Experimental Model For Study Research Articles

An experimental and kinetic modeling study on the oxidation of 1,3-dioxolane

The modern catalytic or enzymatic advances allow the production of novel biofuel. Among them, 1,3-dioxolane can be produced from formaldehyde and ethylene glycol, both can be obtained from biomass. In this study, the oxidation of 1,3-dioxolane is studied at stoichiometric conditions. The ignition delay times of 1,3-dioxolane/O2/inert mixtures were measured in a shock tube and in a rapid compression machine at pressures of 20 to 40 bar and temperatures ranging from 630 to 1300 K. The pressure profiles recorded in the rapid compression machine show a first stage of ignition enlightening the influence of the low temperature chemistry of combustion. Furthermore, mole fraction profiles of the stable intermediates produced during the oxidation of 1,3-dioxolane were measured in a jet-stirred reactor at 10 bar. Following these observations, a detailed kinetic model was developed with reaction rate coefficients and thermochemical data calculated by theoretical calculations or estimated by analogies to suitable molecules. In order to get an insight into the most important reaction pathways brute force sensitivity analysis and reaction pathway analysis were performed with the proposed model and discussed. It became clear that in the fuel-in-air case for the alkylhydroperoxide of 1,3-dioxolane the ring opening beta-scission pathway is favored against the further alkane-like second addition to molecular oxygen, which leads to a limited negative temperature coefficient.

Working capacity of direct models of reinforced concrete structures with longitudinal corrosion cracks when exposed to centered and off-center compressive loads

Based on the results of experimental studies of direct models of transport reinforced concrete structures with corrosion longitudinal cracks, the obtained functional dependences of changing their structural behaviors and deformations when exposed of central and off-center compressive load are presented.

Fabrication of a novel hydrophobic anti-corrosion film based on Eu2O3/stearic acid on steel surface; Experimental and detailed computer modeling studies

Metal's corrosion is an important parameter affecting the steel lifetime. Nowadays, because of the widespread industrial applications of mild steel, the corrosion protection of this material has become a challenging item. The modification of the metal surface (i.e., mild steel, MS) via thin hydrophobic layers is one of the most efficient/promising protocols for the improvement of the metal's anti-corrosion properties.In this work, the MS sample surface was treated by a novel thin-film based on the europium (Eu) oxide. Using stearic acid (STA) and palmitic acid (PAA) molecules, a hydrophobic layer was constructed on the Eu-treated sample. The EDS and GIXRD tests were utilized for the analysis of the elemental/phase compositions of the treated and untreated samples. The FE-SEM and AFM tests were used for studying the surface morphology and topography of the treated and untreated samples. The corrosion protection durability of the coated metals was checked via electrochemical approaches, i.e., EIS and potentiodynamic polarization. The EDS/Mapping analysis demonstrated that the europium conversion coating (EuCC) was successfully deposited on the MS surface. Besides, a high concentration of the Eu-containing compounds in the GIXRD patterns proved the sufficient Eu-based conversion coating formation on the sample. The contact angle (CA) measurements displayed that after surface modification with the hydrophobic layer, the CA was drastically improved by about 40%. The FE-SEM micrographs ensured the precipitation of a uniform protective layer without obvious cracks on the MS surface. The Tafel curves illustrated that the EuCC-STA could diminish the steel corrosion by mixed anodic and cathodic inhibition mechanisms. The EIS reports evidence that the existence of the EuCC-STA hydrophobic film could diminish about 66% of corrosion activities during 24 h of iron exposure to the harsh 3.5% chloride media.

The behaviour of thermoplastic and thermoset carbon fibre composites subjected to low-velocity and high-velocity impact

The present paper describes the results from experimental and theoretical modelling studies on the behaviour of continuous carbon fibre/polymer matrix composites subjected to a relatively low-velocity or high-velocity impact, using a rigid, metallic impactor. Drop-weight and gas-gun tests are employed to conduct the low-velocity and high-velocity impact experiments, respectively. The carbon fibre composites are based upon a thermoplastic poly(ether–ether ketone) matrix (termed CF/PEEK) or a thermoset toughened epoxy matrix (termed CF/Epoxy), which has the same fibre architecture of a cross-ply [03/903]2s lay-up. The studies clearly reveal that the CF/PEEK composites exhibit the better impact performance. Also, at the same impact energy of 10.5 ± 0.3 J, the relatively high-velocity test at 54.4 ± 1.0 m s−1 leads to more damage in both types of composite than observed from the low-velocity test where the impactor struck the composites at 2.56 m s−1. The computationally efficient, two-dimensional, elastic, finite element model that has been developed is generally successful in capturing the essential details of the impact test and the impact damage in the composites, and has been used to predict the loading response of the composites under impact loading.

Encompassment of phthalyl sulfacetamide in α- and β-cyclodextrin using ultrasonication: Physicochemical and computational modeling investigations

Phthalyl sulfacetamide (PSA) is an antibiotic sulfonamide. In this study, inclusion complexes (ICs) of α- (αCD) and β-cyclodextrin (βCD) were prepared in aqueous solution and in solid state with PSA using the ultrasonication (US) process. The structural and thermal characteristics of the US-assisted ICs were investigated by UV–Vis absorption, fluorescence, Fourier transform infrared (FT-IR) spectroscopy, proton nuclear magnetic resonance (1H NMR) spectroscopy, differential scanning calorimetry (DSC), powder X-ray diffraction (PXRD) and computational modeling techniques. The improved dissolution of PSA in the presence of CD was confirmed by UV–Vis absorption. The experimental and computational modeling studies proved that the stoichiometry of the ICs was 1:1 for PSA/CD-ICs. It was also observed that the IC formation between βCD and PSA was the strongest when compared to αCD host. The enhanced thermal stability of PSA was achieved for PSA/CD-ICs when compared to pure form of PSA. FT-IR, 1H NMR and computational modeling studies indicated that biologically active sulfonamide group (ring-A) of PSA was encapsulated in the hydrophobic CD cavity. The stability of ICs in terms of energetic, thermodynamic and electronic properties was verified and the PSA/βCD-IC revealed higher stability compared to that of PSA/αCD-IC, as determined by PM3 method.

Experimental and kinetic modelling studies of flammability limits of partially dissociated NH3 and air mixtures

This paper presents a set of experimental and kinetic modelling studies of the flammability limits of partially dissociated NH3 in air at 295 K and 1 atm. The experiments were carried out using a Hartmann bomb apparatus. The kinetic modelling was performed using Ansys Chemkin-Pro with opposed-flow premixed flame model employing three detailed reaction mechanisms, namely, the Mathieu and Petersen, Otomo et al., and Okafor et al. mechanisms. The degree of NH3 dissociation was varied from 0 to 25% (0 to 20%v/v H2 in the fuel mixture with a fixed H2/N2 ratio of 3). It was found that the lower (LFL) and upper (UFL) flammability limits of pure NH3 in air were 15.0%v/v and 30.0%v/v, respectively, consistent with the literature data. The flammability limits of the mixture widened significantly with increasing the degree of NH3 dissociation. At 25% NH3 dissociation, LFL decreased to 10.1%v/v and UFL increased to 36.6%v/v. All tested mechanisms were able to predict the extinction characteristics exhibited by the lean and rich mixtures of partially dissociated NH3 in air with non-unity Lewis numbers. While all three mechanisms predict well LFL, the Otomo et al. mechanism showed the best agreement with the experimental data of UFL. The rate of production of radicals, sensitivity, and reaction path analyses were performed to identify the key elementary reactions and radicals during combustion of partially dissociated NH3. The production of key radicals including OH, H, O, and NH2 was enhanced in the presence of H2 and thus the conversion of NH to NO and then NO to N2 near LFL and the conversion of NH2 and NO to N2 near UFL leading to wider flammability limits.

Pace and stability of embryonic development affect telomere dynamics: an experimental study in a precocial bird model.

Prenatal effects on telomere length are increasingly recognized as a potential contributor to the developmental origin of health and adult disease. While it is becoming clear that telomere length is influenced by prenatal conditions, the factors affecting telomere dynamics during embryogenesis remain poorly understood. We manipulated both the pace and stability of embryonic development through varying incubation temperature and its stability in Japanese quail. We investigated the impact on telomere dynamics from embryogenesis to adulthood, together with three potential drivers of telomere shortening, growth rate, oxidative damage and prenatal glucocorticoid levels. Telomere length was not affected by our prenatal manipulation for the first 75% of embryogenesis, but was reduced at hatching in groups experiencing faster (i.e. high temperature) or less stable embryonic development. These early life differences in telomere length persisted until adulthood. The effect of developmental instability on telomere length at hatching was potentially mediated by an increased secretion of glucocorticoid hormones during development. Both the pace and the stability of embryo development appear to be key factors determining telomere length and dynamics into adulthood, with fast and less stable development leading to shorter telomeres, with the potential for adverse associated outcomes in terms of reduced longevity.

Experimental and kinetic modeling studies on the auto-ignition of methyl crotonate at high pressures and intermediate temperatures

Biofuels, including biodiesel have the potential to partially replace the conventional diesel fuels for low-temperature combustion engine applications to reduce the CO2 emission. Due to the long chain lengths and high molecular weights of the biodiesel components, it is quite challenging to study the biodiesel combustion experimentally and computationally. Methyl crotonate, a short unsaturated fatty acid methyl ester (FAME) is chosen for this chemical kinetic study as it is considered as a model biodiesel fuel. Auto-ignition experiments were performed in a rapid compression machine (RCM) at pressures of 20 and 40 bar under diluted conditions over a temperature range between 900 and 1074 K, and at different equivalence ratios (ϕ = 0.25, 0.5 and 1.0). A chemical kinetic mechanism is chosen from literature (Gaïl et al. 2008) and is modified to incorporate the low-temperature pathways. The mechanism is validated against existing shock tube data (Bennadji et al. 2009) and the present RCM data. The updated mechanism shows satisfactory agreement with the experimental data with significant improvements in low-temperature ignition behavior. The key reactions at various combustion conditions and the improved reactivity of the modified mechanism are analyzed by performing sensitivity and path flux analysis. This study depicts the importance of low-temperature pathways in predicting the ignition behavior of methyl crotonate at intermediate and low temperatures.

Hazards of the Cytokine Storm and Cytokine-Targeted Therapy in Patients With COVID-19: Review.

BackgroundSevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has challenged medicine and health care on a global scale. Its impact and frightening mortality rate are in large part attributable to the fact that there is a lack of available treatments. It has been shown that in patients who are severely ill, SARS-CoV-2 can lead to an inflammatory response known as cytokine storm, which involves activation and release of inflammatory cytokines in a positive feedback loop of pathogen-triggered inflammation. Currently, cytokine storm is one of the leading causes of morbidity and mortality in SARS-CoV-2, but there is no proven treatment to combat this systemic response.ObjectiveThe aim of this paper is to study the cytokine storm response in SARS-CoV-2 and to explore the early treatment options for patients who are critically ill with the coronavirus disease (COVID-19) in the early stages of the pandemic by reviewing the literature.MethodsA literature review was performed from December 1, 2000, to April 4, 2020, to explore and compare therapies that target cytokine storm among SARS-CoV-2 and prior coronavirus cases.ResultsA total of 38 eligible studies including 24 systematic reviews, 5 meta-analyses, 5 experimental model studies, 7 cohort studies, and 4 case reports matched the criteria.ConclusionsThe severity of the cytokine storm, measured by elevated levels of interleukin-1B, interferon-γ, interferon-inducible protein 10, and monocyte chemoattractant protein 1, was associated with COVID-19 disease severity. Many treatment options with different targets have been proposed during the early stages of the COVID-19 pandemic, ranging from targeting the virus itself to managing the systemic inflammation caused by the virus and the excessive cytokine response. Among the different agents to manage cytokine storm in patients with COVID-19, there is developing support for convalescent plasma therapy particularly for patients who are critically ill or mechanically ventilated and resistant to antivirals and supportive care. Treatment options that were proposed in the beginning phases of the pandemic were multidimensional, and further research is needed to develop a more established treatment guideline.

Experimental and kinetic modeling study of methyl heptanoate low-temperature oxidation in a jet-stirred reactor

Methyl heptanoate (MHP) is a potential surrogate component for fatty acid methyl esters found in biodiesel. The carbon chain length of MHP is long enough to enable low temperature (low-T) reactivity and negative temperature coefficient oxidation behavior during the combustion experiments, similar to the real biodiesel fuels. This paper investigated the low-T oxidation of MHP at 780 Torr and equivalence ratios of 0.5, 1.0 and 1.5 in a jet-stirred reactor. Detailed speciation profiles of fuel, intermediates and products were obtained using synchrotron vacuum ultraviolet photoionization mass spectrometry. A comprehensive kinetic model with 779 species and 3594 reactions was developed and validated against the new experimental data. Model analysis indicated that the dominant reaction pathways for MHP consumption were H-abstraction reactions by radicals of OH, HO2 to produce MHP radicals under all experimental conditions. In this low-T oxidation region, O2 addition reactions were responsible for the consumption of MHP radicals. The formation pathways of unsaturated methyl esters were strongly related to the decomposition of cyclic ethers. Furthermore, the formations of CH3OOH and C2H5OOH were closely linked to the reactions of CH3O2 and C2H5O2 as well as the radicals of CH2O and HO2. This work provides detailed information relevant to low-T biodiesel oxidation chemistry and guidance for the application of biodiesel in internal combustion engines.

Experimental and kinetic modeling study on sooting tendencies of alkylbenzene isomers

Alkylbenzenes are major aromatic constituents of real transportation fuels and important surrogate components. In this study, 4 kinds of C8H10 and 8 kinds of C9H12 alkylbenzenes were tested in a laminar diffusion flame to investigate the influence of chemical structure on sooting tendency. The laser induced incandescence (LII) technique was applied to obtain the 2D distribution of soot volume fraction for calculating the yield sooting index (YSI) of test fuels. The processes of fuel oxidation and soot formation were simulated by a detailed chemical kinetic mechanism. The mechanism includes all C8H10 and C9H12 alkylbenzenes and includes species ranging from reactant to carbon particle. The simulation results of defined YSI were in good agreement with the experimental values. A database of sooting tendencies was established by experimental data, which shows that the number of substituents is positively correlated with the sooting tendency and that the sooting tendency of meta-substituent species is higher than other isomers. Through the analysis of reaction pathway and sensitivity, it was found that the main production pathway of A4 (pyrene) is via alkylbenzenes combination reactions at the early stage of combustion. The experimental database presented in this study is systematic and comprehensive for C8H10 and C9H12 alkylbenzenes, and is thus expected to be useful for soot model development and validation.

Experimental and kinetic modeling study of the oxidation of cyclopentane and methylcyclopentane at atmospheric pressure

AbstractCyclopentane and methylcyclopentane oxidation was investigated in a jet‐stirred reactor at atmospheric pressure, over temperatures ranging from 900 to 1250 K, for fuel‐lean, stoichiometric, and fuel‐rich mixtures at a constant residence time of 70 ms. The initial mole fraction of both fuels was kept constant at 1000 ppm. The reactants were highly diluted by a flow of nitrogen to ensure thermal homogeneity. Samples of the reacting mixture were analyzed online and off‐line by Fourier transform infrared spectroscopy and gas chromatography. A detailed kinetic mechanism consisting of 590 species involved in 3469 reactions was developed, and simulation results were compared to these new experimental data and previously reported ignition delays. Reaction pathways analysis as well as sensitivity analyses were performed to get insights into the differences observed during the oxidation process of cyclopentane and methylcyclopentane.

Cells of origin of lung cancers: lessons from mouse studies.

As one of the most common forms of cancer, lung cancers present as a collection of different histological subtypes. These subtypes are characterized by distinct sets of driver mutations and phenotypic appearance, and they often show varying degrees of heterogenicity, aggressiveness, and response/resistance to therapy. Intriguingly, lung cancers are also capable of showing features of multiple subtypes or converting from one subtype to another. The intertumoral and intratumoral heterogeneity of lung cancers as well as incidences of subtype transdifferentiation raise the question of to what extent the tumor characteristics are dictated by the cell of origin rather than the acquired driver lesions. We provide here an overview of the studies in experimental mouse models that try to address this question. These studies convincingly show that both the cell of origin and the genetic driver lesions play a critical role in shaping the phenotypes of lung tumors. However, they also illustrate that there is far from a direct one-to-one relationship between the cell of origin and the cancer subtype, as most epithelial cells can be reprogrammed toward diverse lung cancer fates when exposed to the appropriate set of driver mutations.

β-cyclodextrin inclusion complexes with vitamin A and its esters: A comparative experimental and molecular modeling study

Cyclodextrin (CD) complexation has emerged as a promising approach for enhancing the solubility or/and stability of hydrophobic small molecule substances. Here the inclusion complexes of Vitamin A (VA), Vitamin A acetate (VAA), and Vitamin A palmitate (VAP) with β-cyclodextrin (β-CD) were prepared by co-precipitation with freeze-drying methods. Results from FT-IR, NMR, and SEM confirmed the formation of inclusion complexes. Phase solubility diagrams showed a molecular ratio of 2:1, 1:1, and 1:1 for β-CD complexes with VA, VAA, and VAP, respectively. Among these vitamins tested, free VA has the lowest thermal stability, but it was the highest after embedding with β-CD. β-CD:VA also showed a better water solubility. Although VAP achieved the highest increase rate in water solubility among the three vitamins after embedding with β-CD, water solubility of β-CD:VAP was still relatively small due to the poor water solubility of free VAP in nature. The obtained results revealed that β-CD complexation is more suitable for vitamin A than the other two vitamin A esters in promoting thermal stability and water solubility.On the basis of these experimental studies, we furthermore performed molecular docking simulations to predict possible binding mode and binding affinities of three vitamins with β-CD. Gibbs free energy changes (ΔG°) of β-CD:VA with 2:1 molecular ratio was lowest, which explained the enhanced thermal stability of VA by β-CD encapsulation. This work is useful for enlarged applications of β-CD inclusion complexes with vitamin A and its esters.

Amplification of Salt-Sensitive Hypertension and Kidney Damage by Immune Mechanisms.

Humans with salt-sensitive (SS) hypertension demonstrate increased morbidity, increased mortality, and renal end-organ damage when compared with normotensive subjects or those with salt-resistant hypertension. Increasing evidence indicates that immune mechanisms play an important role in the full development of SS hypertension and associated renal damage. Recent experimental advances and studies in animal models have permitted a greater understanding of the mechanisms of activation and action of immunity in this disease process. Evidence favors a role of both innate and adaptive immune mechanisms that are triggered by initial, immune-independent alterations in blood pressure, sympathetic activity, or tissue damage. Activation of immunity, which can be enhanced by a high-salt intake or by alterations in other components of the diet, leads to the release of cytokines, free radicals, or other factors that amplify renal damage and hypertension and mediate malignant disease.

Experimental and Kinetic Modeling Study of Laminar Burning Velocities of Cyclopentanone and Its Binary Mixtures with Ethanol and n-Propanol

Cyclopentanone is a promising biofuel that can enable more efficient engine operation and increase the fuel economy of the light duty fleet over current and planned technology developments. While the ignition of cyclopentanone has been investigated in detail, more studies on the laminar burning velocities of cyclopentanone are called for. In this work, the laminar burning velocities of cyclopentanone (C5H8O) have been measured using the heat flux and spherical flame methods at 1 atm, equivalence ratios from 0.7 to 1.6, and initial temperatures of 328, 353, and 428 K. To further investigate the relationship between the molecular structure and laminar burning velocity, identical experiments were also performed for binary mixtures of cyclopentanone with ethanol and n-propanol at 1:1 (mol). The consistency between the experimental data sets obtained in this work and literature data sets has been evaluated. A recently published mechanism of cyclopentanone was used for simulation after adopting the submechanism of n-propanol. Good agreement has been seen between experimental and simulated results for all flames. To qualitatively explain the characteristics of the laminar burning velocity of cyclopentanone and the differences with those of ethanol and n-propanol, sensitivity analysis and reaction pathway analysis have been performed to compare the chemistry of the fuels under flame conditions, which revealed how the molecular structure of cyclopentanone could affect its laminar burning velocity. Compared to ethanol and n-propanol, cyclopentanone does not have primary carbon atoms in its molecule, leading to lower production of methyl radicals. Meanwhile, the carbonyl group in the cyclopentanone molecule is mostly released as CO in the decomposition of multiple intermediates accompanied by the production of unsaturated C2 and C4 species, especially C2H4 and C2H3. Both features contribute to the high laminar burning velocity of cyclopentanone. (Less)

Chemical structure of atmospheric pressure premixed laminar formic acid/hydrogen flames

The work presents an experimental and kinetic modeling study of laminar premixed formic acid [HC(O)OH]/H2/O2/Ar flames at different equivalence ratios (φ=0.85, 1.1 and 1.3) stabilized on a flat burner at atmospheric pressure, as well as laminar flame speed of HC(O)OH/O2/Ar flames (φ=0.5–1.5) at 1 atm. Flame structure as well as laminar flame speed were simulated using three different detailed chemical kinetic mechanisms proposed for formic acid oxidation. The components in the fuel blends show different consumption profiles, namely, hydrogen is consumed slower than formic acid. According to kinetic analysis, the reason of the observed phenomenon is that the studied flames have hydrogen as a fuel but also as an intermediate product formed from HC(O)OH decomposition. Comparison of the measured and simulated flame structure shows that all the mechanisms satisfactorily predict the mole fraction profiles of the reactants, main products, and intermediates. It is noteworthy that the mechanisms proposed by Glarborg et al., Konnov et al. and the updated AramcoMech2.0 adequately predict the spatial variations in the mole fractions of free radicals, such as H, OH O and HO2. However, some drawbacks of the mechanisms used were identified; in particular, they predict different concentrations of CH2O. As for laminar flame speed simulations, the Konnov et al. mechanism predicts around two times higher values than in experiment, while the Glarborg et al. and updated AramcoMech2.0 show good agreement with the experimental data.

To-Do and Not-To-Do in Model Studies of the Uptake, Fate and Metabolism of Metal-Containing Nanoparticles in Plants.

Due to the increasing release of metal-containing nanoparticles into the environment, the investigation of their interactions with plants has become a hot topic for many research fields. However, the obtention of reliable data requires a careful design of experimental model studies. The behavior of nanoparticles has to be comprehensively investigated; their stability in growth media, bioaccumulation and characterization of their physicochemical forms taken-up by plants, identification of the species created following their dissolution/oxidation, and finally, their localization within plant tissues. On the basis of their strong expertise, the authors present guidelines for studies of interactions between metal-containing nanoparticles and plants.

Alkali-oxygen oxidation mechanism for producing benzene carboxylic acids from lignite: Experimental and molecular modelling studies

Alkali-oxygen oxidation of lignite is a potential route to produce high-value carboxylic acids, especially benzene carboxylic acids. However, this method leads to an unfavorably large consumption of inorganic alkali and a loss of more than 50% of the carbon in lignite as byproduct CO2. A combined theoretical and experimental study was applied to investigate the lignite alkali-oxygen oxidation mechanism at a molecular level. By analyzing lignite model simulations and the experimental results of model compounds, we obtained the formation pathways of carboxyl moieties and the alkali catalytic effect. The hydroxy radical is the major oxidant for dehydrogenation and oxygenation. The carboxyl group formation followed a chain-reaction pathway, which included side-chain/bridge-bond oxidation, aromatic carbon ring-opening oxidation and decarboxylation. Active sites for carboxyl group formation were clarified and confirmed by model compound experiments. Density functional theory calculations showed that the added alkali could promote side-chain/bridge-bond oxidation and the ring-opening reaction of polycyclic moieties by decreasing their reaction energies.

Detailed experimental and kinetic modeling study of 3‐carene pyrolysis

Abstract3‐Carene is an important potential biofuel with properties similar to the jet‐propellant JP‐10. Its thermal decomposition and combustion behavior is to date unknown, which is essential to assess its quality as a fuel. A combined experimental and kinetic modeling study has been conducted to understand the initial decomposition of 3‐carene. The pyrolysis of 3‐carene was investigated in a jet‐stirred quartz reactor at atmospheric pressure, at temperatures varying from 650 to 1050 K, covering the complete conversion range. The decomposition of 3‐carene was observed to start around 800 K, and it is almost complete at 970 K. Online gas chromatography shows that primarily aromatics are generated which suggests that 3‐carene is not a good fuel candidate. The potential energy surface for the initial decomposition pathways determined by KinBot shows that a hydrogen elimination reaction dominates, giving primarily cara‐2,4‐diene. Next to this molecular pathway, radical pathways lead to aromatics via ring opening. The kinetic model was automatically generated with Genesys and consists of 2565 species and 9331 reactions. New quantum chemical calculations at the CBS‐QB3 level of theory were needed to calculate rate coefficients and thermodynamic properties relevant for the primary decomposition of 3‐carene. Both the conversion of 3‐carene and the yields of the primary products (ie, benzene and hydrogen gas) are well predicted with this kinetic model. Rate of production analyses shows that the dominant pathways to convert 3‐carene are hydrogen elimination reaction and radical chemistry.