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18 pages, 3967 KiB  
Article
A Thorough Investigation of the Mechanism of theAntagonistic Effect Between Phosphorus and Basic Oxide-Forming Minerals as Flame Retardants of PolymericComposite Coatings
by Evangelia Mitropoulou, Georgios N. Mathioudakis, Amaia Soto Beobide, Athanasios Porfyris, Vassilios Dracopoulos, Kerim Kılınç, Theodosios Chatzinikolaou, Deniz Savci, Cem Gunesoglu, Joannis Kallitsis and George A. Voyiatzis
Coatings 2025, 15(8), 886; https://doi.org/10.3390/coatings15080886 - 30 Jul 2025
Viewed by 153
Abstract
Halogenated flame retardants have been amongst the most widely used and effective solutions for enhancing fire resistance. However, their use is currently strictly regulated due to serious health and environmental concerns. In this context, phosphorus-based and mineral flame retardants have emerged as promising [...] Read more.
Halogenated flame retardants have been amongst the most widely used and effective solutions for enhancing fire resistance. However, their use is currently strictly regulated due to serious health and environmental concerns. In this context, phosphorus-based and mineral flame retardants have emerged as promising alternatives. Despite this, their combined use is neither straightforward nor guaranteed to be effective. This study scrutinizes the interactions between these two classes of flame retardants (FR) through a systematic analysis aimed at elucidating the antagonistic pathways that arise from their coexistence. Specifically, this study focuses on two inorganic fillers, mineral huntite and chemically precipitated magnesium hydroxide, both of which produce basic oxides upon thermal decomposition. These fillers were incorporated into a poly(butylene terephthalate) (PBT) matrix to be utilized as advanced-mattress FR coating fabric and were subjected to a series of flammability tests. The pyrolysis products of the prepared polymeric composite compounds were isolated and thoroughly characterized using a combination of analytical techniques. Thermogravimetric analysis (TGA) and differential thermogravimetric analysis (dTGA) were employed to monitor decomposition behavior, while the char residues collected at different pyrolysis stages were examined spectroscopically, using FTIR-ATR and Raman spectroscopy, to identify their structure and the chemical reactions that led to their formation. X-ray diffraction (XRD) experiments were also conducted to complement the spectroscopic findings in the chemical composition of the resulting char residues and to pinpoint the different species that constitute them. The morphological changes of the char’s structure were monitored by scanning electron microscopy with energy dispersive X-ray spectroscopy (SEM-EDS). Finally, the Limited Oxygen Index (LOI) and UL94 (vertical sample mode) methods were used to assess the relative flammability of the samples, revealing a significant drop in flame retardancy when both types of flame retardants are present. This reduction is attributed to the neutralization of acidic phosphorus species by the basic oxides generated during the decomposition of the basic inorganic fillers, as confirmed by the characterization techniques employed. These findings underscore the challenge of combining organophosphorus with popular flame-retardant classes such as mineral or basic metal flame retardants, offering insight into a key difficulty in formulating next-generation halogen-free flame-retardant composite coatings. Full article
(This article belongs to the Special Issue Innovative Flame-Retardant Coatings for High-Performance Materials)
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14 pages, 1928 KiB  
Article
Thermal and Flammability Analysis of Polyurethane Foams with Solid and Liquid Flame Retardants: Comparative Study
by Dorota Głowacz-Czerwonka, Patrycja Zakrzewska, Beata Zygmunt-Kowalska and Iwona Zarzyka
Polymers 2025, 17(14), 1977; https://doi.org/10.3390/polym17141977 - 18 Jul 2025
Viewed by 252
Abstract
The thermal properties and flammability of rigid polyurethane foams (RPUFs) containing various flame retardants, including solid (melamine, expanded graphite (EG), Exolit OP 935, ammonium polyphosphate (APP)) and liquid (Roflam B7, Roflam PLO) types, added at 30 wt.% and 60 wt.% by weight have [...] Read more.
The thermal properties and flammability of rigid polyurethane foams (RPUFs) containing various flame retardants, including solid (melamine, expanded graphite (EG), Exolit OP 935, ammonium polyphosphate (APP)) and liquid (Roflam B7, Roflam PLO) types, added at 30 wt.% and 60 wt.% by weight have been evaluated. Thermogravimetric analysis (TGA) demonstrated enhanced thermal stability, with the maximum 10% weight loss temperature (292 °C, +34 °C vs. reference) observed for foams containing 60 wt.% Exolit OP 935 and APP. The limiting oxygen index (LOI) test demonstrated the optimal performance for 30 wt.% APP and melamine (26.4 vol.% vs. 18.7 vol.% reference). In the UL-94 test, Exolit OP 935 and APP achieved a V-0 rating. The 60 wt.% Exolit with an EG blend also demonstrated a substantial reduction in heat release rate. These findings underscore the cooperative effects of hybrid flame retardants, thereby supporting their utilization in fire-safe RPUFs for construction and transport. Full article
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18 pages, 4231 KiB  
Article
Effect Mechanism of Phosphorus-Containing Flame Retardants with Different Phosphorus Valence States on the Safety and Electrochemical Performance of Lithium-Ion Batteries
by Peng Xi, Fengling Sun, Xiaoyu Tang, Xiaoping Fan, Guangpei Cong, Ziyang Lu and Qiming Zhuo
Processes 2025, 13(7), 2248; https://doi.org/10.3390/pr13072248 - 14 Jul 2025
Viewed by 296
Abstract
With the widespread application of lithium-ion batteries (LIBs), safety performance has become a critical factor limiting the commercialization of large-scale, high-capacity LIBs. The main reason for the safety problem is that the electrolytes of LIBs are extremely flammable. Adding flame retardants to conventional [...] Read more.
With the widespread application of lithium-ion batteries (LIBs), safety performance has become a critical factor limiting the commercialization of large-scale, high-capacity LIBs. The main reason for the safety problem is that the electrolytes of LIBs are extremely flammable. Adding flame retardants to conventional electrolytes is an effective method to improve battery safety. In this paper, trimethyl phosphate (TMP) and trimethyl phosphite (TMPi) were used as research objects, and the flame-retardant test and differential scanning calorimetry (DSC) of the electrolytes configured by them were first carried out. The self-extinguishing time of the electrolyte with 5% TMP and TMPi is significantly reduced, achieving a flame-retardant effect. Secondly, the electrochemical performance of LiFePO4|Li half-cells after adding different volume ratios of TMP and TMPi was studied. Compared with TMPi5, the peak potential difference between the oxidation peak and the reduction peak of the LiFePO4|Li half-cell with TMP5 added is reduced, the battery polarization is reduced, the discharge specific capacity after 300 cycles is large, the capacity retention rate is as high as 99.6%, the discharge specific capacity is larger at different current rates, and the electrode resistance is smaller. TMPi5 causes the discharge-specific capacity to attenuate, which is more obvious at high current rates. LiFePO4|Li half-cells with 5% volume ratio of flame retardant have the best electrochemical performance. Finally, the influence mechanism of the phosphorus valence state on battery safety and electrochemical performance was compared and studied. After 300 cycles, the surface of the LiFePO4 electrode with 5% TMP added had a smoother and more uniform CEI film and higher phosphorus (P) and fluorine (F) content, which was beneficial to the improvement of electrochemical performance. The cross-section of the LiFePO4 electrode showed slight collapse and cracks, which slowed down the attenuation of battery capacity. Full article
(This article belongs to the Section Chemical Processes and Systems)
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21 pages, 3369 KiB  
Article
Thermal Runaway Critical Threshold and Gas Release Safety Boundary of 18,650 Lithium-Ion Battery in State of Charge
by Jingyu Zhao, Kexin Xing, Xinrong Jiang, Chi-Min Shu and Xiangrong Sun
Processes 2025, 13(7), 2175; https://doi.org/10.3390/pr13072175 - 8 Jul 2025
Viewed by 657
Abstract
In this study, we systematically investigated the characteristic parameter evolution laws of thermal runaway with respect to 18,650 lithium-ion batteries (LIBs) under thermal abuse conditions at five state-of-charge (SOC) levels: 0%, 25%, 50%, 75%, and 100%. In our experiments, we combined infrared thermography, [...] Read more.
In this study, we systematically investigated the characteristic parameter evolution laws of thermal runaway with respect to 18,650 lithium-ion batteries (LIBs) under thermal abuse conditions at five state-of-charge (SOC) levels: 0%, 25%, 50%, 75%, and 100%. In our experiments, we combined infrared thermography, mass loss analysis, temperature monitoring, and gas composition detection to reveal the mechanisms by which SOC affects the trigger time, critical temperature, maximum temperature, mass loss, and gas release characteristics of thermal runaway. The results showed that as the SOC increases, the critical and maximum temperatures of thermal runaway increase notably. At a 100% SOC, the highest temperature on the positive electrode side reached 1082.1 °C, and the mass loss increased from 6.90 g at 0% SOC to 25.75 g at 100% SOC, demonstrating a salient positive correlation. Gas analysis indicated that under high-SOC conditions (75% and 100%), the proportion of flammable gases such as CO and CH4 produced during thermal runaway significantly increases, with the CO/CO2 ratio exceeding 1, indicating intensified incomplete combustion and a significant increase in fire risk. In addition, flammability limit analysis revealed that the lower explosive limit for gases is lower (17–21%) at a low SOC (0%) and a high SOC (100%), indicating greater explosion risks. We also found that the composition of gases released during thermal runaway varies substantially at different SOC levels, with CO, CO2, and CH4 accounting for over 90% of the total gas volume, while toxic gases, such as HF, although present in smaller proportions, pose noteworthy hazards. Unlike prior studies that relied on post hoc analysis, this work integrates real-time multi-parameter monitoring (temperature, gas composition, and mass loss) and quantitative explosion risk modeling (flammability limits via the L-C formula). This approach reveals the unique dynamic SOC-dependent mechanisms of thermal runaway initiation and gas hazards. This study provides theoretical support for the source tracing of thermal runaway fires and the development of preventive LIB safety technology and emphasizes the critical influence of the charge state on the thermal safety of batteries. Full article
(This article belongs to the Special Issue Machine Learning Optimization of Chemical Processes)
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22 pages, 6286 KiB  
Article
Thermal Degradation and Flame Resistance Mechanism of Phosphorous-Based Flame Retardant of ABS Composites Used in 3D Printing Technology
by Rafał Oliwa, Katarzyna Bulanda and Mariusz Oleksy
Materials 2025, 18(13), 3202; https://doi.org/10.3390/ma18133202 - 7 Jul 2025
Viewed by 312
Abstract
As part of the work, polymer composites dedicated to rapid prototyping were developed, especially for 3D printing using the material extrusion technique. For this purpose, a polymer matrix was selected, which was an acrylonitrile-butadiene-styrene (ABS) terpolymer and a flame retardant, which was tetrakis [...] Read more.
As part of the work, polymer composites dedicated to rapid prototyping were developed, especially for 3D printing using the material extrusion technique. For this purpose, a polymer matrix was selected, which was an acrylonitrile-butadiene-styrene (ABS) terpolymer and a flame retardant, which was tetrakis (2,6-dimethylphenyl)-m-phenylenebisphosphate, commercially known as PX200. The effect of the presence and amount (5, 10, 15 and 20 wt.%) of the introduced additive on the rheological properties, structural properties, flammability (limiting oxygen index, LOI; UL94) and flame retardant properties (microcone calorimeter, MLC) of ABS-based composites was investigated. In addition, the mechanism of thermal degradation and flame resistance was investigated using thermogravimetric analysis, TGA and Fourier transform infrared spectroscopy, FT-IR of the residue after the MLC test. In the first part of the work, using the author’s technological line, filaments were obtained from unfilled ABS and its composites. Samples for testing were obtained by 3D printing in Fused Deposition Modeling (FDM) technology. In order to determine the quantitative and qualitative spread of fire and the effectiveness of the phosphorus flame retardant PX200 in the produced composites, the Maximum Average Rate of Heat Emission (MARHE); Fire Growth Rate Index (FIGRA); Fire Potential Index (FPI) and Flame Retardancy Index (FRI) were determined. Based on the obtained results, it was found that the aryl biphosphate used in this work exhibits activity in the gas phase, which was confirmed by quantitative assessment using data from a microcone calorimeter and non-residues after combustion and thermolysis at 700 °C. As a result, the flammability class did not change (HB40), and the LOI slightly increased to 20% for the composite with 20% flame retardant content. Moreover, this composite was characterized by the following flammability indices: pHRR = 482.9 kW/m2 (−40.3%), MARHE = 234 kW/m2 (−40.7%), FIGRA = 3.1 kW/m2·s (−56.3%), FPI = 0.061 m2·s/kW (+64.9%), FRI = 2.068 (+106.8%). Full article
(This article belongs to the Special Issue 3D Printing of Polymeric Materials)
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30 pages, 4865 KiB  
Article
Thermal Behavior and Smoke Suppression of Polyamide 6,6 Fabric Treated with ALD-ZnO and DOPO-Based Silane
by Wael Ali, Raphael Otto, Ana Raquel Lema Jimenez, Sebastian Lehmann, Eui-Young Shin, Ying Feng, Milijana Jovic, Sabyasachi Gaan, Jochen S. Gutmann, Kornelius Nielsch, Amin Bahrami and Thomas Mayer-Gall
Materials 2025, 18(13), 3195; https://doi.org/10.3390/ma18133195 - 7 Jul 2025
Viewed by 620
Abstract
Polyamide 6,6 (PA6,6) fabrics are widely used in textiles due to their high mechanical strength and chemical stability. However, their inherent flammability and melting behavior under fire pose significant safety challenges. In this study, a dual-layer flame-retardant system was developed by integrating atomic [...] Read more.
Polyamide 6,6 (PA6,6) fabrics are widely used in textiles due to their high mechanical strength and chemical stability. However, their inherent flammability and melting behavior under fire pose significant safety challenges. In this study, a dual-layer flame-retardant system was developed by integrating atomic layer deposition (ALD) of ZnO with a phosphorus–silane-based flame retardant (DOPO-ETES). ALD allowed precise control of ZnO layer thickness (50, 84, and 199 nm), ensuring uniform coating. Thermal analysis (TGA) and microscale combustion calorimetry (MCC) revealed that ZnO altered the degradation pathway of PA6,6 through catalytic effects, promoting char formation and reducing heat release. The combination of ZnO and DOPO-ETES resulted in further reductions in heat release rates. However, direct flame tests showed that self-extinguishing behavior was not achieved, emphasizing the limitations related to the melting of PA6,6. TG-IR and cone calorimetry confirmed that ZnO coatings suppressed the release of smoke-related volatiles and incomplete combustion products. These findings highlight the potential of combining metal-based catalytic flame retardants like ZnO with phosphorus-based coatings to improve flame retardancy while addressing the specific challenges of polyamide textiles. This approach may also be adapted to other fabric types and integrated with additional flame retardants, broadening its relevance for textile applications. Full article
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36 pages, 23568 KiB  
Article
Evaluation of the Reliability of Thermogravimetric Indices for Predicting Coal Performance in Utility Systems
by Krzysztof M. Czajka
Energies 2025, 18(13), 3473; https://doi.org/10.3390/en18133473 - 1 Jul 2025
Viewed by 229
Abstract
A thorough understanding of fuel behaviour is essential for designing and operating thermochemical systems. Thermogravimetric analysis (TGA) is among the most widely used fuel characterization methods, offering parameters like reactivity and ignition temperature, and enabling comprehensive fuel behaviour assessment through combined indices. This [...] Read more.
A thorough understanding of fuel behaviour is essential for designing and operating thermochemical systems. Thermogravimetric analysis (TGA) is among the most widely used fuel characterization methods, offering parameters like reactivity and ignition temperature, and enabling comprehensive fuel behaviour assessment through combined indices. This study critically examines the applicability of TGA-based indices for predicting coal performance in industrial processes such as gasification and combustion, where devolatilization, ignition, and burnout stages are key. TGA-derived data are compared with results from established methods, including drop tube furnace (DTF), pulse ignition (PI), and entrained flow reactor (EFR) tests. Findings indicate that the Volatile Matter Release Index (D2) effectively predicts DTF behaviour (R2 = 0.938, max residuals: 4.1 pp), proving useful for fast devolatilization analysis. The Flammability Index (C1) and Ignition Index (C3) correlate well with PI results (R2 = 0.927 and 0.931, max residuals: 53.3a °C), making them reliable ignition indicators. While TGA tools showed limited accuracy in burnout prediction, the proposed Modified Burnout Characteristic Index (B1′) achieved reasonable performance (R2 = 0.734, max residuals: 0.062%∙°C−1). Overall, selected TGA-based indices offer strong predictive potential for key thermochemical conversion stages. Full article
(This article belongs to the Special Issue Towards Cleaner and More Efficient Combustion)
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34 pages, 8870 KiB  
Review
Advances in Graphene-Based Flame-Retardant for Polystyrene Applications: Synthesis, Mechanisms, and Future Perspectives
by Mutawakkil Isah, Farrukh Shehzad and Mamdouh A. Al-Harthi
Polymers 2025, 17(13), 1811; https://doi.org/10.3390/polym17131811 - 29 Jun 2025
Viewed by 633
Abstract
The growing demand for fire-safe, sustainable materials has driven extensive research into advanced flame retardants particularly polystyrene (PS), a widely utilized yet inherently flammable polymer. Graphene-derived materials are considered effective flame retardants owing to their higher thermal stability, char-formation, and gas barrier properties. [...] Read more.
The growing demand for fire-safe, sustainable materials has driven extensive research into advanced flame retardants particularly polystyrene (PS), a widely utilized yet inherently flammable polymer. Graphene-derived materials are considered effective flame retardants owing to their higher thermal stability, char-formation, and gas barrier properties. However, despite these advantages, challenges such as agglomeration, high thermal conductivity, poor interfacial compatibility, and processing limitations hinder their full-scale adoption in building insulation and other applications. This review presents an in-depth analysis of recent progress in graphene-enhanced flame-retardant systems for polystyrene applications, focusing on synthesis methods, flame-retardant mechanisms, and material performance. It also discusses strategies to address these challenges, such as surface functionalization, hybrid flame-retardant formulations, optimized graphene loading, and improved dispersion techniques. Furthermore, future research directions are proposed to enhance the effectiveness and commercial viability of graphene-based flame-retardant polystyrene composites. Overcoming these challenges is essential for high-performance, eco-friendly, flame-retardant materials on a larger scale. Full article
(This article belongs to the Section Polymer Applications)
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15 pages, 2854 KiB  
Article
Development of a Hydrogen-Sensing Antenna Operating in the Microwave Region for Applications in Safety-Critical Systems
by Antonio Jefferson Mangueira Sales, Stephen Rathinaraj Benjamin, João Paulo Costa do Nascimento, Felipe Felix do Carmo, Juscelino Chaves Sales, Roterdan Fernandes Abreu, Francisco Enilton Alves Nogueira, Paulo Maria de Oliveira Silva, Marcelo Antonio Santos da Silva, José Adauto da Cruz, Enio Pontes de Deus and Antonio Sergio Bezerra Sombra
Chemosensors 2025, 13(7), 233; https://doi.org/10.3390/chemosensors13070233 - 25 Jun 2025
Viewed by 581
Abstract
Hydrogen is gaining prominence as a clean energy vector, yet its extreme flammability demands robust detection solutions for industrial safety. In this study, we present the development and experimental validation of a microwave hydrogen gas sensor based on a patch-type microstrip antenna with [...] Read more.
Hydrogen is gaining prominence as a clean energy vector, yet its extreme flammability demands robust detection solutions for industrial safety. In this study, we present the development and experimental validation of a microwave hydrogen gas sensor based on a patch-type microstrip antenna with a silver sensing element. The device operates at 5.99 GHz and was tested under controlled environmental conditions (humidity: 20 ± 0.4%, temperature: 27 ± 0.2 °C). Hydrogen exposure induces measurable shifts in the antenna’s resonant frequency due to dielectric modulation of the silver layer. The sensor exhibited a linear sensitivity of 3 kHz/ppm in the 310–600 ppm concentration range, with a residual standard deviation of 31.1 kHz and a calculated limit of detection (LOD) of approximately 31 ppm. The reflection coefficient remained below −10 dB throughout, confirming that the antenna maintains functional RF performance during sensing. These results demonstrate the sensor’s dual functionality for gas detection and communication, offering a compact and scalable platform for hydrogen safety monitoring. Full article
(This article belongs to the Special Issue Novel Materials for Gas Sensing)
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61 pages, 3950 KiB  
Review
Comprehensive Overview on the Computational, Experimental, Numerical, and Theoretical Assessments of Silica Aerogel Composites
by Aditya Abhijit Kunte, Sarthak Khandelwal and Sandeep P. Patil
J. Compos. Sci. 2025, 9(6), 306; https://doi.org/10.3390/jcs9060306 - 17 Jun 2025
Viewed by 959
Abstract
Silica aerogel (SiA) composites have gained importance due to their ability to overcome the challenges of pure SiA while retaining its superior properties. Their growing significance calls for a closer examination of its assessment methods and performance optimization strategies. Deeper understanding of various [...] Read more.
Silica aerogel (SiA) composites have gained importance due to their ability to overcome the challenges of pure SiA while retaining its superior properties. Their growing significance calls for a closer examination of its assessment methods and performance optimization strategies. Deeper understanding of various assessment methods is essential as it assists in the accurate prediction of the operational stability and environmental resilience of these composites. Addressing performance optimization also remains crucial for the mitigation of structural limitations in SiA composites. This review highlights the advancements and explores the strategies for evaluating the mechanical, thermal, flammability, and radiative properties of SiA composites. It offers an in-depth discussion, revealing not only their thermomechanical behavior, but also their remarkable resistance to fire and radiation. Additionally, this review also examines the development and refinement of theoretical and numerical models. Further, a systematic comparison of continuum mechanics-based simulations with nanoscale (molecular dynamics) simulations reveals critical insights into their accuracies, limitations, and applicability in modeling SiA composites. Exciting insights on the assessments and properties of SiA composites are explored across several experimental, theoretical, numerical, and computational studies. This review also provides an in-depth discussion of performance optimization strategies, limitations, and future prospects while briefly highlighting applications relevant to each assessment. Finally, it presents a distinctive comparative analysis of decade-long studies for each assessment, offering key insights to guide future studies. Full article
(This article belongs to the Section Composites Modelling and Characterization)
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26 pages, 4660 KiB  
Review
Ammonia–Hydrogen Dual-Fuel Combustion: Strategies for Optimizing Performance and Reducing Emissions in Internal Combustion Engines
by Cinzia Tornatore, Paolo Sementa and Francesco Catapano
Energies 2025, 18(12), 3159; https://doi.org/10.3390/en18123159 - 16 Jun 2025
Viewed by 804
Abstract
The urgent need to mitigate climate change and reduce greenhouse gas emissions has accelerated the search for sustainable and scalable energy carriers. Among the different alternatives, ammonia stands out as a promising carbon-free fuel, thanks to its high energy density, efficient storage, and [...] Read more.
The urgent need to mitigate climate change and reduce greenhouse gas emissions has accelerated the search for sustainable and scalable energy carriers. Among the different alternatives, ammonia stands out as a promising carbon-free fuel, thanks to its high energy density, efficient storage, and compatibility with existing infrastructure. Moreover, it can be produced through sustainable, green processes. However, its application in internal combustion engines is limited by several challenges, including low reactivity, narrow flammability limits, and high ignition energy. These factors can compromise combustion efficiency and contribute to increased unburned ammonia emissions. To address these limitations, hydrogen has emerged as a complementary fuel in dual-fuel configurations with ammonia. Hydrogen’s high reactivity enhances flame stability, ignition characteristics, and combustion efficiency while reducing emissions of unburned ammonia. This review examines the current status of dual-fuel ammonia and hydrogen combustion strategies in internal combustion engines and summarizes the experimental results. It highlights the potential of dual-fuel systems to optimize engine performance and minimize emissions. It identifies key challenges, knowledge gaps, and future research directions to support the development and widespread adoption of ammonia–hydrogen dual-fuel technologies. Full article
(This article belongs to the Section I1: Fuel)
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24 pages, 2652 KiB  
Article
Influence of Water Regeneration on Chemical and Process Indices in an Energy-Integrated PVC Production Process
by Arelmys Bustamante-Miranda, Eduardo Aguilar-Vásquez, Miguel Ramos-Olmos, Segundo Rojas-Flores and Ángel Darío González-Delgado
Polymers 2025, 17(12), 1639; https://doi.org/10.3390/polym17121639 - 13 Jun 2025
Viewed by 736
Abstract
Water regeneration in PVC production is a key issue to consider, given the high freshwater consumption rate of the process. This research evaluates the inherent safety of poly(vinyl chloride) (PVC) production via suspension polymerization by implementing mass and energy integration strategies in combination [...] Read more.
Water regeneration in PVC production is a key issue to consider, given the high freshwater consumption rate of the process. This research evaluates the inherent safety of poly(vinyl chloride) (PVC) production via suspension polymerization by implementing mass and energy integration strategies in combination with wastewater regeneration under a zero-liquid-discharge (ZLD) approach. The impact of these integrations on process safety was examined by considering the risks associated with the handling of hazardous materials and critical operations, as well as the reduction in waste generation. To this end, the Inherent Safety Index (ISI) methodology was employed, which quantifies hazards based on factors such as toxicity and flammability, enabling the identification of risks arising from system condition changes due to the implementation of sustainable water treatment technologies. Although the ISI methodology has been applied to various chemical processes, there are few documented cases of its specific application in PVC plants that adopt circular production strategies and water resource sustainability. Therefore, in this study, ISI was used to thoroughly evaluate each stage of the process, providing a comprehensive picture of the safety risks associated with the use of sustainable technologies. The assessment was carried out using simulation software, computer-aided process engineering (CAPE) methodologies, and information obtained from safety repositories and expert publications. Specifically, the Chemical Safety Index score was 22 points, with the highest risk associated with flammability, which scored 4 points, followed by toxicity (5 points), explosiveness (2 points), and chemical interactions, with 4 points attributed to vinyl chloride monomer (VCM). In the toxicity sub-index, both VCM and PVC received 5 points, while substances such as sodium hydroxide (NaOH) and sodium chloride (NaCl) scored 4 points. In the heat of reaction sub-index, the main reaction scored 3 points due to its high heat of reaction (−1600 kJ/kg), while the secondary reactions from PVA biodegradation scored 0 points for the anoxic reaction (−156.5 kJ/kg) and 3 points for the aerobic reaction (−2304 kJ/kg), significantly increasing the total index. The Process Safety Index scored 15 points, with the highest risk found in the inventory of hazardous substances within the inside battery limits (ISBL) of the plant, where a flow rate of 3241.75 t/h was reported (5 points). The safe equipment sub-index received 4 points due to the presence of boilers, burners, compressors, and reactors. The process structure scored 3 points, temperature 2, and pressure 1, reflecting the criticality of certain operating conditions. Despite sustainability improvements, the process still presented significant chemical and operational risks. However, the implementation of control strategies and safety measures could optimize the process, balancing sustainability and safety without compromising system viability. Full article
(This article belongs to the Special Issue Biodegradable and Functional Polymers for Food Packaging)
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20 pages, 2816 KiB  
Article
Swirling Flameless Combustion of Pure Ammonia Fuel
by Lizhen Qin, Hossein Ali Yousefi Rizi, Byeongjun Jeon and Donghoon Shin
Energies 2025, 18(12), 3104; https://doi.org/10.3390/en18123104 - 12 Jun 2025
Viewed by 357
Abstract
Ammonia combustion has garnered increasing attention due to its potential as a carbon-free fuel. Globally swirling flow in a rectangular furnace generates flameless conditions by high flue gas recirculation. The reverse air injection (RAI) technique enabled stable swirling flameless combustion of pure ammonia [...] Read more.
Ammonia combustion has garnered increasing attention due to its potential as a carbon-free fuel. Globally swirling flow in a rectangular furnace generates flameless conditions by high flue gas recirculation. The reverse air injection (RAI) technique enabled stable swirling flameless combustion of pure ammonia without auxiliary methods. Experiments with pure ammonia combustion in a swirling flameless furnace demonstrated an operable equivalence ratio (ER) range of 0.3–1.05, extending conventional flammability limits of pure ammonia as a fuel. NO emissions were reduced by 40% compared to conventional combustion, with peak concentrations of 1245 ppm at ER = 0.71 and near-zero emissions at ER = 1.05. Notably, flameless combustion exhibited lower temperature sensitivity in NO formation; however, the ER has a serious effect. Developing a simplified reaction model for ammonia combustion is crucial for computational fluid dynamics (CFD) research. A reduced kinetic mechanism comprising 36 reactions and 16 chemical species was introduced, specifically designed for efficient and precise modeling of pure ammonia flameless combustion. Combustion simulation using the eddy dissipation concept (EDC) approach confirmed the mechanism’s predictive capability, maintaining acceptable accuracy across the operating conditions. Full article
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19 pages, 3737 KiB  
Article
Phosphorus–Silicon Additive Increases the Mechanical and Fire Resistance of Epoxy Resins
by Zhe Wang, Shuaijun Guo, Wenwen Yu and Xiaohong Liang
Materials 2025, 18(12), 2753; https://doi.org/10.3390/ma18122753 - 12 Jun 2025
Viewed by 407
Abstract
Epoxy resins are limited by their flammability and brittleness. In this study, a phosphorus- and silicon-based additive was synthesized to improve fire resistance and mechanical performance. The incorporation of just 1 wt% phosphorus from this additive into epoxy resin achieved a limiting oxygen [...] Read more.
Epoxy resins are limited by their flammability and brittleness. In this study, a phosphorus- and silicon-based additive was synthesized to improve fire resistance and mechanical performance. The incorporation of just 1 wt% phosphorus from this additive into epoxy resin achieved a limiting oxygen index of 33% and a V-0 fire rating. The modified epoxy exhibited a 52.43% reduction in the peak heat release rate and a 35.70% decrease in total smoke production compared to the unmodified resin, demonstrating enhanced heat resistance and smoke suppression. Notably, the modified epoxy thermoset displayed superior mechanical properties, with tensile and impact strengths increasing by 48.41% and 130%, respectively. This research presents a promising approach for developing high-performance epoxy resins with improved flame retardancy, smoke suppression, and mechanical strength. Full article
(This article belongs to the Section Polymeric Materials)
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20 pages, 11457 KiB  
Article
Numerical Simulation of Dispersion and Ventilation of Hydrogen Clouds in Case of Leakage Inside a Large-Scale Industrial Building
by Khaled Yassin, Stephan Kelm and Ernst-Arndt Reinecke
Hydrogen 2025, 6(2), 40; https://doi.org/10.3390/hydrogen6020040 - 11 Jun 2025
Viewed by 851
Abstract
As the attention to using hydrogen as a potential energy storage medium for power generation and mobility increases, hydrogen production, storage, and transportation safety should be considered. For instance, hydrogen’s extreme physical and chemical properties and the wide range of flammable concentrations raise [...] Read more.
As the attention to using hydrogen as a potential energy storage medium for power generation and mobility increases, hydrogen production, storage, and transportation safety should be considered. For instance, hydrogen’s extreme physical and chemical properties and the wide range of flammable concentrations raise many concerns about the current safety measures in processing other flammable gases. Hydrogen cloud accumulation in the case of leakage in confined spaces can lead to reaching the hydrogen lower flammability limit (LFL) within seconds if the hydrogen is not properly evacuated from the space. At Jülich Research Centre, hydrogen mixed with natural gas is foreseen to be used as a fuel for the central heating system of the campus. In this work, the release, dispersion, formation, and spread of the hydrogen cloud in the case of hydrogen leakage inside the central utility building of the campus are numerically simulated using the OpenFOAM-based containmentFOAM CFD codes. Additionally, different ventilation scenarios are simulated to investigate the behavior of the hydrogen cloud. The results show that locating exhaust openings close to the ceiling and the potential leakage source can be the most effective way to safely evacuate hydrogen from the building. Additionally, locating the exhaust outlets near the ceiling can decrease the combustible cloud volume by more than 25% compared to side openings far below the ceiling. Also, hydrogen concentrations can reach the LFL in case of improper forced ventilation after only 8 s, while it does not exceed 0.15% in the case of natural ventilation under certain conditions. The results of this work show the significant effect of locating exhaust outlets near the ceiling and the importance of natural ventilation to mitigate the effects of hydrogen leakage. The approach illustrated in this study can be used to study hydrogen dispersion in closed buildings in case of leakage and the proper design of the ventilation outlets for closed spaces with hydrogen systems. Full article
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