dataesr/scientific-paragraphs-categorization huggingface dataset:
01 and ± 0. 03 units pH T in treatments of pH T ∼ 7. 8 and ∼7. 4, respectively (±SD over 7 days at 2 s observation frequency; K. J. Kroeker, unpublished). More complex systems using mass flow controllers to mix N 2 and CO 2 gas at constant flow rates yielded pH stability around 0. 005 units pH T  (Bockmon et al. , 2013) , while systems using active feedback between the mass flow controllers and Durafets have achieved stability of 0. 002 units pH T (T. R. Martz, unpublished). One of the benefits of using Durafets in feedback systems is that it allows for automated pH control in flow-through systems where the incoming water characteristics may be changing through time. For advanced applications addressing environmental variability, the relay set point can be programmed to vary through time using a computer program such as LabVIEW.
Potentiometric and/or pH Measurements OCP values were recorded continuously with a data acquisition device (Keithley Instruments, model 2700, Cleveland, OH, USA). Three different reference electrodes were used: (i) An internal reference electrode of a combined pH electrode (Fischer brand, AgCl/Ag/KCl sat. /AgCl sat. E = 197. 0 mV/SHE); (ii) SCE inserted in a lugging capillary containing KCl 3 M (SCE/KCl sat. E = 244. 4 mV/SHE); and (iii) An MSE electrode inserted in a lugging capillary containing saturated K 2 SO 4 (MSE/K 2 SO 4 sat. E = 640 mV/SHE). This lugging capillary introduces a junction potential of 1 mV at 25 • C. All potential values were converted with respect to the standard hydrogen electrode (SHE). During experiments, pH was also monitored with a commercial glass electrode that was calibrated daily using commercial standard buffer solutions (4, 7 and 10).
Geochemical Modelling The PHREEQC ® (USGS, Denver, CO, USA) geochemical code (see also the PHREEQC web site: https://wwwbrr. cr. usgs. gov/projects/GWC_coupled/phreeqc/) was used for thermodynamic investigation of the Eh of the measured sample with the appropriate associated THERMODEM ®  [58]  thermodynamic database generated by BRGM (Orléans, France). Redox potential values were calculated by using speciation data provided by UV-spectrometry (ISO 6332:1988)  [59].
All-Solid-State Monocrystalline Antimony pH Electrode The performances of the monocrystalline antimony electrode (Sb(s)) were investigated by monitoring OCPs on pH values ranging from 5 to 12, in accordance with those anticipated in the COx formation once radioactive waste is buried. The reliability and robustness were investigated in the presence of several anions such as chloride, phosphate, nitrate and hydrogenocarbonate/carbonate, since these are or are susceptible to be present on site and are likely to cause OCP drift. Throughout the 18 months of experiments, monocrystalline antimony electrodes were used without any treatment. For a better insight, data were compared to those acquired with antimony-based screen-printed electrodes (Sb(SPEs)) that were renewed every 48 h. First, several experiments were conducted in ammonia pH buffer solutions from pH 7.
Geochemical Modelling The PHREEQC ® (USGS, Denver, CO, USA) geochemical code (see also the PHREEQC web site: https://wwwbrr. cr. usgs. gov/projects/GWC_coupled/phreeqc/) was used for thermodynamic investigation of the E h of the measured sample with the appropriate associated THERMODEM ®  [58]  thermodynamic database generated by BRGM (Orléans, France). Redox potential values were calculated by using speciation data provided by UV-spectrometry (ISO 6332:1988)  [59].
2. E h = -157 mV/SHE in the presence of goethite + 0. 07 × 10 -6 M Fe 2+ in solution. Nevertheless, problems of solubility uncertainty are assumed in the database. The redox potential was probably fixed by the Fe(OH) 3 /Fe 2+ redox couple, which depends upon Fe(OH) 3 solubility as a function of pH. While limitations to the interpretation of E h remain, the interest in continuous monitoring of voltage measurements using multiple redox electrodes is clearly shown in order to ensure reliable qualitative measurements. This example highlights that for not well-balanced oxygen-sensitive systems, speciation should absolutely be preserved to provide qualitative information on redox conditions. Nevertheless, preserving the initial conditions is extremely difficult. A complementary approach by successively coupling amperometric and potentiometric measurements, in which an electro-active redox mediator improved the rate of electron transfer from the redox active solid phases to the electrode, has been developed for redox-potential measurements of minerals  [62].
Acknowledgments: This work was funded by a  BRGM-ANDRA  partnership ( CAPTANDRA  project  2009-2018 ). The authors thank  Société HEITO  from  Paris, France  ( Jean Pierre Heitzmann and Frédéric Bota ) for fabricating the electrodes and  SCODIP from Orléans, France  ( Yannik Legueunic ) for manufacturing the multi-parametric device. Marinus Kluijver  from  Olivet France , corrected the English of the manuscript.
Materials characterization Silica aerogels were prepared by supercritical drying of the hydrogels. In a first step, the hydrogels were dehydrated by a series of immersion (15 min each) in aqueous solutions containing 50, 70 and 90 % ethanol, followed by two immersions in absolute ethanol (96 %). Then the recovered samples were introduced in the cold chamber (10°C) of a Baltec CPD 030 equipment and ethanol was slowly replaced by liquid CO2 using several injection/removal cycles. Once all ethanol was removed, the chamber was heated to 40°C and the CO2 in the supercritical state was slowly removed. The N2 adsorption-desorption isotherms of aerogels were obtained at 77 K using a Belsorp-Max instrument from MicrotracBEL. The specific surface areas SBET and corresponding CBET constant were calculated according to the Brunauer-Emmett-Teller (BET) method using adsorption data in the relative pressure range from 0.
Effect of pollutants on cell suspensions The inhibition rate of fluorescence emission was evaluated immediately after the exposition of micro-algae to pollutants (30 s) and after 30 minutes. Results for both times are similar and data shown here and afterwards are after 30 s of exposition (Fig. 2a-c  and Electronic Supplementary Material Fig. S1  for selected fluorescence spectra). For A. flos-aquae, the inhibition of the fluorescence emission was observed even for the lowest tested concentration (1 µM) of pollutants (see data for low pollutant concentration in Electronic Supplementary Material Fig. S2 ). Values for the various pollutants were rather similar, in the 20-22 % range. The inhibition extent increased sharply with the increasing pollutant concentration to reach 51. 5 %, 34. 5 % and 42.
For our scope, it is mandatory to run both models with the same initial conditions. The calibration is performed by minimizing the "distance" between the output obtained from the ABM and the same output obtained from the DS. The "distance" is evaluated using the Root Mean Square (RMS) deviation, which is also function of γ. ( ) 12 N is the number of time points, typically one every month. is the output of the dynamical system at the i-th time point, while is the output of the ABM at the same time point. We minimized the RMS using a genetic algorithm from Matlab® Optimization Toolbox. Once the value of γ was retrieved, the DS was calibrated with a certain degree of error, and it shows the same output of the ABM. The conceptual scheme is valid both for the calibration of intimal hyperplasia and of outward remodeling.
A. Chemistry tabulation In the present work combustion chemistry modeling relies on chemistry tabulation using premixed flamelet archetypes. For such purpose a set of 1-D freely propagating premixed flames is computed using the detailed chemistry GRI. 3. 0 18 mechanism, involving 53 species and 325 reactions and considering differential diffusion effects. The 1-D flames are computed using the REGATH  19  thermochemistry package developed at the EM2C laboratory. The fresh gas equivalence ratio is varied between the full flammability limits ( i. e 0. 5 < φ < 1. 8 ). Following the FPI formalism introduced by Gicquel et al. in,  20  the chemical subspace covered by the 1-D flames is mapped as a function of two coordinates: the mixture fraction Z and the progress variable Y c. The mixture fraction is used to identify the fresh gas equivalence ratio, varying from 0 in pure air and 1 in pure fuel.
C. F-TACLES model The second turbulent combustion model, used for the LES simulation of the Sydney piloted jet burner, is F-TACLES (Filtered Tabulated Chemistry for LES) model. F-TACLES is based on the tabulation of a set of 1-D freely propagating premixed flames, filtered using a Gaussian operator of width ∆ along the direction normal to the flame front. Y c is solution of the following balance equation : ∂ρ Y c ∂t + ∂ ∂x i ρ u i Y c = ∂ ∂x i α Y c ρ 0 D 0 ∂ Y c ∂x i - ∂ ∂x i ρ u i Y c -ρ u i Y c + Ξ ∆ ρ ωYc (8) The parameters D 0 and ρ 0 are reference parameters. The factor α Yc is expressed following the same formalism proposed in Eq 3, modeling the molecular diffusive-fluxes using data from the filtered 1-D flamelets as follows: α Yc [ Y c, z] = - Nsp k=1 n k ρ * Y * k V * k ρ 0 D 0 ∂ Y * c ∂x * i (9) According to  5  the unresolved sub-grid fluxes are modeled as follows : ∂ ∂x i ρ u i Y c -ρ u i Y c = Ξ ∆ Ω Yc [ Y c , z] + ∂ ∂x i (Ξ ∆ -1) α Y c ρD ∂ Y c ∂x i ( 10 ) where Ω Yc , is computed and tabulated from the filtered database as: Ω Yc [ Y c , z] = ρ * (z)S * l (z) ∂Y * c ∂x * i -ρ ( z) * S * l (z) ∂ Y * c ∂x * i (11) The filtered reaction rate is estimated from the filtered look-up table as: ωYc [ Y c , z] = ω * Yc ( 12 ) Further details about the F-TACLES model and about the generation of the filtered database can be found in  5  and in.
1 ). Two configurations have been investigated that correspond to Lr = 300 mm and Lr = 75 mm distances, respectively. Unsteady solutions of these simulations constitute a numerical database showed to the numerical combustion community within the framework of the TNF workshop. 31 This database is used to prescribe the main inlet boundary conditions, built in term of flow velocity and mixture fraction. Computed mean mixture fraction and velocity profiles at the burner exit plane are shown in Fig 3  a  and b. The case Lr300 -59 exhibits quasi-uniform mixture fraction profile, that corresponds to a mean equivalence ratio of 4. 76, which is above the rich flammability limit (φ = 1. 8). A diffusion flame structure is then expected. At the opposite, the Lr75 -80 case exhibits a strongly "inhomogeneous" mixture fraction profile at the burner exit plane.
The main characteristics of the two simulated configurations are summarized in Tab. 1 Table  1. Main characteristics of the two simulated flames including the bulk velocity of the three jets. U b is the mean bulk flow velocity of the main jet. Up and Tp are respectively the pilot gases velocity and temperature. Uc is the co-flow velocity. Flame For F-TACLES model, a filtered database has been generated with the filter size ∆ = 1mm. It corresponds to a stoichiometric filtered reactive layer δ r ≈ 3. 5δ l0. As ∆ x has a mean value of 0. 2 mm in the flame zone, the condition n = δ r /∆ x = 5 is satisfied, ensuring a proper propagation of the filtered flame front, without introducing numerical artifacts. As suggested in  32  for the TFLES-FPI simulations, a thickening factor of F Yc = 5∆ x /δ l0 has been retained so that the thickened reactive layer δ r is equivalent to the filtered one retained for F-TACLES simulations.
Bulk X-ray scattering Bulk X-ray scattering data was measured in transmission geometry using Cu K a , l = 0. 154 nm radiation (Rigaku MicroMax 007 X-ray generator, Osmic Confocal Max-Flux curved multilayer optics). The IL was contained in an 1 mm thick glass capillary (wall thickness 0. 01 mm). Capillaries were placed in a nitrogen stream (Oxford Cryostream 700) and a temperature controlled copper holder inside a vacuum tube for wide and small angle scattering experiments respectively. Scattering data was recorded on an online image plate detector (Mar345, MarResearch) at a sample-detector distance of 352 mm and 2089 mm. Background from high energy radiation, was removed by a Laplace filter based masking algorithm. Scattering patterns I(q) vs. momentum transfer q = 4p/l sin(y) were obtained by radial averaging of the 2D-scattering patterns.
72, 78 Dispersion effects were included using X-ray form factors from Henke et al. 69  Density profiles were extracted from the experimental XRR data by parameter refinement using a simulated annealing algorithm. 79 Damping of the specular reflectivity due to capillary wave roughness of the liquid surface  80, 81  was taken into account by G cw q ð Þ ¼ exp À k B T 2pg ln q m Dq q z 2 ! (8) assuming a surface tension g = 30 mN m À1 , 82 a molecular cutoff q m = p nm À1 and a resolution of Dq = 1. 3 Â 10 À3 q z. However, changes in surface tension and molecular cutoff give comparable quality fits with similar density profiles. This is explained by parameter coupling between the intrinsic surface roughness s s , and the capillary wave damping factor G cw (q).
Surface structure Density profile r e (z) across the liquid surface with molecular scale resolution were extracted from the XRR patterns. Fig. 5a  shows XRR curves R(q z ) versus momentum transfer of the [C 22 C 1 im] + [NTf 2 ] À surface for different temperatures above the bulk melting point. To highlight features originating from density modulations adjacent to the liquid surface, data was  This journal is © the Owner Societies 2017 normalized to the Fresnel reflectivity R F (q z ) of an structure-less surface (eqn (  1 )). For [C 22 C 1 im] + [NTf 2 ] À we calculate a critical momentum transfer of total reflection <(q c ) = 0. 23 nm À1. 69 This corresponds to a critical incidence angle a c = 0. 0701 at 18 keV. From the experimental data we extract a critical momentum transfer q c = 0. 21 nm À1.
Acknowledgements Grazing incidence surface scattering and preliminary XRR data were obtained at  ID10-EH1 ,  ESRF  The European Synchrotron, Grenoble, France. XRR experiments were conducted at the LISA instrument at beamline P08, Petra III,  DESY, Hamburg, Germany  funded by  BMBF  (project  05K10FK2  and  05K130FK2 ). We thank  Gunnar Kircher  ( MPI-P ) for [C 22 C 1 im] + [NTf 2 ] À synthesis,  Xilin Wu  ( MPI-P ) and  Guoming Liu  ( Chin. Acad. Sci. ) for assistance during the synchrotron experiments and  Peter Reichert  ( MPI-P ),  Julia Haddad  ( Bar-Illan Univ. ), and  Hans-Ju ¨rgen Butt  ( MPI-P ) for helpful discussions. J. M. and M. M. acknowledge the  MAINZ Graduate School of Excellence , funded through the  Excellence Initiative  ( DFG/GSC 266 ) and the  German Israeli Foundation  for scientific research and development ( 2306-2310.
The high speed PIV analysis gave new insights into the cause-and-effect chains and comprehensive datasets were build up in order to help further optimizing the engine for highly diluted engine operation. PIV has been used extensively to capture in-cylinder flows  [6]  providing flow fields within a plane. High speed PIV provides crank-angle resolved flow fields and has been used to investigate cycle-to-cycle fluctuations  [7, 8, 9, 10]. To visualize the 3-Dimensional (3D)-flow Baum et al. [11]  used tomographic PIV within few millimeter thick volumes surrounding the central tumble plane. Bode et al. [3]  utilized a quasi-simultaneous multi-plane time-resolved PIV approach to investigate the flows evolution from the mid-valve plane into the central tumble plane. Despite recent improvements of PIV approaches flow field measurements are limited to plane or thin volumes and important regions of the flow as for example the flow in the intake port and the valve gap remain inaccessible.
Predictive simulations aim at capturing in-cylinder processes of new engine designs correctly without any input from experiments. In this sense LES is not predictive yet and needs validation first before it can be used for engine development. There is no universal reliable LES validation strategy available and the question remains open on which level of detail a validation is required. Depending on the process of interest different quantities for comparison as well as different level of agreement might be needed. The objective of this paper is to present a new validation strategy where high speed PIV has been used first to identify the relevant quantities and regions of the flow important for engine development and then validate the simulation by direct comparisons. The aim of this ongoing effort is to build up a reliable LES dataset, complementary to the already existing PIV measurements.
The light sheet was focused with cylindrical lenses (f = 500 mm) to 0. 5 mm (Full Width at Half Maximum (FWHM)) thick light sheets. A concave cylindrical lens (f = À50 mm) together with a concave cylindrical lens at the bottom of the piston window generated a divergent light sheet enlarging the field-of-view. Silicon oil droplets (~0. 5 lm mean diameter) were seeded into a large plenum volume prior to the intake port to ensure homogeneous seeding densities using a cyclone based droplet seeder (Palas AGK 2000). A 12 bit CMOS camera (Vision Research Phantom v1610 1280 9 800 active pixel) was used to record  the scattered light in the central tumble plane. A variable pulse separation "dt" was optimized for the velocity scale of each phase. Two datasets were taken. For the first dataset (Campaign1) the spark plug was removed.
The measurements were performed during intake and compression stoke from 360°bTDC (before Top Dead Centre) up to TDC. At 2000 rpm a double image was captured every 1. 5°CA and 200 consecutive cycles were recorded. The second dataset (Campaign2) was taken with the spark plug in place. The measurements were performed in the compression stroke from 105°bTDC up to TDC. At 2000 rpm a double image was recorded every 3°CA and 300 consecutive cycles were taken. The PIV post processing was carried out with the commercial software Davis 8. 2. 2 (LaVision). To eliminate phase-steady artefacts, a background image was calculated by taking the minimal appearing intensity over all cycles for each pixel. This is done for each recorded Computer-Aided Design (CAD) and the respective background image is subtracted from each image.
2 ). A local mesh refinement of 0. 3 mm was used within the spark-plug region. The time step for the explicit time advancement of AVBP is driven by the smallest cell volume in the domain. Figure  3  shows the evolution of the minimum spatial resolution over CAD during the intake and the compression strokes. It remains relatively constant except for small valve lifts where a higher mesh resolution is needed in the valve curtains. Special care needs to be taken on the control of the minimum cell volumes especially during mesh deformation to ensure a high quality mesh. As a result the mesh generation using the software CENTAUR turned out to be a crucial but very time consuming procedure. An automated mesh generation process has been recently developed for AVBP and has drastically reduced the overall meshing time.
Standard Post-Processing Tool An in-house standard post-processing tool has been developed over the last years in order to analyze and display the measurement and simulation results in the exact same way. The LES and PIV velocity fields were therefore mapped onto a common 2D-Cartesian grid of 0. 5 mm cell size first. The same Matlab routines were then applied to the LES and PIV data. This procedure ensures that exactly the same processing steps and definitions of the quantities of interest are applied to both the simulations and the experimental results.
Measurement System The optical readout setup is shown in Figure  3   [8]. A LED module (OSRAM LTN91E) is used to excite the Resazurin at 560 nm and a photodiode module (Texas Instrument OPT301) is used to detect Resorufin fluorescence. This latter one is connected to a data acquisition system and a network analyzer to collect data. Experiments were performed in a dark room at 30 °C.
The dimensions of the X-ray beam used to sample through the 4 mm i. e. sample bed were 0. 5 mm (height) × 2 mm (width). Bi-directional QEXAFS was employed with a time per (uni-directional) spectrum (24-25. 5 keV) of ca. 10-20 s. During experimentation QEXAFS spectra were sequentially collected along the catalyst bed at intervals of 0. 5 mm, starting at the inlet and ending at the outlet. This process was then repeated throughout the remainder of the experiment. Data reduction was made using "Prestopronto" XAFS [27] software or PAXAS  [28]  prior to EXAFS analysis using EXCURV  [29]. The continuous flow reactor and the overall experimental protocols followed in this study have been fully described elsewhere  [10]. Briefly, the solvent used comprised of a 50:50 v/v mixture of H 2 O/EtOH. The solvent components were individually degassed using nitrogen gas bubbled through the liquids, followed by sonication after mixing.
Funding This work was funded by  EPSRC (UK) , [grant number  EP/ G070172/1 ], [grant number  EP/L003279/1 ] with additional contributions from the  Pharmacat Consortium (AstraZeneca, GlaxoSmithKline and Pfizer ). EMB was supported by  Xunta Galicia , CJM by an  EPSRC industrial Doctoral Training Grant  (AstraZeneca).
Uncertainty analysis & future improvement discussion The uncertainties for the BSR and the efficiency are calculated as it is proposed in GUM  [33] : u 2 c = n i=1 1 2 (f [x 1 ,. , x i + u(x i ),. , x n ] -f [x 1 ,. , x i -u(x i ),. , x n ]) 2. (5) High inherent inaccuracies occur when measuring at low turbine power with low pressure ratio and are naturally increasing towards higher BSRs and towards lower reduced speeds like visible in Figure  16. Consequently, measuring at higher rotational speeds for obtaining extreme off-design results allows to obtain a more trustworthy dataset. Thus, it is from interest to improve the measurement method and to allow measurements at higher speeds. The obtained mass flow maps in this paper are less influenced by the heat transfer, as observed by Serrano et al.
4769 at 1550 nm, while for the core of SMF-28 optical fiber it is 1. 468). The calculated value of refractive index obtained from recorded spectra and the reference data are shown to be in good agreement, with difference below 0. 029. Following, the measurements were performed for pure water. The value of refractive index measured by our sensor was within 0. 032 of the reference value. To further explore the potential of presented construction in the biosensing applications, the fabricated sensor head was tested with sample of glucose and hemoglobin solution, obtaining refractive index values of 1. 3940 and 1. 2958, respectively. All of the measurements were performed with the 1550 nm source, the obtained spectra are presented in Figure  8. The visibility V of the measured signals has decreased in all cases, which was expected as the cavity length was optimized for mediums with a refractive index of 1.
0. However, this reduced visibility should not degrade the accuracy of the refractive index calculations. For each sample, the measurements were performed during a 7-h period. The spectra recorded for each liquid remained stable during this time period. This initial stability test indicated that there was no degradation in the sensing properties of the TiO2 film. In order to confirm that proposed ALD-enhanced FPI can be used for measurements of the materials with refractive index close to that of silica glass, sensor response was examined for measurements of benzene (refractive index equal 1. 4769 at 1550 nm, while for the core of SMF-28 optical fiber it is 1. 468). The calculated value of refractive index obtained from recorded spectra and the reference data are shown to be in good agreement, with difference below 0.