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Keywords = kinetic equations

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21 pages, 3755 KiB  
Article
Thermal and Expansion Analysis of the Lebanese Flatbread Baking Process Using a High-Temperature Tunnel Oven
by Yves Mansour, Pierre Rahmé, Nemr El Hajj and Olivier Rouaud
Appl. Sci. 2025, 15(15), 8611; https://doi.org/10.3390/app15158611 (registering DOI) - 4 Aug 2025
Viewed by 74
Abstract
This study investigates the thermal dynamics and material behavior involved in the baking process for Lebanese flatbread, focusing on the heat transfer mechanisms, water loss, and dough expansion under high-temperature conditions. Despite previous studies on flatbread baking using impingement or conventional ovens, this [...] Read more.
This study investigates the thermal dynamics and material behavior involved in the baking process for Lebanese flatbread, focusing on the heat transfer mechanisms, water loss, and dough expansion under high-temperature conditions. Despite previous studies on flatbread baking using impingement or conventional ovens, this work presents the first experimental investigation of the traditional Lebanese flatbread baking process under realistic industrial conditions, specifically using a high-temperature tunnel oven with direct flame heating, extremely short baking times (~10–12 s), and peak temperatures reaching ~650 °C, which are essential to achieving the characteristic pocket formation and texture of Lebanese bread. This experimental study characterizes the baking kinetics of traditional Lebanese flatbread, recording mass loss pre- and post-baking, thermal profiles, and dough expansion through real-time temperature measurements and video recordings, providing insights into the dough’s thermal response and expansion behavior under high-temperature conditions. A custom-designed instrumented oven with a steel conveyor and a direct flame burner was employed. The dough, prepared following a traditional recipe, was analyzed during the baking process using K-type thermocouples and visual monitoring. Results revealed that Lebanese bread undergoes significant water loss due to high baking temperatures (~650 °C), leading to rapid crust formation and pocket development. Empirical equations modeling the relationship between baking time, temperature, and expansion were developed with high predictive accuracy. Additionally, an energy analysis revealed that the total energy required to bake Lebanese bread is approximately 667 kJ/kg, with an overall thermal efficiency of only 21%, dropping to 16% when preheating is included. According to previous CFD (Computational Fluid Dynamics) simulations, most heat loss in similar tunnel ovens occurs via the chimney (50%) and oven walls (29%). These findings contribute to understanding the broader thermophysical principles that can be applied to the development of more efficient baking processes for various types of bread. The empirical models developed in this study can be applied to automating and refining the industrial production of Lebanese flatbread, ensuring consistent product quality across different baking environments. Future studies will extend this work to alternative oven designs and dough formulations. Full article
(This article belongs to the Special Issue Chemical and Physical Properties in Food Processing: Second Edition)
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27 pages, 1081 KiB  
Article
Effect of Monomer Mixture Composition on TiCl4-Al(i-C4H9)3 Catalytic System Activity in Butadiene–Isoprene Copolymerization: A Theoretical Study
by Konstantin A. Tereshchenko, Rustem T. Ismagilov, Nikolai V. Ulitin, Yana L. Lyulinskaya and Alexander S. Novikov
Computation 2025, 13(8), 184; https://doi.org/10.3390/computation13080184 - 1 Aug 2025
Viewed by 85
Abstract
Divinylisoprene rubber, a copolymer of butadiene and isoprene, is used as raw material for rubber technical products, combining isoprene rubber’s elasticity and butadiene rubber’s wear resistance. These properties depend quantitatively on the copolymer composition, which depends on the kinetics of its synthesis. This [...] Read more.
Divinylisoprene rubber, a copolymer of butadiene and isoprene, is used as raw material for rubber technical products, combining isoprene rubber’s elasticity and butadiene rubber’s wear resistance. These properties depend quantitatively on the copolymer composition, which depends on the kinetics of its synthesis. This work aims to theoretically describe how the monomer mixture composition in the butadiene–isoprene copolymerization affects the activity of the TiCl4-Al(i-C4H9)3 catalytic system (expressed by active sites concentration) via kinetic modeling. This enables development of a reliable kinetic model for divinylisoprene rubber synthesis, predicting reaction rate, molecular weight, and composition, applicable to reactor design and process intensification. Active sites concentrations were calculated from experimental copolymerization rates and known chain propagation constants for various monomer compositions. Kinetic equations for active sites formation were based on mass-action law and Langmuir monomolecular adsorption theory. An analytical equation relating active sites concentration to monomer composition was derived, analyzed, and optimized with experimental data. The results show that monomer composition’s influence on active sites concentration is well described by a two-step kinetic model (physical adsorption followed by Ti–C bond formation), accounting for competitive adsorption: isoprene adsorbs more readily, while butadiene forms more stable active sites. Full article
(This article belongs to the Special Issue Feature Papers in Computational Chemistry)
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14 pages, 3378 KiB  
Article
The pcGR Within the Hořava-Lifshitz Gravity and the Wheeler-deWitt Quantization
by Peter O. Hess, César A. Zen Vasconcellos and Dimiter Hadjimichef
Galaxies 2025, 13(4), 85; https://doi.org/10.3390/galaxies13040085 (registering DOI) - 1 Aug 2025
Viewed by 156
Abstract
We investigate pseudo-complex General Relativity (pcGR)—a coordinate-extended formulation of General Relativity (GR)—within the framework of Hořava-Lifshitz gravity, a regularized theory featuring anisotropic scaling. The pcGR framework bridges GR with modified gravitational theories through the introduction of a minimal length scale. Focusing on Schwarzschild [...] Read more.
We investigate pseudo-complex General Relativity (pcGR)—a coordinate-extended formulation of General Relativity (GR)—within the framework of Hořava-Lifshitz gravity, a regularized theory featuring anisotropic scaling. The pcGR framework bridges GR with modified gravitational theories through the introduction of a minimal length scale. Focusing on Schwarzschild black holes, we derive the Wheeler-deWitt equation, obtaining a quantized description of pcGR. Using perturbative methods and semi-classical approximations, we analyze the solutions of the equations and their physical implications. A key finding is the avoidance of the central singularity due to nonlinear interaction terms in the Hořava-Lifshitz action. Notably, extrinsic curvature (kinetic energy) contributions prove essential for singularity resolution, even in standard GR. Furthermore, the theory offers new perspectives on dark energy, proposing an alternative mechanism for its accumulation. Full article
(This article belongs to the Special Issue Cosmology and the Quantum Vacuum—2nd Edition)
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12 pages, 2519 KiB  
Article
Mathematical Formulation of Causal Propagation in Relativistic Ideal Fluids
by Dominique Brun-Battistini, Alfredo Sandoval-Villalbazo and Hernando Efrain Caicedo-Ortiz
Axioms 2025, 14(8), 598; https://doi.org/10.3390/axioms14080598 - 1 Aug 2025
Viewed by 166
Abstract
We establish a rigorous kinetic-theoretical framework to analyze causal propagation in thermal transport phenomena within relativistic ideal fluids, building a more rigorous framework based on the kinetic theory of gases. Specifically, we provide a refined derivation of the wave equation governing thermal and [...] Read more.
We establish a rigorous kinetic-theoretical framework to analyze causal propagation in thermal transport phenomena within relativistic ideal fluids, building a more rigorous framework based on the kinetic theory of gases. Specifically, we provide a refined derivation of the wave equation governing thermal and density fluctuations, clarifying its hyperbolic nature and the associated characteristic propagation speeds. The analysis confirms that thermal fluctuations in a simple non-degenerate relativistic fluid satisfy a causal wave equation in the Euler regime, and it recovers the classical expression for the speed of sound in the non-relativistic limit. This work offers enhanced mathematical and physical insights, reinforcing the validity of the hyperbolic description and suggesting a foundation for future studies in dissipative relativistic hydrodynamics. Full article
(This article belongs to the Section Mathematical Physics)
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25 pages, 3362 KiB  
Article
The Double Laplace–Adomian Method for Solving Certain Nonlinear Problems in Applied Mathematics
by Oswaldo González-Gaxiola
AppliedMath 2025, 5(3), 98; https://doi.org/10.3390/appliedmath5030098 (registering DOI) - 1 Aug 2025
Viewed by 76
Abstract
The objective of this investigation is to obtain numerical solutions for a variety of mathematical models in a wide range of disciplines, such as chemical kinetics, neurosciences, nonlinear optics, metallurgical separation/alloying processes, and asset dynamics in mathematical finance. This research features numerical simulations [...] Read more.
The objective of this investigation is to obtain numerical solutions for a variety of mathematical models in a wide range of disciplines, such as chemical kinetics, neurosciences, nonlinear optics, metallurgical separation/alloying processes, and asset dynamics in mathematical finance. This research features numerical simulations conducted with a remarkably low error measure, providing a visual representation of the examined models in these areas. The proposed method is the double Laplace–Adomian decomposition method, which facilitates the numerical acquisition and analysis of solutions. This paper presents the first report of numerical simulations employing this innovative methodology to address these problems. The findings are expected to benefit the natural sciences, mathematical modeling, and their practical applications, representing the innovative aspect of this article. Additionally, this method can analyze many classes of partial differential equations, whether linear or nonlinear, without the need for linearization or discretization. Full article
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25 pages, 4184 KiB  
Article
Effects of Partial Freezing and Superchilling Storage on the Quality of Beef: A Kinetic Modelling Approach
by Anjelina William Mwakosya, Graciela Alvarez and Fatou Toutie Ndoye
Foods 2025, 14(15), 2687; https://doi.org/10.3390/foods14152687 - 30 Jul 2025
Viewed by 198
Abstract
The current study explores the changes in beef quality following partial freezing and during superchilled storage, alongside chilled storage comparisons. Kinetic models were developed to predict changes in colour difference (∆E), thiobarbituric acid−reactive substances (TBARS), total volatile basic nitrogen (TVB−N), drip loss and [...] Read more.
The current study explores the changes in beef quality following partial freezing and during superchilled storage, alongside chilled storage comparisons. Kinetic models were developed to predict changes in colour difference (∆E), thiobarbituric acid−reactive substances (TBARS), total volatile basic nitrogen (TVB−N), drip loss and firmness. Beef samples were partially frozen in an air blast freezer at −30 °C for 9 min prior to storage at −5 °C, −4 °C, −2.8 °C, −1.8 °C. Chilled beef samples were directly stored at 2 °C and 6 °C without partial freezing. All samples were stored for 21 days. The lightness (L*), redness (a*), yellowness (b*) and colour difference (∆E) were significantly lower in superchilled storage samples compared to chilled storage samples. The pH of beef samples increased gradually over time (p < 0.05). TBARS, TVB−N and drip loss increased while firmness decreased with the increase in storage time in both storage conditions (p < 0.05). Overall, beef quality was affected by both storage duration and temperature. Firmness followed the first order kinetic model; drip loss, TVB−N, TBARS and colour difference (∆E) fitted the zero−order kinetic model. Temperature dependence was adequately modelled using Arrhenius−type equation with the activation energy values of 110.111, 52.870, 68.553, 119.480, 47.301 kJ/mol for drip loss, firmness, TBARS, TVB−N and colour difference (∆E), respectively. The models demonstrated strong predictive performance, with RMSE and MAPE values within ±10%. The developed kinetic models successfully predicted quality changes within the −5 °C to 6 °C temperature range. Full article
(This article belongs to the Section Food Engineering and Technology)
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20 pages, 4676 KiB  
Article
Adsorption of Pb2+ and Cd2+ from Aqueous Solutions by Porous Carbon Foam Derived from Biomass Phenolic Resin
by Jianwei Ling, Yu Gao, Ruiling Wang, Shiyu Lu, Xuemei Li, Shouqing Liu and Jianxiang Liu
Int. J. Mol. Sci. 2025, 26(15), 7302; https://doi.org/10.3390/ijms26157302 - 28 Jul 2025
Viewed by 208
Abstract
Due to its lightweight and superior adsorption properties, carbon foam is frequently employed for the removal of heavy metal pollutants from aqueous solutions. In this study, a novel modified carbon foam (M-CF) was successfully synthesized for the effective removal of Pb2+ and [...] Read more.
Due to its lightweight and superior adsorption properties, carbon foam is frequently employed for the removal of heavy metal pollutants from aqueous solutions. In this study, a novel modified carbon foam (M-CF) was successfully synthesized for the effective removal of Pb2+ and Cd2+ from water. The synthesis involved partially substituting phenol with the liquefaction product of bamboo powder, followed by modification with a silane coupling agent (KH560) and foaming with n-hexane-loaded activated carbon (H/AC). The prepared carbon foam was comprehensively characterized, and its adsorption performance and mechanism for Pb2+ and Cd2+ in aqueous solution were investigated. The results showed that M-CF possessed a uniform and well-developed spherical pore structure and demonstrated excellent removal capacity for Cd2+ and Pb2+. The adsorption process conformed to the Sips isotherm model and the pseudo-second-order kinetic equation, with maximum adsorption capacities of 22.15 mg·g−1 and 61.59 mg·g−1 for Cd2+ and Pb2+, respectively. Mechanistic analysis revealed that the removal of Cd2+ and Pb2+ was a result of the synergistic effect of physisorption and chemisorption, accompanied by complexation. Furthermore, precipitates formed during the adsorption process were found to be mainly composed of hydroxides, carbonates, and PbS. This research demonstrates the efficacy of carbon foam prepared from bamboo powder waste as a partial phenol substitute for the efficient removal of Pb2+ and Cd2+ from water, thus expanding the preparation pathways for novel heavy metal adsorption materials. Full article
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19 pages, 3224 KiB  
Article
Supramolecular Co-Assembled Fmoc-FRGDF/Hyaluronic Acid Hydrogel for Quercetin Delivery: Multifunctional Bioactive Platform
by Xian-Ni Su, Yu-Yang Wang, Muhammed Fahad Khan, Li-Na Zhu, Zhong-Liang Chen, Zhuo Wang, Bing-Bing Song, Qiao-Li Zhao, Sai-Yi Zhong and Rui Li
Foods 2025, 14(15), 2629; https://doi.org/10.3390/foods14152629 - 26 Jul 2025
Viewed by 361
Abstract
Background: During food processing and storage, traditional protein-based delivery systems encounter significant challenges in maintaining the structural and functional integrity of bioactive compounds, primarily due to their temporal instability. Methods: In this study, a nanocomposite hydrogel was prepared through the co-assembly of a [...] Read more.
Background: During food processing and storage, traditional protein-based delivery systems encounter significant challenges in maintaining the structural and functional integrity of bioactive compounds, primarily due to their temporal instability. Methods: In this study, a nanocomposite hydrogel was prepared through the co-assembly of a self-assembling peptide, 9-Fluorenylmethoxycarbonyl-phenylalanine-arginine-glycine-aspartic acid-phenylalanine (Fmoc-FRGDF), and hyaluronic acid (HA). The stability of this hydrogel as a quercetin (Que) delivery carrier was systematically investigated. Furthermore, the impact of Que co-assembly on the microstructural evolution and physicochemical properties of the hydrogel was characterized. Concurrently, the encapsulation efficiency (EE%) and controlled release kinetics of Que were quantitatively evaluated. Results: The findings indicated that HA significantly reduced the storage modulus (G′) from 256.5 Pa for Fmoc-FRGDF to 21.1 Pa with the addition of 0.1 mg/mL HA. Despite this reduction, HA effectively slowed degradation rates; specifically, residue rates of 5.5% were observed for Fmoc-FRGDF alone compared to 14.1% with 0.5 mg/mL HA present. Notably, Que enhanced G′ within the ternary complex, increasing it from 256.5 Pa in Fmoc-FRGDF to an impressive 7527.0 Pa in the Que/HA/Fmoc-FRGDF hydrogel containing 0.1 mg/mL HA. The interactions among Que, HA, and Fmoc-FRGDF involved hydrogen bonding, electrostatic forces, and hydrophobic interactions; furthermore, the co-assembly process strengthened the β-sheet structure while significantly promoting supramolecular ordering. Interestingly, the release profile of Que adhered to the Korsmeyer–Peppas pharmacokinetic equations. Conclusions: Overall, this study examines the impact of polyphenol on the rheological properties, microstructural features, secondary structure conformation, and supramolecular ordering within peptide–polysaccharide–polyphenol ternary complexes, and the Fmoc-FRGDF/HA hydrogel system demonstrates a superior performance as a delivery vehicle for maintaining quercetin’s bioactivity, thereby establishing a multifunctional platform for bioactive agent encapsulation and controlled release. Full article
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17 pages, 1701 KiB  
Article
Novel Synbiotic Yogurt Formulation Supplemented with Fucoidan from Phaeophyceae Algae to Promote Limosilactobacillus reuteri and Lacticaseibacillus rhamnosus GG
by Neus Ricós-Muñoz, Sergi Maicas, Miguel Tortajada-Girbés and Maria Consuelo Pina-Pérez
Foods 2025, 14(15), 2589; https://doi.org/10.3390/foods14152589 - 24 Jul 2025
Viewed by 338
Abstract
Allergy is recognized as a public health problem with pandemic consequences and is estimated to affect more than 50% of Europeans in 2025. Prebiotic and probiotic food implementation has recently emerged as an alternative strategy to promote immunomodulatory beneficial effects in allergic patients. [...] Read more.
Allergy is recognized as a public health problem with pandemic consequences and is estimated to affect more than 50% of Europeans in 2025. Prebiotic and probiotic food implementation has recently emerged as an alternative strategy to promote immunomodulatory beneficial effects in allergic patients. Among prebiotics, Phaeophyceae algae represent a niche of research with enormous possibilities. The present study aims to evaluate the in vitro prebiotic potential of fucoidan from Fucus vesiculosus, Macrocystis pyrifera, and Undaria pinnatifida algae, to promote the growth of Limosilactobacillus reuteri and Lacticaseibacillus rhamnosus GG as probiotic bacteria added to the formulation of a novel yogurt. Concentrations of fucoidan of 100 and 2000 µg/mL were added to reference growth media and kinetic growth curves for both microorganisms were fitted to the Gompertz equation. Optimized prebiotic conditions for fucoidan were selected to validate in vitro results by means of the formulation of a novel fermented prebiotic yogurt. Conventional yogurts (including Streptococcus thermophilus and Lactobacillus delbrueckii subs. bulgaricus) were formulated with the different fucoidans, and production batches were prepared for L. rhamnosus and L. reuteri. Increased L. reuteri and L. rhamnosus populations in 1.7–2.2 log10 cycles just after 48 h of in vitro exposure were detected in fucoidan supplemented yogurt. M. pyrifera and U. pinnatifida fucoidans were the most effective ones (500 µg/mL) promoting probiotic growth in new formulated yogurts (during the complete shelf life of products, 28 days). Diet supplementation with fucoidan can be proposed as a strategy to modulate beneficial microbiota against allergy. Full article
(This article belongs to the Section Dairy)
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29 pages, 4982 KiB  
Article
Comprehensive Investigation of Polymorphic Stability and Phase Transformation Kinetics in Tegoprazan
by Joo Ho Lee, Ki Hyun Kim, Se Ah Ryu, Jason Kim, Kiwon Jung, Ki Sung Kang and Tokutaro Yamaguchi
Pharmaceutics 2025, 17(7), 928; https://doi.org/10.3390/pharmaceutics17070928 - 18 Jul 2025
Viewed by 453
Abstract
Background/Objectives: Tegoprazan (TPZ) is a potassium-competitive acid blocker (P-CAB) used to treat conditions such as gastroesophageal reflux disease, peptic ulcer, and Helicobacter pylori infection. It exists in three solid forms: amorphous, Polymorph A, and Polymorph B. This study investigates the molecular basis of [...] Read more.
Background/Objectives: Tegoprazan (TPZ) is a potassium-competitive acid blocker (P-CAB) used to treat conditions such as gastroesophageal reflux disease, peptic ulcer, and Helicobacter pylori infection. It exists in three solid forms: amorphous, Polymorph A, and Polymorph B. This study investigates the molecular basis of polymorph selection, focusing on conformational bias and solvent-mediated phase transformations (SMPTs). Methods: The conformational energy landscapes of two TPZ tautomers were constructed using relaxed torsion scans with the OPLS4 force field and validated by nuclear Overhauser effect (NOE)-based nuclear magnetic resonance (NMR). Hydrogen-bonded dimers were analyzed using DFT-D. Powder X-ray diffraction (PXRD), differential scanning calorimetry (DSC), solubility, and slurry tests were conducted using methanol, acetone, and water. Kinetic profiles were modeled with the Kolmogorov–Johnson–Mehl–Avrami (KJMA) equation. Results: Polymorph A was thermodynamically stable across all analyses. Both amorphous TPZ and Polymorph B converted to A in a solvent-dependent manner. Methanol induced direct A formation, while acetone showed a B → A transition. Crystallization was guided by solution conformers and hydrogen bonding. Conclusions: TPZ polymorph selection is governed by solution-phase conformational preferences, tautomerism, and solvent-mediated hydrogen bonding. DFT-D and NMR analyses showed that protic solvents favor the direct crystallization of stable Polymorph A, while aprotic solvents promote the transient formation of metastable Polymorph B. Elevated temperatures and humidity accelerate polymorphic transitions. This crystal structure prediction (CSP)-independent strategy offers a practical framework for rational polymorph control and the mitigation of disappearing polymorph risks in tautomeric drugs. Full article
(This article belongs to the Special Issue Drug Polymorphism and Dosage Form Design, 2nd Edition)
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15 pages, 2165 KiB  
Article
Study on the High-Temperature Reaction Kinetics of Solid Waste-Based High Belite Sulphoaluminate Cement Containing Residual Gypsum in Clinker
by Dunlei Su, Mingxin Yang, Yani Hao, Jiahui Wang, Xin Liu, Haojian Tang, Fengyuan Dong, Dejin Xing and Weiyi Kong
Materials 2025, 18(14), 3369; https://doi.org/10.3390/ma18143369 - 17 Jul 2025
Viewed by 343
Abstract
In order to elucidate the high-temperature reaction process of solid waste-based high belite sulphoaluminate cement containing residual gypsum in clinker (NHBSAC) and obtain the formation laws of each mineral in clinker, this article studied its high-temperature reaction kinetics. Through QXRD analysis and numerical [...] Read more.
In order to elucidate the high-temperature reaction process of solid waste-based high belite sulphoaluminate cement containing residual gypsum in clinker (NHBSAC) and obtain the formation laws of each mineral in clinker, this article studied its high-temperature reaction kinetics. Through QXRD analysis and numerical fitting methods, the formation of C4A3S¯, β-C2S, and CaSO4 in clinker under different calcination systems was quantitatively characterized, the corresponding high-temperature reaction kinetics models were established, and the reaction activation energies of each mineral were obtained. The results indicate that the content of C4A3S¯ and β-C2S increases with the prolongation of holding time and the increase in calcination temperature, while CaSO4 is continuously consumed. Under the control mechanism of solid-state reaction, the formation and consumption of minerals follow the kinetic equation. C4A3S¯ and β-C2S satisfy the D4 equation under diffusion mechanism control, and CaSO4 satisfies the R3 equation under interface chemical reaction mechanism control. The activation energy required for mineral formation varies with different temperature ranges. The activation energies required to form C4A3S¯ at 1200–1225 °C, 1225–1275 °C, and 1275–1300 °C are 166.28 kJ/mol, 83.14 kJ/mol, and 36.58 kJ/mol, respectively. The activation energies required to form β-C2S at 1200–1225 °C and 1225–1300 °C are 374.13 kJ/mol and 66.51 kJ/mol, respectively. This study is beneficial for achieving flexible control of the mineral composition of NHBSAC clinker, providing a theoretical basis and practical experience for the preparation of low-carbon cement and the optimization design of its mineral composition. Full article
(This article belongs to the Special Issue Characterization and Optimization of Cement-Based Materials)
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17 pages, 410 KiB  
Article
Theoretical Analysis of the Factors Determining the Crystal Size Distribution (CSD) During Crystallization in Solution: Rates of Crystal Growth
by Christo N. Nanev
Crystals 2025, 15(7), 653; https://doi.org/10.3390/cryst15070653 - 17 Jul 2025
Viewed by 298
Abstract
Crystalline products with a narrow and uniform distribution of crystals by size (CSD), characterized by a desired average size, are necessary in many practices. Therefore, extensive, but mostly experimental, research is devoted to the problem of obtaining such CSDs. Alternatively, this manuscript presents [...] Read more.
Crystalline products with a narrow and uniform distribution of crystals by size (CSD), characterized by a desired average size, are necessary in many practices. Therefore, extensive, but mostly experimental, research is devoted to the problem of obtaining such CSDs. Alternatively, this manuscript presents a theoretical approach for calculating CSD resulting from crystallization in unstirred solutions. First, classical equations for the rates of diffusion-controlled and kinetically controlled growth of crystals are used to discuss the size-dependent growth of the nucleated crystals and the initial CSD (which arises from the non-simultaneous nucleation of crystals). Then, applying the law of conservation of matter, it is proved that the CSD continues to expand during the growth stage. Furthermore, it is substantiated that, due to their uneven spatial distribution, crystals of the same size can grow at different rates. This depends on whether the crystals are outside the diffusion fields of other crystals or are clustered together in “nests”. Moreover, by calculating the growth rates of crystals in “nests”, an explanation is given for the observation that closely spaced crystals are smaller in size than the separately growing crystals. Finally, the CSD established during the Ostwald ripening is discussed quantitatively, step-by-step. Full article
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19 pages, 3699 KiB  
Article
Development of Poly(diallyldimethylammonium) Chloride-Modified Activated Carbon for Efficient Adsorption of Methyl Red in Aqueous Systems
by Simeng Li and Madjid Mohseni
Clean Technol. 2025, 7(3), 61; https://doi.org/10.3390/cleantechnol7030061 - 15 Jul 2025
Viewed by 332
Abstract
A modified activated carbon (AC) was developed by modifying with poly(diallyldimethylammonium) chloride (PDADMAC) to enhance its adsorption performance for water treatment applications. Different PDADMAC concentrations were explored and evaluated using methyl red as a model contaminant, with 8 w/v% PDADMAC [...] Read more.
A modified activated carbon (AC) was developed by modifying with poly(diallyldimethylammonium) chloride (PDADMAC) to enhance its adsorption performance for water treatment applications. Different PDADMAC concentrations were explored and evaluated using methyl red as a model contaminant, with 8 w/v% PDADMAC yielding the best adsorption performance. The kinetics data were well described by the pseudo-first-order equation and homogeneous surface diffusion model. The Freundlich isotherm fit the equilibrium data well, indicating multilayer adsorption and diverse interaction types. The removal efficiency remained similar across a pH range of 5–9 and in the presence of background inorganic (NaCl)/organic compounds (sodium acetate) at different concentrations. Rapid small-scale column tests were performed to simulate continuous flow conditions, and the PDADMAC-modified AC effectively delayed the breakthrough of the contaminant compared to raw AC. Regeneration experiments showed that 0.1 M NaOH with 70% methanol effectively restored the adsorption capacity, retaining 80% of the initial efficiency after five cycles. Quantum chemical analysis revealed that non-covalent interactions, including electrostatic and Van der Waals forces, governed the adsorption mechanism. Overall, the results of this study prove that PDADMAC-AC shows great potential for enhanced organic contaminant removal in water treatment systems. Full article
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33 pages, 19356 KiB  
Article
Hoffman–Lauritzen Analysis of Crystallization of Hydrolyzed Poly(Butylene Succinate-Co-Adipate)
by Anna Svarcova and Petr Svoboda
Crystals 2025, 15(7), 645; https://doi.org/10.3390/cryst15070645 - 14 Jul 2025
Viewed by 344
Abstract
This study systematically investigates the impact of hydrolytic degradation on the crystallization kinetics and morphology of poly(butylene succinate-co-adipate) (PBSA). Gel Permeation Chromatography (GPC) confirmed extensive chain scission, significantly reducing the polymer’s weight-average molecular weight (Mw from ~103,000 to ~16,000 g/mol) and broadening [...] Read more.
This study systematically investigates the impact of hydrolytic degradation on the crystallization kinetics and morphology of poly(butylene succinate-co-adipate) (PBSA). Gel Permeation Chromatography (GPC) confirmed extensive chain scission, significantly reducing the polymer’s weight-average molecular weight (Mw from ~103,000 to ~16,000 g/mol) and broadening its polydispersity index (PDI from ~2 to 7 after 64 days). Differential scanning calorimetry (DSC) analysis revealed that hydrolytic degradation dramatically accelerated crystallization rates, reducing crystallization time roughly 10-fold (e.g., from ~3000 s to ~300 s), and crystallinity increased from 34% to 63%. Multiple melting peaks suggested the presence of lamellae with varying thicknesses, consistent with the Gibbs–Thomson equation. Isothermal crystallization kinetics were evaluated using the Avrami equation (with n ≈ 3), reciprocal half-time of crystallization, and a novel inflection point slope method, all confirming accelerated crystallization; for instance, the slope increased from 0.00517 to 0.05203. Polarized optical microscopy (POM) revealed evolving spherulite morphologies, including hexagonal and flower-like dendritic spherulites with diamond-shape ends, while wide-angle X-ray diffraction (WAXD) showed a crystallization range shift to higher temperatures (e.g., from 72–61 °C to 82–71 °C) and a 14% increase in crystallite diameter, aligning with increased melting point and lamellar thickness and overall increased crystallinity. Full article
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26 pages, 9003 KiB  
Article
A Pilot-Scale Gasifier Freeboard Equipped with Catalytic Filter Candles for Particulate Abatement and Tar Conversion: 3D-CFD Simulations and Experimental Tests
by Alessandra Tacconi, Pier Ugo Foscolo, Sergio Rapagnà, Andrea Di Carlo and Alessandro Antonio Papa
Processes 2025, 13(7), 2233; https://doi.org/10.3390/pr13072233 - 12 Jul 2025
Viewed by 447
Abstract
This work deals with the catalytic steam reforming of raw syngas to increase the efficiency of coupling gasification with downstream processes (such as fuel cells and catalytic chemical syntheses) by producing high-temperature, ready-to-use syngas without cooling it for cleaning and conditioning. Such a [...] Read more.
This work deals with the catalytic steam reforming of raw syngas to increase the efficiency of coupling gasification with downstream processes (such as fuel cells and catalytic chemical syntheses) by producing high-temperature, ready-to-use syngas without cooling it for cleaning and conditioning. Such a combination is considered a key point for the future exploitation of syngas produced by steam gasification of biogenic solid fuel. The design and construction of an integrated gasification and gas conditioning system were proposed approximately 20 years ago; however, they still require further in-depth study for practical applications. A 3D model of the freeboard of a pilot-scale, fluidized bed gasification plant equipped with catalytic ceramic candles was used to investigate the optimal operating conditions for in situ syngas upgrading. The global kinetic parameters for methane and tar reforming reactions were determined experimentally. A fluidized bed gasification reactor (~5 kWth) equipped with a 45 cm long segment of a fully commercial filter candle in its freeboard was used for a series of tests at different temperatures. Using a computational fluid dynamics (CFD) description, the relevant parameters for apparent kinetic equations were obtained in the frame of a first-order reaction model to describe the steam reforming of key tar species. As a further step, a CFD model of the freeboard of a 100 kWth gasification plant, equipped with six catalytic ceramic candles, was developed in ANSYS FLUENT®. The composition of the syngas input into the gasifier freeboard was obtained from experimental results based on the pilot-scale plant. Simulations showed tar catalytic conversions of 80% for toluene and 41% for naphthalene, still insufficient compared to the threshold limits required for operating solid oxide fuel cells (SOFCs). An overly low freeboard temperature level was identified as the bottleneck for enhancing gas catalytic conversions, so further simulations were performed by injecting an auxiliary stream of O2/steam (50/50 wt.%) through a series of nozzles at different heights. The best simulation results were obtained when the O2/steam stream was fed entirely at the bottom of the freeboard, achieving temperatures high enough to achieve a tar content below the safe operating conditions for SOFCs, with minimal loss of hydrogen content or LHV in the fuel gas. Full article
(This article belongs to the Section Chemical Processes and Systems)
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