticles: For Gas and Chemical Sensors)
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14 pages, 6000 KiB  
Article
Syngas Production via Oxidative Reforming of Propane Using a CO2- and O2-Permeating Membrane
by José A. Fabián-Anguiano, Lorena G. Cuéllar-Herrera, José A. Romero-Serrano, Issis C. Romero-Ibarra, Antonieta García-Murillo, Felipe Carrillo-Romo and José Ortiz-Landeros
Membranes 2024, 14(11), 238; https://doi.org/10.3390/membranes14110238 - 12 Nov 2024
Viewed by 438
Abstract
Recently, ceramic–carbonate membrane reactors have been proposed to selectively separate CO2 at elevated temperatures and to valorize this pollutant gas by coupling a catalyzed reaction. This work explores using a membrane reactor to perform the oxidative reforming of propane by taking advantage [...] Read more.
Recently, ceramic–carbonate membrane reactors have been proposed to selectively separate CO2 at elevated temperatures and to valorize this pollutant gas by coupling a catalyzed reaction. This work explores using a membrane reactor to perform the oxidative reforming of propane by taking advantage of the CO2- and O2-permeating properties of a LiAlO2/Ag–carbonate membrane. The fabricated membrane showed excellent permeation properties, such as CO2/N2 and O2/N2 selectivity, when operating in the 725–850 °C temperature range. The membrane exhibited remarkable stability during the long-term permeation test under operating conditions, exhibiting minor microstructural and permeation changes. Then, by packing a Ni/CeO2 catalyst, the membrane reactor arrangement showed efficient syngas production, especially at temperatures above 800 °C. A hydrogen-rich syngas mixture was obtained by the contributions of the oxidative reforming and cracking reactions. Specific issues observed regarding the membrane reactor’s performance are attributed to the catalyst that was used, which experienced significant poisoning by carbon deposition during the reaction, affecting syngas production during the long-term test. Thermodynamic calculations were performed to support the experimental results. Full article
(This article belongs to the Special Issue Advanced Membrane Materials for CO2 Capture and Separation)
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21 pages, 4270 KiB  
Article
Shape Optimization of a Diffusive High-Pressure Turbine Vane Using Machine Learning Tools
by Rosario Nastasi, Giovanni Labrini, Simone Salvadori and Daniela Anna Misul
Energies 2024, 17(22), 5642; https://doi.org/10.3390/en17225642 - 11 Nov 2024
Viewed by 629
Abstract
Machine learning tools represent a key methodology for the shape optimization of complex geometries in the turbomachinery field. One of the current challenges is to redesign High-Pressure Turbine (HPT) stages to couple them with innovative combustion technologies. In fact, recent developments in the [...] Read more.
Machine learning tools represent a key methodology for the shape optimization of complex geometries in the turbomachinery field. One of the current challenges is to redesign High-Pressure Turbine (HPT) stages to couple them with innovative combustion technologies. In fact, recent developments in the gas turbine field have led to the introduction of pioneering solutions such as Rotating Detonation Combustors (RDCs) aimed at improving the overall efficiency of the thermodynamic cycle at low overall pressure ratios. In this study, a HPT vane equipped with diffusive endwalls is optimized to allow for ingesting a high-subsonic flow (Ma=0.6) delivered by a RDC. The main purpose of this paper is to investigate the prediction ability of machine learning tools in case of multiple input parameters and different objective functions. Moreover, the model predictions are used to identify the optimal solutions in terms of vane efficiency and operating conditions. A new solution that combines optimal vane efficiency with target values for both the exit flow angle and the inlet Mach number is also presented. The impact of the newly designed geometrical features on the development of secondary flows is analyzed through numerical simulations. The optimized geometry achieved strong mitigation of the intensity of the secondary flows induced by the main flow separation from the diffusive endwalls. As a consequence, the overall vane aerodynamic efficiency increased with respect to the baseline design. Full article
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25 pages, 4120 KiB  
Article
Measurement and Identification of Flame Describing Function (FDF) Based on Parallel Subsystem Model
by Zhaohui Wang, Yichen Wang and Min Zhu
Aerospace 2024, 11(11), 926; https://doi.org/10.3390/aerospace11110926 - 8 Nov 2024
Viewed by 345
Abstract
Because of the need for low pollutant emissions, industrial gas turbines typically use partially premixed gases for combustion. However, the nonlinear dynamic characteristics of partially premixed flames have not been studied sufficiently. Therefore, this study focuses on the dynamics of a partially premixed [...] Read more.
Because of the need for low pollutant emissions, industrial gas turbines typically use partially premixed gases for combustion. However, the nonlinear dynamic characteristics of partially premixed flames have not been studied sufficiently. Therefore, this study focuses on the dynamics of a partially premixed flame generated by a swirler with fuel holes on its surface and designs a flame describing function (FDF) identification method based on the parallel subsystem model. This method can separate the flame dynamic characteristics into a parallel connection of the nonlinear and linear models. The nonlinear model is related to the disturbance frequency and velocity perturbation amplitude, whereas the linear model depends only on the disturbance frequency. This method is verified using a simulation. Finally, experimental research on partially premixed flames is conducted. Based on the experimental data, the identification method successfully separates the FDF into a nonlinear model with saturation characteristics and a linear model with Gaussian distribution characteristics. The flame model obtained by the identification method is the foundation for the analysis of combustion thermoacoustic stability and active/passive control strategy. Full article
(This article belongs to the Special Issue Predicting the Onset and Control of Thermoacoustics)
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22 pages, 6774 KiB  
Article
Atomistic Modeling of Natural Gas Desulfurization Process Using Task-Specific Deep Eutectic Solvents Supported by Graphene Oxide
by Olzhas Ismagambetov, Nakhypbek Aldiyarov, Nurlan Almas, Irina Irgibaeva, Zhadyra Baitassova, Sergei Piskunov, Anuar Aldongarov and Omirzak Abdirashev
Molecules 2024, 29(22), 5282; https://doi.org/10.3390/molecules29225282 - 8 Nov 2024
Viewed by 302
Abstract
This study employs Density Functional Theory (DFT) calculations and traditional all-atom Molecular Dynamics (MD) simulations to reveal atomistic insights into a task-specific Deep Eutectic Solvent (DES) supported by graphene oxide with the aim of mimicking its application in the natural gas desulfurization process. [...] Read more.
This study employs Density Functional Theory (DFT) calculations and traditional all-atom Molecular Dynamics (MD) simulations to reveal atomistic insights into a task-specific Deep Eutectic Solvent (DES) supported by graphene oxide with the aim of mimicking its application in the natural gas desulfurization process. The DES, composed of N,N,N′,N′-tetramthyl-1,6-hexane diamine acetate (TMHDAAc) and methyldiethanolamine (MDEA) supported by graphene oxide, demonstrates improved efficiency in removing hydrogen sulfide from methane. Optimized structure and HOMO-LUMO orbital analyses reveal the distinct spatial arrangements and interactions between hydrogen sulfide, methane, and DES components, highlighting the efficacy of the DES in facilitating the separation of hydrogen sulfide from methane through DFT calculations. The radial distribution function (RDF) and interaction energies, as determined by traditional all-atom MD simulations, provide insights into the specificity and strength of the interactions between the DES components supported by graphene oxide and hydrogen sulfide. Importantly, the stability of the DES structure supported by graphene oxide is maintained after mixing with the fuel, ensuring its robustness and suitability for prolonged desulfurization processes, as evidenced by traditional all-atom MD simulation results. These findings offer crucial insights into the molecular-level mechanisms underlying the desulfurization of natural gas, guiding the design and optimization of task-specific DESs supported by graphene oxide for sustainable and efficient natural gas purification. Full article
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