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Keywords = gas composition estimation

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33 pages, 8120 KB  
Article
Origin of the World-Class Eagle, Eagle East, and Tamarack Ni-Cu-PGE Deposits
by Robert Nowak, Chad Deering and Espree Essig
Minerals 2025, 15(8), 871; https://doi.org/10.3390/min15080871 - 18 Aug 2025
Viewed by 351
Abstract
The 1.1 Ga Mesoproterozoic Midcontinent rift hosts the Eagle, Eagle East, and Tamarack Ni-Cu-PGE deposits and Embayment Prospect. These deposits are hosted by ultramafic igneous rocks and have some of the highest Ni-Cu grades on Earth. We use new bulk-rock data and published [...] Read more.
The 1.1 Ga Mesoproterozoic Midcontinent rift hosts the Eagle, Eagle East, and Tamarack Ni-Cu-PGE deposits and Embayment Prospect. These deposits are hosted by ultramafic igneous rocks and have some of the highest Ni-Cu grades on Earth. We use new bulk-rock data and published datasets (bulk-rock, mineral chemistry, and isotopic analyses) to examine major, minor, and trace element trends of both Midcontinent rift-related alkaline and tholeiitic intrusions. In addition, we compare the geochemical data to local kimberlite-hosted lower-crustal xenoliths and local igneous (Archean) and sedimentary (Paleoproterozoic) country rocks. We found the peridotite magma compositions dominantly consist of primitive mantle compositions with varying abundances of subduction-related components, alkaline-transitional melts, and local country rock contaminates (e.g., Baraga and Animikie Basin sediments). The subduction-related components are interpreted to be derived from previous Archean and Paleoproterozoic subduction events and likely hosted within the sub-continental lithospheric mantle. Importantly, these subduction-related components are also interpreted to have acted as oxidizing agents within the melt, stabilizing sulfate (+2 FMQ (fayalite–magnetite–quartz) to FMQ) while inhibiting sulfide crystallization as the magma ascended through ~50 km of the Superior craton. This study largely corroborates the previous findings with respect to the contribution of local country rock contamination to the Eagle–Tamarack peridotite host rocks, which is estimated to be minimal (<5%). However, the incorporation of <5% reductive pelitic siltstone contamination results in strong shifts in the oxygen fugacity of the peridotite melt, from +2 FMQ to slightly below FMQ, as determined from spinel Fe3+/∑Fe ratios. This shift in oxygen fugacity resulted in the transition from total sulfate (+2 FMQ) to sulfate + sulfide (<+2 FMQ to FMQ) to total sulfide (<FMQ). This shift in oxygen fugacity is a key contributor to the formation of Ni-Cu-PGE-rich massive sulfides within the Eagle peridotite. This study presents an expanded geochemical interpretation for the exploration of Midcontinent rift-related Ni-Cu-PGE deposits to include peridotites with subduction-like signatures and contaminated via <5% reductive sedimentary country rocks. Full article
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17 pages, 1041 KB  
Review
Research Progress and Prospects of Methods for Estimating Methane Reserves in Closed Coal Mines in China
by Ying Han, Chenxiang Wang, Feiyan Zhang and Qingchao Li
Processes 2025, 13(8), 2586; https://doi.org/10.3390/pr13082586 - 15 Aug 2025
Viewed by 238
Abstract
The accurate estimation of methane reserves in closed coal mines is crucial for supporting clean energy recovery and reducing greenhouse gas emissions. This study addresses the technical challenges associated with complex geological conditions and limited post-closure data in China’s closed mines. Three mainstream [...] Read more.
The accurate estimation of methane reserves in closed coal mines is crucial for supporting clean energy recovery and reducing greenhouse gas emissions. This study addresses the technical challenges associated with complex geological conditions and limited post-closure data in China’s closed mines. Three mainstream estimation methods—the material balance, resource composition, and decline curve—are systematically reviewed and applied to a case study in the Huoxi Coalfield. Results indicate that the material balance method provides upper-bound estimates but is highly sensitive to incomplete historical data, whereas the resource composition method yields more conservative and geologically realistic values. Although the decline curve method is not applied in this case, it offers potential for forecasting when long-term monitoring data are available. A multi-method integration approach, supported by enhanced data archiving and uncertainty assessments, is recommended to improve the accuracy and reliability of methane reserve evaluations in post-mining environments. Full article
(This article belongs to the Special Issue Coalbed Methane Development Process)
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23 pages, 9894 KB  
Article
The Problem of Formation Destruction in Carbon Dioxide Storage: A Microscopic Model
by Natalia Levashova, Pavel Levashov, Dmitry Erofeev and Alla Sidorova
Algorithms 2025, 18(8), 503; https://doi.org/10.3390/a18080503 - 12 Aug 2025
Viewed by 271
Abstract
In the context of the current global transition toward low-carbon energy, the issue of CO2 utilization has become increasingly important. One of the most promising natural targets for CO2 sequestration is the terrigenous sedimentary formations found in oil, gas, [...] Read more.
In the context of the current global transition toward low-carbon energy, the issue of CO2 utilization has become increasingly important. One of the most promising natural targets for CO2 sequestration is the terrigenous sedimentary formations found in oil, gas, and coal basins. It is generally assumed that CO2 injected into such formations can be stored indefinitely in a stable form. However, the dissolution of CO2 into subsurface water leads to a reduction in pH, which may cause partial dissolution of the host formation, altering the structure of the subsurface in the injection zone. This process is relatively slow, potentially unfolding over decades or even centuries, and its long-term consequences require careful investigation through mathematical modeling. The geological formation is treated as a partially soluble porous medium, where the dissolution rate is governed by surface chemical reactions occurring at the pore boundaries. In this study, we present an applied mathematical model that captures the coupled processes of mass transport, surface chemical reactions, and the resulting microscopic changes in the pore structure of the formation. To ensure the model remains grounded in realistic geological conditions, we based it on exploration data characterizing the composition and microstructure of the pore space typical of the Cenomanian suite in northern Western Siberia. The model incorporates the dominant geochemical reactions involving calcium carbonate (calcite, CaCO3), characteristic of Cenomanian reservoir rocks. It describes the dissolution of CO2 in the pore fluid and the associated evolution of ion concentrations, specifically H+, Ca2+, and HCO3. The input parameters are derived from experimental data. While the model focuses on calcite-based formations, the algorithm can be adapted to other mineralogies with appropriate modifications to the reaction terms. The simulation domain is defined as a cubic region with a side length of 1 μm, representing a fragment of the geological formation with a porosity of 0.33. The pore space is initially filled with a mixture of liquid CO2 and water at known saturation levels. The mathematical framework consists of a system of diffusion–reaction equations describing the dissolution of CO2 in water and the subsequent mineral dissolution, coupled with a model for surface evolution of the solid phase. This model enables calculation of surface reaction rates within the porous medium and estimates the timescales over which significant changes in pore structure may occur, depending on the relative saturations of water and liquid CO2. Full article
(This article belongs to the Section Algorithms for Multidisciplinary Applications)
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18 pages, 2396 KB  
Article
Robust Nonlinear Soft Sensor for Online Estimation of Product Compositions in Heat-Integrated Distillation Column
by Nura Musa Tahir, Jie Zhang and Matthew Armstrong
ChemEngineering 2025, 9(4), 87; https://doi.org/10.3390/chemengineering9040087 - 11 Aug 2025
Viewed by 277
Abstract
This paper proposes the development of a robust nonlinear soft sensor for online estimation of product compositions in a Heat-Integrated Distillation Column (HIDiC). Traditional composition analyzers, such as gas chromatographs, are costly and suffer from long measurement delays, making them inefficient for real-time [...] Read more.
This paper proposes the development of a robust nonlinear soft sensor for online estimation of product compositions in a Heat-Integrated Distillation Column (HIDiC). Traditional composition analyzers, such as gas chromatographs, are costly and suffer from long measurement delays, making them inefficient for real-time monitoring and control. To address this, data-driven soft sensors are developed using tray temperature data obtained from a high-fidelity dynamic HIDiC simulation. The study investigates both linear and nonlinear modeling strategies for composition estimation, including principal component regression (PCR), artificial neural networks (ANNs), and, for the first time in HIDiC modeling, a Bidirectional Long Short-Term Memory (BiLSTM) network. The objective is to evaluate the capability of each method for accurate estimation of product compositions in a HIDiC. The results demonstrate that the BiLSTM-based soft sensor significantly outperforms conventional methods and offers strong potential for enhancing real-time composition estimation and control in HIDiC systems. Full article
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26 pages, 3951 KB  
Article
Exploring the Bioactive Potential and Chemical Profile of Schinus molle Essential Oil: An Integrated In Silico and In Vitro Evaluation
by Rómulo Oses, Matías Ferrando, Flavia Bruna, Patricio Retamales, Myriam Navarro, Katia Fernández, Waleska Vera, María José Larrazábal, Iván Neira, Adrián Paredes, Manuel Osorio, Osvaldo Yáñez, Martina Jacobs and Jessica Bravo
Plants 2025, 14(15), 2449; https://doi.org/10.3390/plants14152449 - 7 Aug 2025
Viewed by 659
Abstract
Chilean Schinus molle has been used in traditional medicine for effects such as antibacterial, antifungal, anti-inflammatory, analgesic, antiviral, antitumoral, antioxidant, antispasmodic, astringent, antipyretic, cicatrizant, cytotoxic, diuretic, among others. In this study, we evaluated the pharmacological potential of Schinus molle seed essential oil extract [...] Read more.
Chilean Schinus molle has been used in traditional medicine for effects such as antibacterial, antifungal, anti-inflammatory, analgesic, antiviral, antitumoral, antioxidant, antispasmodic, astringent, antipyretic, cicatrizant, cytotoxic, diuretic, among others. In this study, we evaluated the pharmacological potential of Schinus molle seed essential oil extract (SM_EO) through in vitro and in silico approaches. In vitro, the antioxidant potential was analyzed, and antitumor activity was evaluated in non-tumor and human epithelial tumor cell lines. Caenorhabditis elegans was used as a model for evaluating toxicity, and the chemical composition of the SM_EO was analyzed using gas chromatography–mass spectrometry. The oil contained four major monoterpenes: α-phellandrene (34%), β-myrcene (23%), limonene (13%), and β-phellandrene (7%). Based on quantum mechanical calculations, the reactivity of the molecules present in the SM_EO was estimated. The results indicated that α- phellandrene, β-phellandrene, and β-myrcene showed the highest nucleophilic activity. In addition, the compounds following these as candidates for antioxidant and antiproliferative activities were α-phellandrene, β-phellandrene, ρ-cymene, sabinene, caryophyllene, l-limonene, and α-pinene, highlighting β-myrcene. Based on ADME-Tox properties, it is feasible to use these compounds as new drug candidates. Moreover, the antibacterial activity MIC value obtained for B. cereus was equivalent to 2 μg/mL, and for Y. enterocolitica, S. enteritidis, and S. typhimurium, the MIC value was 32.5 μg/μL. SM_EO could selectively inhibit the proliferation of human epithelial mammary tumor MCF7 cells treated with SM_EOs at 64 and 16 ug/mL—a significant increase in BCL-2 in a dose-dependent manner—and showed low toxicity against Caenorhabditis elegans (from 10 to 0.078 mg·mL−1). These findings suggest that SM_EO may be a potential source of bioactive compounds, encouraging further investigation for applications in veterinary medicine, cosmetics, and sanitation. Full article
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25 pages, 7708 KB  
Review
A Review of Heat Transfer and Numerical Modeling for Scrap Melting in Steelmaking Converters
by Mohammed B. A. Hassan, Florian Charruault, Bapin Rout, Frank N. H. Schrama, Johannes A. M. Kuipers and Yongxiang Yang
Metals 2025, 15(8), 866; https://doi.org/10.3390/met15080866 - 1 Aug 2025
Viewed by 406
Abstract
Steel is an important product in many engineering sectors; however, steelmaking remains one of the largest CO2 emitters. Therefore, new governmental policies drive the steelmaking industry toward a cleaner and more sustainable operation such as the gas-based direct reduction–electric arc furnace process. [...] Read more.
Steel is an important product in many engineering sectors; however, steelmaking remains one of the largest CO2 emitters. Therefore, new governmental policies drive the steelmaking industry toward a cleaner and more sustainable operation such as the gas-based direct reduction–electric arc furnace process. To become carbon neutral, utilizing more scrap is one of the feasible solutions to achieve this goal. Addressing knowledge gaps regarding scrap heterogeneity (size, shape, and composition) is essential to evaluate the effects of increased scrap ratios in basic oxygen furnace (BOF) operations. This review systematically examines heat and mass transfer correlations relevant to scrap melting in BOF steelmaking, with a focus on low Prandtl number fluids (thick thermal boundary layer) and dense particulate systems. Notably, a majority of these correlations are designed for fluids with high Prandtl numbers. Even for the ones tailored for low Prandtl, they lack the introduction of the porosity effect which alters the melting behavior in such high temperature systems. The review is divided into two parts. First, it surveys heat transfer correlations for single elements (rods, spheres, and prisms) under natural and forced convection, emphasizing their role in predicting melting rates and estimating maximum shell size. Second, it introduces three numerical modeling approaches, highlighting that the computational fluid dynamics–discrete element method (CFD–DEM) offers flexibility in modeling diverse scrap geometries and contact interactions while being computationally less demanding than particle-resolved direct numerical simulation (PR-DNS). Nevertheless, the review identifies a critical gap: no current CFD–DEM framework simultaneously captures shell formation (particle growth) and non-isotropic scrap melting (particle shrinkage), underscoring the need for improved multiphase models to enhance BOF operation. Full article
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26 pages, 4687 KB  
Article
Geant4-Based Logging-While-Drilling Gamma Gas Detection for Quantitative Inversion of Downhole Gas Content
by Xingming Wang, Xiangyu Wang, Qiaozhu Wang, Yuanyuan Yang, Xiong Han, Zhipeng Xu and Luqing Li
Processes 2025, 13(8), 2392; https://doi.org/10.3390/pr13082392 - 28 Jul 2025
Viewed by 455
Abstract
Downhole kick is one of the most severe safety hazards in deep and ultra-deep well drilling operations. Traditional monitoring methods, which rely on surface flow rate and fluid level changes, are limited by their delayed response and insufficient sensitivity, making them inadequate for [...] Read more.
Downhole kick is one of the most severe safety hazards in deep and ultra-deep well drilling operations. Traditional monitoring methods, which rely on surface flow rate and fluid level changes, are limited by their delayed response and insufficient sensitivity, making them inadequate for early warning. This study proposes a real-time monitoring technique for gas content in drilling fluid based on the attenuation principle of Ba-133 γ-rays. By integrating laboratory static/dynamic experiments and Geant4-11.2 Monte Carlo simulations, the influence mechanism of gas–liquid two-phase media on γ-ray transmission characteristics is systematically elucidated. Firstly, through a comparative analysis of radioactive source parameters such as Am-241 and Cs-137, Ba-133 (main peak at 356 keV, half-life of 10.6 years) is identified as the optimal downhole nuclear measurement source based on a comparative analysis of penetration capability, detection efficiency, and regulatory compliance. Compared to alternative sources, Ba-133 provides an optimal energy range for detecting drilling fluid density variations, while also meeting exemption activity limits (1 × 106 Bq) for field deployment. Subsequently, an experimental setup with drilling fluids of varying densities (1.2–1.8 g/cm3) is constructed to quantify the inverse square attenuation relationship between source-to-detector distance and counting rate, and to acquire counting data over the full gas content range (0–100%). The Monte Carlo simulation results exhibit a mean relative error of 5.01% compared to the experimental data, validating the physical correctness of the model. On this basis, a nonlinear inversion model coupling a first-order density term with a cubic gas content term is proposed, achieving a mean absolute percentage error of 2.3% across the full range and R2 = 0.999. Geant4-based simulation validation demonstrates that this technique can achieve a measurement accuracy of ±2.5% for gas content within the range of 0–100% (at a 95% confidence interval). The anticipated field accuracy of ±5% is estimated by accounting for additional uncertainties due to temperature effects, vibration, and mud composition variations under downhole conditions, significantly outperforming current surface monitoring methods. This enables the high-frequency, high-precision early detection of kick events during the shut-in period. The present study provides both theoretical and technical support for the engineering application of nuclear measurement techniques in well control safety. Full article
(This article belongs to the Section Chemical Processes and Systems)
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27 pages, 1179 KB  
Article
Properties of Plant Extracts from Adriatic Maritime Zone for Innovative Food and Packaging Applications: Insights into Bioactive Profiles, Protective Effects, Antioxidant Potentials and Antimicrobial Activity
by Petra Babić, Tea Sokač Cvetnić, Iva Čanak, Mia Dujmović, Mojca Čakić Semenčić, Filip Šupljika, Zoja Vranješ, Frédéric Debeaufort, Nasreddine Benbettaieb, Emilie Descours and Mia Kurek
Antioxidants 2025, 14(8), 906; https://doi.org/10.3390/antiox14080906 - 24 Jul 2025
Viewed by 385
Abstract
Knowledge about the composition (volatile and non-volatile) and functionality of natural extracts from Mediterranean plants serves as a basis for their further application. In this study, five selected plants were used for the extraction of plant metabolites. Leaves and flowers of Critmum maritimum [...] Read more.
Knowledge about the composition (volatile and non-volatile) and functionality of natural extracts from Mediterranean plants serves as a basis for their further application. In this study, five selected plants were used for the extraction of plant metabolites. Leaves and flowers of Critmum maritimum, Rosmarinus officinalis, Olea europea, Phylliera latifolia and Mellisa officinalis were collected, and a total of 12 extracts were prepared. Extractions were performed under microwave-assisted conditions, with two solvent types: water (W) and a hydroalcoholic (ethanolic) solution (HA). Detailed extract analysis was conducted. Phenolics were analyzed by detecting individual bioactive compounds using high-performance liquid chromatography and by calculating total phenolic and total flavonoid content through spectrophotometric analysis. Higher concentrations of total phenolics and total flavonoids were obtained in the hydroalcoholic extracts, with the significantly highest total phenolic and flavonoid values in the rosemary hydroalcoholic extract (3321.21 mgGAE/L) and sea fennel flower extract (1794.63 mgQE/L), respectively; and the lowest phenolics in the water extract of olive leaves (204.55 mgGAE/L) and flavonoids in the water extracts of sea fennel leaves, rosemary, olive and mock privet (around 100 mgQE/L). Volatile organic compounds (VOC) were detected using HS-SPME/GC–MS (Headspace Solid-Phase Microextraction coupled with Gas Chromatography-Mass Spectrometry), and antioxidant capacity was estimated using DPPH (2,2-diphenyl-1-picrylhydrazyl assay) and FRAP (Ferric Reducing Antioxidant Power) methods. HS-SPME/GC–MS analysis of samples revealed that sea fennel had more versatile profile, with the presence of 66 and 36 VOCs in W and HA sea fennel leaf extracts, 52 and 25 in W and HA sea fennel flower extracts, 57 in rosemary W and 40 in HA, 20 in olive leaf W and 9 in HA, 27 in W mock privet and 11 in HA, and 35 in lemon balm W and 10 in HA extract. The lowest values of chlorophyll a were observed in sea fennel leaves (2.52 mg/L) and rosemary (2.21 mg/L), and chlorophyll b was lowest in sea fennel leaf and flower (2.47 and 2.25 mg/L, respectively), while the highest was determined in olive (6.62 mg/L). Highest values for antioxidant activity, determined via the FRAP method, were obtained in the HA plant extracts (up to 11,216 mgAAE/L for lemon balm), excluding the sea fennel leaf (2758 mgAAE/L) and rosemary (2616 mgAAE/L). Considering the application of these plants for fresh fish preservation, antimicrobial activity of water extracts was assessed against Vibrio fischeri JCM 18803, Vibrio alginolyticus 3050, Aeromonas hydrophila JCM 1027, Moraxella lacunata JCM 20914 and Yersinia ruckeri JCM 15110. No activity was observed against Y. ruckeri and P. aeruginosa, while the sea fennel leaf showed inhibition against V. fisheri (inhibition zone of 24 mm); sea fennel flower was active against M. lacunata (inhibition zone of 14.5 mm) and A. hydrophila (inhibition zone of 20 mm); and rosemary and lemon balm showed inhibition only against V. fisheri (inhibition zone from 18 to 30 mm). This study supports the preparation of natural extracts from Mediterranean plants using green technology, resulting in extracts rich in polyphenolics with strong antioxidant potential, but with no clear significant antimicrobial efficiency at the tested concentrations. Full article
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15 pages, 1974 KB  
Article
A Study on the Conceptual Design of a 50-Seat Supersonic Transport
by Taichi Kawanabe and Zhong Lei
Aerospace 2025, 12(7), 625; https://doi.org/10.3390/aerospace12070625 - 11 Jul 2025
Viewed by 295
Abstract
The research and development of the next generation of supersonic transports (SSTs) meets economic and environmental problems. An SST encounters critical challenges, including the need for low fuel consumption, low noise, and low gas emissions. Currently, the feasibility of developing SSTs is increasing [...] Read more.
The research and development of the next generation of supersonic transports (SSTs) meets economic and environmental problems. An SST encounters critical challenges, including the need for low fuel consumption, low noise, and low gas emissions. Currently, the feasibility of developing SSTs is increasing through the application of cutting-edge technologies, such as composite materials, advanced electric systems, sustainable aviation fuel, and innovative design methodologies. The object of this study was to perform the conceptual design of a 50-seat supersonic transport utilizing general conceptual design methods. In estimating weight and flight performance, statistical formulae were correlated with data from civil supersonic and subsonic jet transports. For wing sizing, carpet plots were created to explore the optimal combination of wing aspect ratio and wing loading. The results suggested that by utilizing advanced technologies, such as the use of a composite material for the structure, the maximum takeoff weight can potentially be reduced while still meeting design requirements. The constraint of climb gradient largely affects the maximum takeoff weight, and it is anticipated that flight performance at low speeds will be improved. Full article
(This article belongs to the Special Issue Research and Development of Supersonic Aircraft)
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15 pages, 2054 KB  
Data Descriptor
Data on Brazilian Powdered Milk Formulations for Infants of Various Age Groups: 0–6 Months, 6–12 Months, and 12–36 Months
by Francisco José Mendes dos Reis, Antonio Marcos Jacques Barbosa, Elaine Silva de Pádua Melo, Marta Aratuza Pereira Ancel, Rita de Cássia Avellaneda Guimarães, Priscila Aiko Hiane, Flavio Santana Michels, Daniele Bogo, Karine de Cássia Freitas Gielow, Diego Azevedo Zoccal Garcia, Geovanna Vilalva Freire, João Batista Gomes de Souza and Valter Aragão do Nascimento
Data 2025, 10(7), 114; https://doi.org/10.3390/data10070114 - 9 Jul 2025
Viewed by 490
Abstract
Milk powder is a key nutritional alternative to breastfeeding, but its thermal properties, which vary with temperature, can affect its quality and shelf life. However, there is little information about the physical and chemical properties of powdered milk in several countries. This dataset [...] Read more.
Milk powder is a key nutritional alternative to breastfeeding, but its thermal properties, which vary with temperature, can affect its quality and shelf life. However, there is little information about the physical and chemical properties of powdered milk in several countries. This dataset contains the result of an analysis of the aflatoxins, macroelement and microelement concentrations, oxidative stability, and fatty acid profile of infant formula milk powder. The concentrations of Al, As, Ba, Cd, Co, Cr, Cu, Fe, Mg, Mn, Mo, Ni, Pb, Se, V, and Zn in digested powdered milk samples were quantified through inductively coupled plasma optical emission spectrometry (ICP OES). Thermogravimetry (TG) and differential scanning calorimetry (DSC) were used to estimate the oxidative stability of infant formula milk powder, while the methyl esters of the fatty acids were analyzed by gas chromatography. Most milk samples showed significant concentrations of As (0.5583–1.3101 mg/kg) and Pb (0.2588–0.0847 mg/kg). The concentrations of aflatoxins G2 and B2 are below the limits established by Brazilian regulatory agencies. The thermal degradation behavior of the samples is not the same due to their fatty acid compositions. The data presented may be useful in identifying compounds present in infant milk powder used as a substitute for breast milk and understanding the mechanism of thermal stability and degradation, ensuring food safety for those who consume them. Full article
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11 pages, 2312 KB  
Article
The Fundamentals of the NP-Gram Method for the Characterisation of Pyrolysis Oils Based on the Estimated Boiling Points of Pyrolysis Products from Polypropylene
by Mihai Brebu and Katsuhide Murata
Polymers 2025, 17(13), 1855; https://doi.org/10.3390/polym17131855 - 2 Jul 2025
Viewed by 276
Abstract
The pyrolysis of polymers is a thermal processing method largely used to convert polymeric waste into valuable products such as oils and carbonaceous residues. The NP-gram method (NP standing for normal paraffins) is useful for the global characterisation of pyrolysis oils with complex [...] Read more.
The pyrolysis of polymers is a thermal processing method largely used to convert polymeric waste into valuable products such as oils and carbonaceous residues. The NP-gram method (NP standing for normal paraffins) is useful for the global characterisation of pyrolysis oils with complex composition. Here, we present the fundamental of this method, which is based on the concept of “carbon number”, in conjunction with the boiling point and the chromatographic retention time of chemical compounds. Polypropylene was selected as the model polymer due to its simple mechanism of thermal degradation. The boiling points of the main compounds in polypropylene pyrolysis oil were estimated based on the equations of Egloff and Wiener. A good correspondence was obtained for the estimated boiling points and the position of the compounds in the gas chromatogram. A distinction was made between the number of carbon atoms in the molecule and the corresponding carbon number used in characterisation of pyrolysis oils by NP-gram. Correlation with the chromatographic retention index was also discussed. The application of the NP-gram method for different polymers was also presented. Full article
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16 pages, 3653 KB  
Article
The Origin and Mixed-Source Proportion of Natural Gas in the Dixin Area of the Junggar Basin: Geochemical Insights from Molecular and Isotopic Composition
by Sizhe Deng, Dujie Hou and Wenli Ma
Appl. Sci. 2025, 15(13), 7130; https://doi.org/10.3390/app15137130 - 25 Jun 2025
Viewed by 260
Abstract
The Dixi area of the Junggar Basin has favorable petroleum geological conditions, with the Cretaceous system representing one of the principal hydrocarbon-bearing strata. However, the genetic origin and mixing characteristics of natural gas across different tectonic zones remain insufficiently understood. In this study, [...] Read more.
The Dixi area of the Junggar Basin has favorable petroleum geological conditions, with the Cretaceous system representing one of the principal hydrocarbon-bearing strata. However, the genetic origin and mixing characteristics of natural gas across different tectonic zones remain insufficiently understood. In this study, a total of 65 natural gas samples were analyzed using molecular composition and stable carbon isotopic data to determine gas origins and quantify the contributions of different source rocks. A novel multivariate mathematical analysis method was developed and applied to convert compositional and isotopic data into quantitative parameters, enabling the accurate estimation of end-member mixing ratios in natural gas. This methodological innovation addresses the challenge of interpreting multi-source gas systems under complex geological conditions. The results show that the Cretaceous natural gas in the Dixi area is derived from three main sources, comprising both oil-type gas from Permian lacustrine source rocks and coal-type gas from Carboniferous coal-measure source rocks. The calculated mixing proportions exhibit significant spatial variation: in the northern Dixi area, coal-type gas dominates (67.8–84.3%), while the southern zone presents a broader mixture (25.6–68.4% coal-type gas). In the Dongdaohaizi Depression, oil-type gas is predominant, accounting for 89.4–97.7%. This study not only clarifies the genetic classification and mixing dynamics of natural gas in the Dixi area but also provides a quantitative framework for evaluating accumulation processes and source contributions in multi-source gas reservoirs. The proposed method offers valuable guidance for assessing resources and optimizing exploration strategies in the Junggar Basin and other similar basins. Full article
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19 pages, 3048 KB  
Article
Integrating Radon/Thoron and Gamma Radiation Exposure for a Realistic Estimation of Dose Arising from Building Materials
by Mirsina M. Aghdam and Quentin Crowley
Appl. Sci. 2025, 15(12), 6470; https://doi.org/10.3390/app15126470 - 9 Jun 2025
Viewed by 508
Abstract
Long-term exposure to radon, thoron, and gamma radiation from building materials poses a significant health risk to occupants. Current methods for estimating radiation doses often fail to consider the combined impact of these sources. Based on commonly used building materials available on the [...] Read more.
Long-term exposure to radon, thoron, and gamma radiation from building materials poses a significant health risk to occupants. Current methods for estimating radiation doses often fail to consider the combined impact of these sources. Based on commonly used building materials available on the Irish market, this paper advocates for the development of a comprehensive dose estimation model that accounts for radon, thoron, and gamma radiation. To achieve this, several models and various scenarios (e.g., ventilation conditions and building characteristics) are integrated to convert radon and thoron gas doses into a common unit recognized in the existing literature. This approach enables the comparison of combined dose values with accepted radiation thresholds for building materials, typically set at 1 mSv, alongside data on material compositions. Previous studies suggested gamma radiation doses in Irish materials are unlikely to exceed 1 mSv annually. Our findings confirm this, showing gamma doses <0.4 mSv for all materials. However, combined radon–thoron doses exceeded thresholds in altered granites (e.g., Galway granite: 3.90 mSv), with thoron contributing ≤93% of total exposure due to uranium/thorium-rich minerals (e.g., monazite, zircon). Ventilation proved critical—high airflow (10 m3/h) reduced thoron doses by 90–95%, while current gamma-focused safety indices (I-index ≤ 1) inadequately addressed combined risks. These results highlight the previously underestimated importance of thoron and the necessity of multi-parameter models for regulatory compliance. The study establishes a novel framework to evaluate holistic radiation risks, urging revised standards that prioritize ventilation strategies and material mineralogy to protect public health in residential and commercial built environments. Full article
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31 pages, 5151 KB  
Article
In Vitro Determination of Cytotoxic Effects of Ten Essential Oils on Prototheca bovis, Which Causes Mastitis in Dairy Cows
by Maria Kuczyńska, Magdalena Kot, Marcin Stocki, Ewa Zapora, Tomasz Jagielski, Magdalena Perlińska-Teresiak and Aleksandra Kalińska
Int. J. Mol. Sci. 2025, 26(12), 5451; https://doi.org/10.3390/ijms26125451 - 6 Jun 2025
Viewed by 543
Abstract
Mastitis is a common condition in dairy cattle that causes huge losses globally. The inflammation is caused by the invasion of the teat canal by pathogens, including hard-to-control single-cell microalgae of the genus Prototheca. The aim of the study was the in [...] Read more.
Mastitis is a common condition in dairy cattle that causes huge losses globally. The inflammation is caused by the invasion of the teat canal by pathogens, including hard-to-control single-cell microalgae of the genus Prototheca. The aim of the study was the in vitro comparison of the antimicrobial properties of 10 selected essential oils (EOs) and amphotericin B (AMB) against Prototheca bovis strains (PRO3 and PRO7) from different regions in Poland. The antialgal effect was estimated by using toxicity tests. The chemical composition of the EOs was determined by using gas chromatography coupled with mass spectrometry. The tested EOs had significant cytotoxic effects on algal viability. A statistical analysis of the results revealed that the highest biocidal potential, at a concentration of 2%, was demonstrated by lavender, rosemary, and oregano oils, reducing the survival of the Prototheca bovis strains, on average, by 51.21%, 45.83%, and 45.15%, respectively. In comparison, AMB reduced algal viability by an average of 88% compared with the control groups. Further research into the utilization of the biocidal properties of lavender, rosemary, and oregano oil against Prototheca spp. may help to develop new forms of treatments against mastitis caused by this pathogen in the future. Full article
(This article belongs to the Special Issue Current Research in Antimicrobial Natural Products)
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Article
Risk of Flame Acceleration Due to Accumulation of Unburnt Volatiles in Zero-Gravity Condition
by Huiying Wang and Némo Decamps
Sci 2025, 7(2), 75; https://doi.org/10.3390/sci7020075 - 3 Jun 2025
Viewed by 366
Abstract
This paper investigates the influence of ventilation conditions, including oxidizer flow speed and oxygen concentration, on major species composition in favor of estimating a risk of flame acceleration at reduced gravity. A two-step chemical reaction for gas phase and a soot formation model [...] Read more.
This paper investigates the influence of ventilation conditions, including oxidizer flow speed and oxygen concentration, on major species composition in favor of estimating a risk of flame acceleration at reduced gravity. A two-step chemical reaction for gas phase and a soot formation model based on laminar smoke point are used. To calculate thermal radiation from flame, a discrete-ordinates method is coupled with a non-grey model by taking into account the radiative properties of CO, CO2, H2O and soot. The predictions provide further insights into the intimate coupling of fuel types, such as heptane and dodecane, with burning rate, flame structure and toxic emissions as a consequence of changes in ventilation conditions such as oxidizer flow velocity and oxygen concentration. From a boundary-layer microgravity flame, the CO2 to CO ratio is less than 3, and the unburnt hydrocarbons CmHn to CO ratio is less than 2, with a concentration of unburnt fuel that exceeds the Lower Flammability Limit. This finding on the production of unburnt species is contrasted to the case of a buoyancy-controlled flame at Earth gravity. Full article
(This article belongs to the Section Chemistry Science)
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