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1.
We have performed spectroscopy and photometry of eclipses of the pre-cataclysmic variable UUSge using the 6-m telescope of the Special AstrophysicalObservatory and the 1.5-mRussian-Turkish telescope. Our analysis of variations of the B-V and V-R color indices during the eclipses indicates that the temperature of the secondary is T eff,2 = 6000?6300 K. A similar value, T eff,2 = 6200 ± 200 K, follows from our comparison of the observed spectrum of UU Sge at the total eclipse phase and theoretical spectra of late-type stars. We identify 27 absorption lines of 11 chemical elements in the secondary??s spectrum. Their abnormal intensities indicate possible high-velocity turbulent motions (up to ?? turb = 10.0 km/s) in the atmosphere of the star and the presence of hot gas above its surface.  相似文献   

2.
The high-temperature enthalpies of liquid and glassy CaAl2Si2O8 were measured by drop calorimetry using a diphenyl ether drop calorimeter. These data are combined with published values of the high-temperature enthalpy of crystalline anorthite and the enthalpy of vitrification of anorthite to obtain the enthalpy of fusion of anorthite. Analysis of the data yields the following preferred values (enthalpy in kcal/mol, uncertainty limits correspond to two standard deviations):enthalpy of vitrification at 985 K, v H v 985=18.6±0.6; enthalpy of the liquid at 1,830 K, H 1830 l 300 g =130.4±1.2; enthalpy of the glass at 985 K, H 985 g -H 300 g =46.7±0.4; enthalpy of crystalline anorthite between 985 and 1,830 K, H 1830 c -H 985 c =69.9±1.4; calculated enthalpy of fusion of anorthite at 1,830 K, f H 1830= 32.4±2.1.The average heat capacity of supercooled liquid CaAl2Si2O8 between the glass transition (T g 1,086 K) and the melting point (T f7=1,830 K) is 102 ± 2 cal/mol/K. The large difference between the enthalpy of fusion and the enthalpy of vitrification for the minerals anorthite and diopside is emphasized. The practice of assuming fH vH should be discontinued for silicate compounds for which T f T g.  相似文献   

3.
Isothermal thermogravimetric experiments have been carried out to determine the reaction kinetics of the dehydration processes in fuller's earth, a natural Ca-montmorillonite. Dehydration in swelling clays is a complex reaction, and analysis of the thermogravimetric data using empirical rate equations and time-transformation analysis reveals that the nature of the rate controlling mechanism is dependent upon both the temperature regime of the sample as well as the extent of reaction. For fuller's earth, we find that the dehydration kinetics are dominated by a nucleation and growth mechanism at low temperatures and fractions transformed (stage I), but above 90 °C the last stages of the reaction are diffusion controlled (stage II). The activation energy for dehydration during stage I is around 35 kJ · mol−1, whereas the removal of water during stage II requires an activation energy of around 50 kJ · mol−1. These two stages of dehydration are associated with primary collapse of the interlayer (stage I) and movement of water that is hydrated to cations within the interlayer (stage II). Received: 28 August 1998 / Revised, accepted: 27 January 1999  相似文献   

4.
A pressure-volume-temperature data set has been obtained for lawsonite [CaAl2Si2O7(OH)2.H2O], using synchrotron X-ray diffraction and an externally heated diamond anvil cell. Unit-cell volumes were measured to 9.4 GPa and 767 K by angle dispersive X-ray diffraction using imaging plates. Phase changes were not observed within this pressure-temperature range, and lawsonite compressed almost isotropically at constant temperature. The P-V-T data have been analyzed using a Birch- Murnaghan equation of state and a linear equation of state expressed as β=–1/V0 (∂V/∂P) T . At room temperature, the derived equation of state parameters are: K 0=124.1 (18) GPa K'0 set to 4) and β–1=142.0(24) GPa, respectively. Our results are intermediate between previously reported measurements. The high-temperature data show that the incompressibility of lawsonite decreases with increasing temperature to ∼500 K and then increases above. Hence, the second order temperature derivative of the bulk modulus is taken into account in the equation of state; a fit of the volume data yields K 0=123.9(18) GPa, (∂K/∂T)P=–0.111(3) GPa K–1, (∂2 K/∂T 2)P=0.28(6) 10–3 GPa K–2, α0=3.1(2) 10–5 K–1, assuming K'0=4. Received: 2 June 1998 / Revised, accepted: 12 Ocotber 1998  相似文献   

5.
The compressibility and structure of a 2M1 paragonite with composition [Na0.88K0.10Ca0.01Ba0.01] [Al1.97Ti0.007Fe0.01Mn0.002Mg0.006]Si3.01Al0.99O10OH2 were determined at pressures between 1 bar and 41 kbar, by single crystal X-ray diffraction using a Merrill-Bassett diamond anvil cell. Compressibility turned out to be largely anisotropic, linear compressibility coefficients parallel to the unit cell edges being βa=3.5(1)·10?4, βb=3.6(1)·10?4, βc=8.3(3)·10?4 kbar?1 (βa:βb·βc=1:1028:2.371). The isothermal bulk modulus, calculated as the reciprocal of the mean compressibility of the cell volume, was 650(20) kbar. The main features of the deformation mechanism resulting from structural refinements at pressures of 0.5, 25.4, 40.5 kbar were: –?variation in sheet thickness, showing that compression of the c parameter was mainly due to the interlayer thickness reduction from 3.07 Å at 0.5 kbar to 2.81 Å at 40.5 kbar; –?the compressibility of octahedra was greater than that of tetrahedra, the dimensional misfit between tetrahedral and octahedral sheets increased with P, so that tetrahedral rotation angel α increased from 15° at 0.5 kbar to 21.6° at 40.5 kbar; –?the basal surface corrugation (Δz) of the tetrahedral layer, due to the different dimensions of M1 and M2 octahedra and to the octahedral distortion, decreased with P (Δz=0.19 and 0.12 Å at 0.5 and 40.5 kbar respectively). Comparison of the new data on paragonite with those of a K-muscovite and a Na-rich muscovite (Comodi and Zanazzi 1995) revealed a clear trend toward decreasing of compressibility when Na substitutes for K atoms in the interlayer sites.  相似文献   

6.
An improved method has been used for rapid determination of the ionic strength (I) and the salinity of Apulian groundwaters. The parameters required are the electrolytic conductivity (EC) and the total solute concentration (CT) of the solutions. A simple empirical relation between I, EC and CT is presented. The relation holds over a wide concentration and composition range. The combined use of CT and of the ratio ICT is shown to be effective in defining the salinity of groundwaters.  相似文献   

7.
In order to avoid the pollution of trace metals in marine environment, it is necessary to establish the data and understand the mechanisms influencing the distribution of trace metals in marine environment. The concentration of heavy metals (Fe, Mn, Cr, Cu, Ni, Pb, Zn, Co and Cd) were studied in sediments of Ennore shelf, to understand the metal contamination due to heavily industrialized area of Ennore, south-east coast of India. Concentration of metals shows significant variability and range from 1.7 to 3.7% for Fe, 284–460 μg g−1 for Mn, 148.6–243.2 μg g−1 for Cr, 385–657 μg g−1 for Cu, 19.8–53.4 μg g−1 for Ni, 5.8–11.8 μg g−1 for Co, 24.9–40 μg g−1 for Pb, 71.3–201 μg g−1 for Zn and 4.6–7.5 μg g−1 for Cd. For various metals the contamination factor (CF) and geoaccumulation index (I geo) has been calculated to assess the degree of pollution in sediments. The geoaccumulation index shows that Cd, Cr and Cu moderately to extremely pollute the sediments. This study shows that the major sources of metal contamination in the Ennore shelf are land-based anthropogenic ones, such as discharge of industrial wastewater, municipal sewage and run-off through the Ennore estuary. The intermetallic relationship revealed the identical behavior of metals during its transport in the marine environment.  相似文献   

8.
Lai  Han-Jiang  Cui  Ming-Juan  Wu  Shi-Fan  Yang  Yang  Chu  Jian 《Acta Geotechnica》2021,16(5):1457-1472

Concentration of cementation solution (CCS) is one of the key factors influencing the cementation effect on soil improvement through the microbially induced carbonate precipitation (MICP) process. To precipitate more calcium carbonate per treatment, a higher CCS is needed. However, the MICP process may be retarded or even terminated with an increase in CCS. This retarding effect can be a major limitation for the MICP-based soil treatment and thus needs to be understood properly. This paper presents a systematic study on the conditions causing retarding and its effect on biocementation. The test results of this study have identified that there is retarding effect of CCS on the MICP process, showing that the calcium conversion efficiency, which represents the amount of calcium that has been converted into calcium carbonate in each treatment, reduces with the increase in CCS, and the concentration of calcium is the control factor. The retarding effect will dominate increasingly when CCS is higher than 1.0 M and the amount of calcium carbonate precipitation will reduce for the given amount and type of bacteria used in this study and become zero with CCS of 2.5 M. For the same calcium carbonate content, the unconfined compressive strength is greater for sand treated using a lower CCS as the contribution to the bonding strength by the calcium carbonate generated under a lower CCS is greater than that under a higher CCS.

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9.
Although, the Eastern Desert of Egypt forms about 22% of the surface area of the country, the area is undeveloped due to the limited availability of water. The morphologic units of the Eastern Desert consist of a number of drainage basins covering about 147,820 km2 (66.5% of the total surface area of the Eastern Desert). The basins drain the occasional rainwater, either towards the Nile Valley or to the Red Sea, causing flood hazards. The availability of water from the hydrologic systems of these basins could be improved by constructing runoff controlling systems in these areas (e.g. dykes and partially effective dams), which could save and make use of a considerable amount of water. The groundwater resources in the Eastern Desert can be divided into four main water-bearing units: the fractured crystalline Pre-Cambrian aquifer, the Nubian sandstone aquifer, the fractured limestone and sandstone aquifer and the Quaternary aquifer. The most productive aquifer is the Nubian sandstone while the fractured limestone and sandstone (Miocene) are only productive along the eastern part of the desert. The Quaternary aquifer occurs along the major dry washes (wadis) and is considered of limited potential as it is recharged mainly from the occasional rainfall. Detailed assessment of these aquifers should be carried out locally for further development of the area.
Resumen Aunque el Desierto Oriental de Egipto constituye alrededor del 22% de la superficie del país, esta área no se encuentra desarrollada por causa de la escasez de agua. Las unidades morfológicas del Desierto Oriental consisten de un número de cuencas de drenaje que cubren alrededor de 147,820 km2 (66.5% del área superficial total del Desierto Oriental). Estas cuencas drenan las aguas lluvias ocasionales, bien hacia el Valle del Nilo o hacia el Mar Rojo, causando amenazas de inundación. La disponibilidad de agua a partir de los sistemas hidrológicos de estas cuencas, puede ser mejorada al construir sistemas de control de escorrentía allí (Ej. Diques y presas de efectividad parcial), las cuales podrían almacenar y permitir el uso de una cantidad considerable de agua. Los recursos de agua subterránea en el Desierto Oriental, pueden dividirse en cuatro unidades principales portadoras de agua: El acuífero fracturado cristalino Pre – Cámbrico, el acuífero de la Arenisca de Nubia, el acuífero de arenisca y caliza fracturadas y el acuífero Cuaternario. El acuífero más productivo es la arenisca de Nubia, mientras que la arenisca y caliza fracturadas (Mioceno), son productivas únicamente a lo largo de la parte oriental del desierto. El acuífero Cuaternario se encuentra a lo largo de las corrientes intermitentes mayores (Wadis) y se le considera de potencial limitado por ser recargado principalmente a partir de lluvia ocasional. Una evaluación detallada de estos acuíferos debe llevarse a cabo localmente, para el desarrollo adicional de esta área.
Résumé Bien que le Désert Est occupe 22% de la surface de lEgypte, la région est sousdeveloppée à cause de la ressource en eau limitée. Les unités morphologiques consistent en des bassins drainant qui couvrent une surface de 147,820 km2 ,représentant 66.6% de la surface du Désert Est. Les bassins drainent les plues intermittentes vers la vallée du Nil ou vers la Mer Rouge en provocant des inondations. On peut augmenter la ressource en eau dans cette région en réalisant des systèmes de contrôle de ruissellements (des digues...) qui peuvent sauver et utiliser un volume considérable deau. La ressource en eau souterraine du Désert Est est cantonnée dans quatre grandes structures: l› aquifère fracturé cristallin Précambrien, l› aquifère gréseux Nubien, l› aquifère calcaire et gréseux et l› aquifère quaternaire. Le plus productif est l› aquifère gréseux Nubien tendis que les calcaire et les grèses dage miocène sont productives seulement dans la partie est du désert. L› aquifère quaternaire se trouve au long des oueds sèches et on considéré quil a un potentiel limité, étant rechargé seulement par les plues intermittentes. Pour le futur développement de la région il est nécessaire une évaluation détaillée, à léchelle locale de ces aquifères.
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10.
The major steranes of the non-asphaltene fraction of Nigerian tar sand bitumen (maltene) are the c27-c29 diasteranes [13β(H),17α(H); 20R + S] and C28-C29 regular steranes [14β (H),17β (H); 20S]. The reducing metal reaction products of the corresponding asphaltenes (maltene-I) contain mainly C27-C29 regular steranes with the 14β(H),17β(H); 20R + S and 14α(H),17α(H); 20R + S configurations as well as the corresponding diasteranes having the 13β(H),17α(H); 20R + S configuration. These sterane distributions suggest that maltene-I corresponds to an unaltered oil whilst the maltene is equivalent to the product of severe biodegradation of maltene-I. This is consistent with maltene-I being the remnant of “original oil” trapped within the asphaltene matrix and protected from the effect of in-reservior biodégradation.Degradation of Nigerian asphaltenes by refluxing with ferric chloride-acetic anhydride or methanolic potassium hydroxide also releases soluble reaction products having the characteristics of unaltered oil such as the presence of n-alkanes having an unbiased distribution. These methods appear to be milder and more suitable than reducing metal reactions for releasing hydrocarbons occluded by asphaltenes.  相似文献   

11.
Nitrate contamination of groundwater arises from anthropogenic activities, such as, fertilizer and animal manure applications and infiltration of wastewater/leachates. During migration of wastewater and leachates, the vadose zone (zone residing above the groundwater table), is considered to facilitate microbial denitrification. Particle voids in vadose zone are deficient in dissolved oxygen as the voids are partially filled by water and the remainder by air. Discontinuities in liquid phase would also restrict oxygen diffusion and therefore facilitate denitrification in the vadose/unsaturated soil zone. The degree of saturation of soil specimen (S r) quantifies the relative volume of voids filled with air and water. Unsaturated specimens have S r values ranging between 0 and 100 %. Earlier studies from naturally occurring nitrate losses in groundwater aquifers in Mulbagal town, Kolar District, Karnataka, showed that the sub-surface soils composed of residually derived sandy soil; hence, natural sand was chosen in the laboratory denitrification experiments. With a view to understand the role of vadose zone in denitrification process, experiments are performed with unsaturated sand specimens (S r = 73–90 %) whose pore water was spiked with nitrate and ethanol solutions. Experimental results revealed 73 % S r specimen facilitates nitrate reduction to 45 mg/L in relatively short durations of 5.5–7.5 h using the available natural organic matter (0.41 % on mass basis of sand); consequently, ethanol addition did not impact rate of denitrification. However, at higher S r values of 81 and 90 %, extraneous ethanol addition (C/N = 0.5–3) was needed to accelerate the denitrification rates.  相似文献   

12.
The techniques of electron paramagnetic resonance (EPR) were used to measure the concentration ratio of Eu2+ to Eu3+ in quenched silicate liquids as a function of their compositions. The compositional end members were CaAl2Si2O8 and either MSiO3 or M2Si04, M = Mg, (Ca0.5, Mg0.5), and Ca. All of the liquids were quenched from 1650 ± 25°C, 10?6.9±0.6 atm of oxygen, and 10?6.1±0.6 atm total pressure. For a particular choice of M, the ratio of Eu2+ to Eu3+ increased as much as a factor of 24 with increasing atomic ratio (Al + Si)/(O); for a constant value of (Al + Si)/(O), the ratio of Eu2+ to Eu3+ increased in the order Mg > (Ca0.5,Mg0.5) >Ca. In order to interpret the compositional dependence of the redox equilibrium of Eu in a systematic manner, the concept of a solvent coefficient was introduced.  相似文献   

13.

The patterns of the distribution of technogenic radionuclides 137Cs and 90Sr in the water mass and bottom deposits of three fjords of Western Spitsbergen (Isfjorden and its arms Grønfjorden and Billefjorden) were studied. The hydrological processes affecting migration of radionuclides in these water bodies were described. It was shown that the ice sheet of the archipelago that accumulates atmospheric precipitation is a source of radioactive contamination of the marine environment of the coast. Technogenic isotopes were accumulated during nuclear weapon testing in the second half of the twentieth century. The current climatic changes strengthen the role of glaciers in the contamination of arctic seas. It was noted that extrema of the 137Cs and 90Sr specific activity is mainly concentrated in the areas of glacier runoff discharge.

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14.
Based on the hypothesis that shearing stresses and normal tensile stresses both play a decisive role in fracturing and brittle failure of rock material, a novel strength criterion was developed in one of the earlier works of the author. In the criterion, a certain parameter ν′ occurs which depends on the structure of the material. Originally, the parameter was treated as a constant, which resulted in a linear form of the strength function F σ 1 = f(σ 3), where σ 3 = σ 2. Although the linear strength criterion is sometimes found to be applicable to various particular rock materials, it is not, in general, of a universal character. Analysis of the triaxial test results for 75 different sandstones revealed that parameter ν′ usually increases in an exponential or linear manner as confining pressure increases, and only in isolated cases does it seem to be independent of the confining pressure. For these three types of function ν′ = f(p) appropriate strength criteria F σ 1 = f(σ 3) are given in the present paper. These criteria were used to fit all of the collected empirical data sets. In general, a very good fit to the data was obtained.  相似文献   

15.
In situ X-ray diffraction measurements of Fe- and Al-bearing MgSiO3-rich perovskite (FeAl-Pv), which was synthesized from a natural orthopyroxene, were performed at pressures of 19–32 GPa and temperatures of 300–1,500 K using a combination of a Kawai-type apparatus with eight sintered-diamond anvils and synchrotron radiation. Two runs were performed using a high-pressure cell with two sample chambers, and both MgSiO3 perovskite (Mg-Pv) and FeAl-Pv were synthesized simultaneously in the same cell. Thus we were able to measure specific volumes (V/V 0) of Mg-Pv and FeAl-Pv at the same P−T conditions. At all the measurement conditions, values of the specific volume of FeAl-Pv are consistent with those of Mg-Pv within 2 Standard Deviation, strongly suggesting that effect of incorporation of iron and aluminum on the thermoelastic properties of magnesium silicate perovskite is undetectable in this composition, pressure, and temperature range. Two additional runs were performed using a high-pressure cell that has one sample chamber and unit-cell volumes of FeAl-Pv were measured at pressures and temperatures up to 32 GPa and 1,500 K, respectively. All the unit-cell volume data of FeAl-Pv perovskite were fitted to the high temperature Birch–Murnaghan equation of state and a complete set of thermoelastic parameters of this perovskite was determined with an assumption of K′ 300,0 = 4. The determined parameters are K 300,0 = 243(3) GPa, (∂K T,0/∂T) P = −0.030(8) GPa/K, a 0 = 2.78(18) × 10−5 K−1, and b 0 = 0.88(28) × 10−8 K−2, where a 0 and b 0 are the coefficients of the following expression describing the zero-pressure thermal expansion: α T,0 = a 0 + b 0 T. The equation-of-state parameters of FeAl-Pv are in good agreement with those of MgSiO3 perovskite at the conditions corresponding to the uppermost part of the lower mantle.  相似文献   

16.
An analysis of the possible relationship between fractal dimensions of the active fault network, spatial distribution of earthquake epicenters, and parameter b in the Gutenberg-Richter law is presented. The quantitative characteristics of self-similarity of the seismic process and the active fault network of seismically active areas of Eurasia are obtained. This self-similarity manifests itself over a range of at least two orders of spatial scales and magnitudes. The obtained estimations of the fractal dimensions of the fault network D f and epicenter field D e are close for all the areas analyzed. It is established that the average value connecting values D and b for all the investigated areas is slightly higher than the theoretical value (2.0) and varies within the range of 1.7–2.4.  相似文献   

17.
To describe an individual earthquake or the seismicity of a region, simple parameters such as magnitudes are necessary. In seismicity studies observations for as long as possible time intervals should be at disposal and subsequently the continuity of the parameters' quality should be guaranteed. MGR or MS can be such parameters. mb(sp) of USGS and ISC is another one, but it has been accumulated only since the 1960s. An international proposal to introduce or revive classical mb asks to change the traditional procedure of measuring the P maximum within a few seconds from the P onset. Some confusion appears to exist for recent mb-data in EDR of USGS. It is strongly hoped that the traditional procedure of USGS for mb(sp)-determination will not be discontinued and that the new mb will be introduced only as an additional parameter.  相似文献   

18.
The paper considers the evolution of the supernova envelopes produced by Population III stars with masses ofM * ?? 25?C200M ?? located in non-rotating protogalaxies with masses of M ?? 107 M ?? at redshifts z = 12, with dark-matter density profiles in the form of modified isothermal spheres. The supernova explosion occurs in the ionization zone formed by a single parent star. The properties of the distribution of heavy elements (metals) produced by the parent star are investigated, as well as the efficiency with which they are mixed with the primordial gas in the supernova envelope. In supernovae with high energies (E ? 5 × 1052 erg), an appreciable fraction of the gas can be ejected from the protogalaxy, but nearly all the heavy elements remain in the protogalaxy. In explosions with lower energies (E ? 3 × 1052 erg), essentially no gas and heavy elements are lost from the protogalaxy: during the first one to threemillion years, the gas and heavy elements are actively carried from the central region of the protogalaxy (r ?? 0.1r v , where r v is the virial radius of the protogalaxy), but an appreciable fraction of the mass of metals subsequently returns when the hot cavity cools and the envelope collapses. Supernovae with high energies (E ? 5 × 1052 erg) are characterized by a very low efficiency of mixing of metals; their heavy elements are located in the small volume occupied by the disrupted envelope (in a volume comparable with that of the entire envelope), with most of the metals remaining inside the hot, rarified cavity of the envelope. At the same time, the efficiency of mixing of heavy elements in less energetic supernovae (E ? 3 × 1052 erg) is appreciably higher. This comes about due to the disruption of the hot cavity during the collapse of the supernova envelope. However, even in this case, a clear spatial separation of regions enriched and not enriched in metals is visible. During the collapse of the supernova envelope, the metallicity of the gas is appreciably higher in the central region ([Z] ?? ?1 to 0) than at the periphery ([Z] ?? ?2 to ?4) of the protogalaxy; most of the enriched gas has metallicities [Z] ?? ?3.5 to ?2.5. The masses of enriched fragments of the supernova envelope remain appreciably lower than the Jeans mass, except in regions at the center of the protogalaxy upon which the surrounding enriched gas is efficiently accreted. Consequently, the birth of stars with metallicities close to those characteristic of present-day Galactic stars is very probable in the central region of the protogalaxy.  相似文献   

19.
The effect of various concentrations of crude oil on fungal populations of soil was investigated for a period of 18 weeks using standard methods. Total fungal counts ranged from 26 to 143 χ 102 cfu/gsoil while counts of petroleum-utilizing fungi ranged from 2 to 102 χ 102 cfu/g soil. Analysis of variance and randomized complete block design of counts of total fungi and petroleum-utilizers showed high significant difference between the control and the oil treated soils at p? 0.05 level. Counts of petroleum-utilizers expressed as a percentage of the corresponding total fungal count of the soils ranged from 4.7 % to 58.8 %. Species of fourteen fungal genera were isolated from the soils. These include Alternaria,Aspergillus, Candida, Cephalosporium, Cladosporium, Fusarium, Geotrichum, Mucor, Penicillium, Rhizopus, Rhodotolura, Saccharomyces, Torulopsis and Trichoderma. Of these, ten were petroleum-utilizers and were all isolated from the control and 1 % oil treated soils. Only seven genera were isolated from the 5 % oil treated soil out of which five genera were petroleum-utilizers in both the 3 % and 5 % treatment. The decreasing order of occurrence of a variety of fungal genera (fungal diversity) of both total fungi and petroleum-utilizers is 0 % (control) > 0.5 % > 1 % > 3 % > 5 %. This order of fungal diversity is a reverse of the decreasing order of fungal counts of these same soils. This showed that higher concentrations of crude oil has adverse effect on fungal diversity while enhancing the population of a fewer fungi.  相似文献   

20.
Quantifying the role of black carbon (BC) in geochemical processes is difficult due to the heterogeneous character of its chemical structure. Chestnut wood charcoal samples produced at heat treatment temperatures (HTT) from 200-1000 °C were analysed using two different solid state 13C NMR techniques. First, aromaticity was determined as the percentage of total signal present in the aromatic region of 13C direct polarisation (DP) spectra. This was found to increase through the low temperature range of 200-400 °C; at higher temperatures, aromaticity was found to be >90%. Second, aromatic condensation was determined through the measurement of the chemical shift of 13Cbenzene sorbed to the charcoals, which is influenced by the presence of “ring currents” in the aromatic domains of the charcoals. This technique was less sensitive to molecular changes through the lower temperature range, but showed there was a smooth increase in the degree of condensation of the aromatic structures with increasing temperature through the temperature range 400-1000 °C. Ab initio molecular modelling was used to estimate the size of aromatic domains in the charcoals based on the strength of the ring currents detected. These calculations indicated that charcoals produced at temperatures below 500 °C contain aromatic domains no larger than coronene (7 ring). At higher temperatures the size of these domains rapidly increases, with structures larger than a 19 ring symmetrical PAH being predominant in charcoals produced at temperatures above 700 °C. Data from this study were found to be generally consistent with previously published measurements using the benzenepolycarboxylic acid (BPCA) molecular marker method on the same set of samples.  相似文献   

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