dataesr/scientific-paragraphs-categorization huggingface dataset:
5. However, we hasten to note that the present correlation seems to be valid only for fuel blends exhibiting near unity Le, since, including the 60%H2 -40% NH3 dataset (♦ symbol with red outline in left bottom side of Fig. 5 ), meaningfully reduces both constants and the fitting curves. Additionally, it was deemed of interest to validate experimental data at much higher Ka conditions (Ka>100, broken reaction regime limit), since turbulent NH3 premixed flames can exhibit much higher turbulence Ka, due to its relative chemical time scale properties (δL/SL 0 ) in comparison to hydrocarbons  [1]. Fan et al. [15]  experimental data of premixed ammonia/air jet flames at high Ka showed a relatively satisfactory agreement with Eqn. 2. As such, it is interesting to note that Eqn. 2, yields good agreement with other flame configurations, as highlighted in Lorenzo et al.
This appears to corroborate with the flame wrinkling evolution, and the equivalent flame velocity propagation (Fig. 3 ). Nevertheless, the pure NH3/ air and the blends with only 10% H2 and 30% CH4 displayed a much greater increase in wrinkling flame ratio, with this wrinkling intensification decreasing with higher CH4 and H2 content. In an attempt to better understand this intensified wrinkling, To enhance clarity, only results for pure NH3, NH3/H2 (70-30%) and pure CH4 are plotted in Fig. 6 (e) and (f) for both u', since the blends respectively demonstrated high, moderate and low wrinkling ratios respectively as illustrated in Fig. 6 (c ) and (d). The full datasets for every dataset are in the SM (SM 5). As can be seen in Fig. 6 (e), the mean flame curvature decreases from positive to approaching an asymptotic value close to zero with time according to a hyperbolic evolution.
4. Conclusions Only a few limited experimental datasets for NH3 combustion under turbulent conditions are available in literature. To improve the knowledge gap related to the understanding of turbulent-flame interaction of ammonia-based fuels, a first attempt of flame structure study using Mie-Scattering tomography was undertaken. Using the expanding spherical flame configuration, the turbulent flame speed of NH3 and ammonia blend with up to 60% volume of CH4 and H2 were evaluated at various turbulent intensities. Present experimental data, alongside previous literature datasets, including oxygen-enriched NH3 show good correlation with parameters characteristic of premixed turbulent combustion, Da and Ka. Flame morphology and stretch sensitivity analysis were conducted, revealing that the flame curvature remains relatively similar between NH3 and other mixtures investigated, following a classical evolution.
Water content was estimated using thermogravimetry using a Mettler Toledo TGA/DSC1, with a resolution of ±1 μg and maximum temperature of 1100 °C. The controlling software was STARe (version 12. 10). Samples of ca. 5 mg were placed in 75 μL alumina crucibles with no lid and measured using a Maximum Resolution (MaxRes) program from 25 to 400 °C at a heating rate varying between 0. 15 to 15 K/min. Fourier Transform Infrared (FTIR). The Fourier transform infrared (FTIR) spectroscopy employed was a PerkinElmer Spectrum One with universal ATR sampling accessories for the solid phase or with a NaCl disc for the liquid one. This machine was used to show that hydrogen bonds form between the two components and compared to the O-H stretching frequencies of the pure HBD. Liquid Chromatography�Mass Spectrometry (LC-MS).
The progress of reactions was immediately monitored by recording the decrease in absorbance at 273 nm. Measurements were performed each minute for 5 h at 37 ± 0. 1 °C, with 5 s of stirring before each measurement, using a Saffire 2 microplate reader (Tecan, Groedig, Austria) equipped with Magellan software. Each experiment was performed in triplicate (three wells), and results were expressed as the mean of the CAT value (see below) ± Sd. Similar to the ORAC assay, the antioxidant value of a sample was calculated through the difference between the area under the curve of this sample and that of the blank (without eutectic extract). The result of this operation gave the net area under the curve (AUC) which was then plotted on a graph as a function of the extract concentration. Only the linear part of the curve was taken into account to calculate the slope, which was then divided by the slope of the Trolox (standard) calculated in the same conditions and analyzed on the same microplate.
Density and heat capacity measurements. Information about the structure's density and specific heat capacity plays an essential role in thermal conductivity evaluation by photothermal methods. The densities of all ILs (average value of three measurements) were determined directly from their weighing at room temperature (T = 25 °C). Determination of specific heat of ILs was carried out by the differential calorimetry method. Two thermally insulated aluminium vessels were used so that heat losses to the surroundings can be kept as low as possible. The heat was supplied equally by heating nichrome coils which were immersed simultaneously in vessel with water and with studied liquid. The temperature changes in each vessel was recorded by K-type thermocouples connected to a 2-channel LCD data logger with a resolution of 0.
4. It was found that the thermal conductivity of the "PSi/IL" composite systems increases up to 2. 5 times compared to the initial PSi samples. The difference can be explained by improved thermal contact between the Si crystallites and the IL as a filler  37  and the structuration of the liquid layer close to the interface of the porous matrix  40. The assessment of these factors to the resulting thermal conductivity was carried out by simulating thermal transport in the original porous silicon and composite systems using COMSOL Multiphysics software. A 3D model reconstructed a porous matrix's morphological features before and after filling with an ionic liquid was created. As important markers for the simulation of the PSi structure, the average size of silicon nanocrystallites connected by narrow bridges, observed in several SEM images (see Fig.
Functionalization of the Gate Electrode Gate functionalization was performed as described in Section 2 and illustrated in Figure  2. XPS, FTIR and cyclic voltammetry techniques were used to characterize the grafting and coupling steps. XPS and FTIR experiments were carried out on commercial planar Au electrodes (sputtered gold on glass plates). Data analyses are detailed in Appendix C. In summary, complete chemisorption of the spacer (1-azido-6-thiohexane) and the ligand (DO3A-alkyne) on Au are confirmed by XPS analysis (Figure  A1 ). Secondly, the atomic composition of the electrode surface after the click coupling was consistent with the addition of DO3A-alkyne to the electrode. This indicates that the surface coupling conditions The DOTA or DO3A-alkyne solutions were inserted into the calorimeter and the system was let to equilibrate.
Functionalization of the Gate Electrode Gate functionalization was performed as described in Section 2 and illustrated in Figure  2. XPS, FTIR and cyclic voltammetry techniques were used to characterize the grafting and coupling steps. XPS and FTIR experiments were carried out on commercial planar Au electrodes (sputtered gold on glass plates). Data analyses are detailed in Appendix C. In summary, complete chemisorption of the spacer (1-azido-6-thiohexane) and the ligand (DO3A-alkyne) on Au are confirmed by XPS analysis (Figure  A1 ). Secondly, the atomic composition of the electrode surface after the click coupling was consistent with the addition of DO3A-alkyne to the electrode. This indicates that the surface coupling conditions were sufficiently mild to proceed at the solid-liquid interface  [25].
Funding: The authors from Normandie Université thank the University of Rouen Normandy, INSA Rouen Normandy, the Centre National de la Recherche Scientifique (CNRS), European Regional Development Fund (ERDF), Labex SynOrg (ANR-11-LABX-0029), Carnot Institut I2C, the graduate school for research Xl-Chem (ANR-18-EURE-0020 XL CHEM) and the Region Normandie. The authors from Université Paris Cité thank the Centre National de la Recherche Scientifique (CNRS) and the Labex SEAM (Science and Engineering for Advanced Materials and devices, ANR 11 LABX 086, ANR11 IDEX 05 02) for funding.
Optical microscopy Bright field and cross-polarised optical microscopy was carried out by placing 10 mL of sample on a cavity slide, covered by a coverslip and mounted on Linkam THMS600 stage stage at 15 1C. The sample was then heated to the desired temperature (25, 35, 45 1C) at 10 1C min À1 and allowed to equilibrate for 5 min. Images were captured using Olympus BX41 reflection microscope equipped with a Basler acA2000-165um camera controlled with PylonViewer using 10Â/0. 25 Ach and 50Â/0. 50 MPlanFLN Olympus objectives with cross-polarised filters (U-AN-2 analyser and U-PO3 polariser), and bright-field (BF) and cross-polarised data were analysed with ImageJ.
Small-angle neutron scattering SANS experiments were carried out at the Institut Laue Langevin, Grenoble, using the D22 spectrometer, equipped with front and rear detectors, placing the latter at two distances 17. 6 m and 5. 6 m to the sample, and neutron wavelength l = 6 Å. The measured wavevector q range was 0. 003 to 0. 8 Å À1. The samples were loaded into 'banjo' Hellma cells of 1 mm path length with a needle (which induces preferred orientation in liquid crystalline phases). Sample cells were mounted on a thermostated rack and measured at 25, 35 and 45 1C. Selected samples (containing 6. 5 w/v% SDS) were measured from 25-65 1C in 5 1C steps. The data were reduced and calibrated with GRASP by subtracting empty cell transmission, sample transmission, open beam transmission and D 2 O background scattering, and radiallyor sector-averaged, as appropriate.
Data fitting was carried out with SasView 5. 0. 5. In total, 24 samples and in excess of 100 spectra (at different temperatures) were measured and analysed. Lamellar structures L a were fitted with the random head-tail sheet with Caillestructure factor model (SASView lamellar_HG_stack),  30  parameterised by the lamellar d-spacing and thickness d, the Cailleparameter Z (characterising the membrane bending rigidity and compression modulus), and number of layers, as well as by the scattering length density profile; polydispersity p D of d-spacing was also introduced. The sponge L 3 phase was fitted with a model reported by Lei et al. 31, 32  coded into SASView, yielding estimates of the average sponge pore size, x, and membrane thickness, d, as a function of membrane volume fraction f v (V octanol + V SDS )/V total and temperature.
Acknowledgements We thank the  Institut Laue Langevin (Grenoble)  for beamtime; data available on doi. ill. fr/10. 5291/ ILL-DATA. 9-10-1651  (static SANS) and doi. ill. fr/10. 5291/ ILL-DATA. 9-10-1706  (flow SANS), and  W. N. Sharratt  for help with coding the sponge phase model. We thank  EPSRC  ( EP/V056891/1 ) and  Imperial College London  for a PhD studentship for LD; JTC acknowledges the  Royal Academy of Engineering (RAEng, UK)  and  Procter & Gamble  for funding a  Research chair.
Acknowledgement This work was supported by the  IDEX-CDP Eco-SESA program  from the  Université Grenoble Alpes  and the  French State  through the program "Investment in the future" operated by the  National Research Agency (ANR)  and referenced by  ANR-11-LABX-0008-01  ( Labex DAMAS ). 2FDN ( Fédération Française de Diffusion Neutronique)  is acknowledged for beam time allocation and the skillful assistance from the CRG-D1b team and  Simon Beaudouin  from the  Institute Laue Langevin (ILL) neutron source in Grenoble (France ) were greatly appreciated. Dr. WEN Jing  thanks the  National Natural Science Foundation of China  (No. 52201241 ) for financial support.
Light polarized perpendicular to the incident plane is referred to as S polarized, whereas light polarized parallel to the incident plane is P polarized. The vibrational modes that contribute to a particular polarization combination depend on the polarization of the infrared field and the direction of the infrared and Raman transition moments. The SSP polarization combination accesses vibrational modes primarily with dipole transition moments that have components perpendicular to the surface plane. Whereas, vibrational modes with components that are both perpendicular and parallel to the surface plane will be present in PPP polarization. 64  1. 1. 3 Second Harmonic Intensity and Nonlinear Susceptibility. Given that the SHG data is being modeled, we further describe the relevant details here.
The second harmonic intensity of the water-air interface was collected using the custom built second harmonic instrument described above using PP polarization. (Other polarization data shown in the SI. ) The reflected second harmonic signal intensity, 𝐼(2𝜔), on the neat water surface can be written in terms of the incoming laser intensity, 𝐼(𝜔), as follows:  [67] [68] [69]   𝐼(2𝜔) = 32𝜋 𝜔 sec 𝛽 𝑐 𝑛 (𝜔)𝑛 (𝜔)𝑛 (2𝜔) 𝜒 ( ) 𝐼 (𝜔) (12) Where, c0, ni(ωi) and β denote the speed of light in vacuum, refractive index of the medium, and incident angle of the incoming laser normal to the water surface, respectively. Here, 𝜒 ( ) indicates the effective second-order susceptibility of the water surface. The effective second-order susceptibility data of water at different external potentials and polarization are presented as Fresnel-removed second order susceptibilities in Fig.
Acknowledgments: "This work was supported by the  U. S. Department of Energy, Office of Science, Basic Energy Sciences , under Awards #  DE-SC0016381  and #  DE-SC0018094 ,  Allen  and  Willard Labs , respectively. HCA and KKR acknowledge  Prof. A. Co  for helpful discussions. S. P. acknowledges financial support by the  Deutsche Forschungsgemeinschaft (DFG, German Research Foundation)  under  Germany 's.
This spectrometer was employed to collect data on homologues PEO/LiTFSI samples differing only for their isotopic composition as follows: i) dP 14k (EO) 7. 5 LiTFSI (sample 1b); and ii) dP 14k (EO) 7. 5 6 LiTFSI (sample 2). Here Li indicates natural lithium which contains 7. 5% of 6 Li and 92. 5% of 7 Li. Two incoming neutron λs were employed, namely, 4 Å and 7 Å, with a Δλ\λ ≈ 18%; 4 Å provided a Q range from 0. 41 Å -1 to 2. 2 Å -1 and times from 1 ps to 1 ns; and 7 Å gave a Q range from 0. 2 Å -1 and 1. 3 Å -1 and times from 7 ps to 7 ns, respectively.
Conclusion In conclusion, the relaxation dynamics of the IRO and ERO in model polymer electrolyte PEO/LiTFSI was investigated using neutron spin echo. The data obtained at the Q value corresponding to the IRO are in good agreement with previous reports, whereas the data at the ERO are reported here for the first time. The timescale of the ERO relaxation is almost an order of magnitude slower than that of the IRO which indicates both that the cylindrical structures originating the ERO have a finite lifetime and also that they are rather stable. In fact, comparison with the time scale of the Rouse dynamics of the chains suggests that the entropic motion of the chain might be the origin of the ERO decay. However, IRO and ERO dynamics have the same temperature dependence suggesting that the same underlying motion triggers both.
Acknowledgments Samuel Lovat ,  Ari Satanowski ,  Kang Zhou  for reading and commenting on the text. Philipp Keller ,  Julia-Eva Fortmueller ,  Filipe Natalio ,  Kang Zhou ,  Iddo Pinkas ,  Alla Falkovich ,  Hortense Viefaure  and  Pauline Ejsmont  for helping with the experiments. Electron microscopy studies were conducted at the  Irving and Cherna Moskowitz Center  for Nano and  Bio-Nano Imaging  at the  Weizmann Institute of Science. We are grateful to the late  Arren Bar-Even  for providing the formatotrophic E. coli strain.
The drive signal of fuel injection was transmitted from a programmable Electronic Control Unit (ECU), which could also synchronise injection with ''768 × 768 pixels at 10 000 frames per second'' images captured by a high-speed camera. Then, using MATLAB, the captured images were converted to grayscale, followed by image processing and calculation. In order to minimise the potential interference of suspended fuel droplets caused by the preceding injection, injection pulse width was set to be 1. 2 ms, and the injection frequency was fixed to be a very low level of 0. 1 Hz. The aluminium alloy plate was cleaned and restored thoroughly every five injections. Fuel was injected into an ambient condition of 293 ± 0. 5 K and 0. 1 MPa. An air extractor was used to eliminate the safety risks of experimental site.
g. oscillations), were also identified  [50] , which are also a critical benchmark for mechanism validation, since they involve the overlapping of chemistry, mass flow and heat exchange phenomena  [51]. In terms of flame propagation features, plenty of datasets on laminar flame speeds (LFS) on such mixtures have been made available in the last decade  [52] [53] [54] [55] [56] [57] [58]. All of them pointed out a more-than-linear increase of the burning velocity with the hydrogen mole fraction. At a theoretical level, the knowledge on ammonia pyrolysis and oxidation mechanism has recently expanded thanks to an extensive use of quantum-chemistry based tools  [22, 59, 60]  for an accurate and relatively quick estimation of the critical rate constants affecting ammonia combustion. These were then implemented in the most recent kinetic mechanisms describing ammonia oxidation  [15, 20, 38, 47, [61] [62] [63].
Kinetic model The kinetic model describing NH 3 /H 2 pyrolysis and oxidation was built starting from the previous work by Stagni et al. [20] , and Table  2  lists the most relevant reactions, either updated or relevant for the different kinetic analyses (Section 3). In the mentioned work, the mechanism was developed following a first-principles approach: by combining sensitivity analysis of NH 3 conversion in the investigated conditions with a literature review of the uncertainty range of the critical reactions identified, a specific set of reactions was theoretically investigated, i. e. ammonia (R1) and HNO (R9) decompositions (pressure-dependent) along with H-abstractions by the main radicals (R3 to R6). The adopted methodology was the ab initio transition state theory based master equation (ME) approach (AITSTME) implemented into the EStokTP software  [22].
[68]  (R34 and R35). Finally, a further update involved the thermal NO x model, by introducing the recommended rate by Abián et al. [16]  for R38. The final mechanism, accounting for 31 species and 203 reactions, was successfully validated against a wide range of experimental data on NH 3 pyrolysis and oxidation, and is attached (in CHEMKIN format) in the SM. The validation of this model was not limited to the datasets obtained in the dedicated experimental campaign, but also included i) ignition delay times in shock tubes and RCMs, ii) speciation in jet stirred reactors, flow reactors and burner-stabilized flames, and iii) laminar flame speeds. Details are provided in the SM of the reference work  [20].
Fig. summarizes this behavior by showing the temperatures, at which the two fuels reach a 50% conversion (T 50% ). For a more complete overview of this trend, NH 3 /H 2 mixtures were simulated also outside of the experimental range (0. 01 ≤ x H2 ≤ 0. 85). The rate of reduction in T 50% with x H2 is maximum with pure NH 3 , then converging to a linear trend for x H2 ≥ 10%, with the two fuels reaching a common T 50% for high H amounts. For all of the considered datasets, the kinetic model is able to reasonably predict the experimental trends, in terms of both species profiles and T 50%. Regarding species profiles, it is worth noticing the prediction of a peak in the H 2 mole fraction for x H2 ≤ 21%, before its consumption, thus pointing out a chemical interaction between both fuels. In order to understand this, Fig.
In terms of nitrogen conversion and NO yield (referred to nitrogen), evaluated as: η NO = X NO X NH3 + 2*X N2 + X NO (3) the 6 experimental datasets suggest that the addition of hydrogen to the fuel mixture increases the NO yield from ~5% to ~10% in a monotonic way. From a modeling standpoint, results are still reasonable with regard to N 2 mole fraction, and within the 10% uncertainty. Concerning NO  formation, three major points must be emphasized: i) especially for the lowest amounts of hydrogen, an overprediction up to a factor 2 is present at the highest temperatures, which is reduced to a factor ~1. 5 by increasing the hydrogen amount. Qualitatively, this is in line with the performance of the same model in a previous study performed in a FR with pure NH 3  [20]. ii) The non-monotonic trend is no longer retained with increasing the H 2 amount in the fuel mixture, as at the highest temperatures an inversion is observed for the mixtures with lower amounts of hydrogen.
Lower-temperature: oxidation in a jet-stirred reactor In order to highlight the features of the intermediate-temperature regime analyzed in Section 3. 1, the lower-temperature experiments of ammonia-hydrogen mixtures recently performed in a JSR by Zhang et al. [49]  were considered. Lean and stoichiometric conditions, at atmospheric pressure, were explored (Φ NO = 0. 25 and Φ NO = 1), using nitrogen as balance gas. Fourier-transform infrared (FTIR) spectroscopy was used for the identification and the quantification of species (NH 3 , H 2 O, NO and N 2 O). This technique does not allow to detect homonuclear diatomic species like N 2 and H 2. Fig. 8  shows the results for the leaner compositions (the remaining datasets are presented in SM), in terms of NH 3 consumption and water formation, as well as nitrogen fate (NO, N 2 O).
Therefore, considering R34 and R35, the predictive features with respect to the two datasets are antagonistic to each other. The second key reaction driving N 2 O formation is the conversion of NH 2 to NH via R23. Since such a path brings to the formation of NH and subsequent conversion to N 2 O via R34, Fig. 10b  shows that R23 has an importance comparable to the former, while being not particularly relevant in the formation of NO. The kinetic model adopts the rate proposed by Li et al. [66] , which is 20% lower than the value proposed by Klippenstein et al. [67] , and a factor 3 lower than the evaluation by Mousavipour et al. [90]  at 1000 K, thus providing the closest predictions to the experimental data.
Experimental data (cfr. Table  1  of  [46] ) vs modeling results. Volume histories were obtained through private communication from the authors of  [46]. to a 0-dimensional one. Therefore, even if using RCM data for kinetics development would not be fully appropriate, since chemistry is coupled to boundary-layer effects, using a 0D reactor with an assigned volume profile provides a first benchmark of the mechanism performance. Fig. 11  provides a parametric comparison of modeling predictions in lean conditions at different compression pressures and variable x H2 , with variable hydrogen amounts (datasets by Pochet et al. [45]  and He et al. [47]  are shown in the SM). Mixed results can be observed, even in comparable conditions: considering the data by Dai et al. [46] , a very reasonable agreement with the experimental IDTs can be observed for all the NH 3 /H 2 mixtures, while the IDT of pure ammonia is underestimated.