The internal energies and entropies of 21 well-known minerals were calculated using the density functional theory (DFT), viz. kyanite, sillimanite, andalusite, albite, microcline, forsterite, fayalite, diopside, jadeite, hedenbergite, pyrope, grossular, talc, pyrophyllite, phlogopite, annite, muscovite, brucite, portlandite, tremolite, and CaTiO3–perovskite. These thermodynamic quantities were then transformed into standard enthalpies of formation from the elements and standard entropies enabling a direct comparison with tabulated values. The deviations from reference enthalpy and entropy values are in the order of several kJ/mol and several J/mol/K, respectively, from which the former is more relevant. In the case of phase transitions, the DFT-computed thermodynamic data of involved phases turned out to be accurate and using them in phase diagram calculations yields reasonable results. This is shown for the Al2SiO5 polymorphs. The DFT-based phase boundaries are comparable to those derived from internally consistent thermodynamic data sets. They even suggest an improvement, because they agree with petrological observations concerning the coexistence of kyanite?+?quartz?+?corundum in high-grade metamorphic rocks, which are not reproduced correctly using internally consistent data sets. The DFT-derived thermodynamic data are also accurate enough for computing the P–T positions of reactions that are characterized by relatively large reaction enthalpies (>?100 kJ/mol), i.e., dehydration reactions. For reactions with small reaction enthalpies (a few kJ/mol), the DFT errors are too large. They, however, are still far better than enthalpy and entropy values obtained from estimation methods. 相似文献
The North Qilian orogenic belt is a typical plate suture zone, which is studded with numerous different sizes of fragments of micro-continental crust consisting of pre-Sinian metamorphic rocks and the North Qilian orogenic belt provides important study carrier for studying the pre-orogenic tectonic process of the North Qilian. The relatively complete volcanic-clastic-carbonate rocks formation of Zhulongguan Group, Changchengian System, Mesoproterozoic are distributed in the Kawa-Qiqing area, Western North Qilian orogenic belt. Geochemical characteristics of the Aoyougou Group basalts in the North Qilian indicated that the contents of major element were relatively stable, high K2O contents(4.27%~6.07%), TFe2O3(10.49%~13.01%),TiO2(1.96%~2.90%)and middle MgO(5.37%~6.71%,Mg# 48~51), CaO(2.57%~5.51%)content. Thus, the Aoyougou Group basalts belong to potassium alkaline basalt. The contents of Cr and Ni of the basalts decreased with the decreasing of Mg#, and there was a positive correlation between CaO and CaO/Al2O3, Furthermore, the Eu anomaly of samples was slightly negative, high contents of high field strength elements (HFSE, Nb, Ta, Ti), and the ratios of Gd/Yb(2.5~3.0), Zr/Y(8.6~10.2), Ta/Yb(0.96~1.23), Ti/Yb(5 074~6 021), Zr/Yb(81~97), Ce/Nb(1.87), Zr/Nb(6.41)indicated that the Aoyougou Group basalts had obvious OIB-type magmatic affinity. In combination with the regional geological background, the study results showed that Aoyougou Group alkaline basalt generated from deep enrichment mantle similar to the source of OIB, with fractional crystallization of olivine and monoclinic pyroxene and a certain degree of contamination of continental crust in the process of magmatism, formed in the background of continental rift, might response to the Proterozoic Columbia supercontinent rifting, which further provides important petrological evidences for the relationship between North China Craton rifting events and Columbia supercontinent rifting during Proterozoic. 相似文献
Concern about climate change has motivated France to reduce its reliance on fossil fuel by setting targets for increased biomass-based renewable energy production. This study quantifies the carbon costs and benefits for the French forestry sector in meeting these targets. A forest growth and harvest simulator was developed for French forests using recent forest inventory data, and the wood-use chain was reconstructed from national wood product statistics. We then projected wood production, bioenergy production, and carbon balance for three realistic intensification scenarios and a business-as-usual scenario. These intensification scenarios targeted either overstocked, harvest-delayed or currently actively managed stands.
Results
All three intensification strategies produced 11.6–12.4 million tonnes of oil equivalent per year of wood-based energy by 2026, which corresponds to the target assigned to French wood-energy to meet the EU 2020 renewable energy target. Sustaining this level past 2026 will be challenging, let alone further increasing it. Although energy production targets can be reached, the management intensification required will degrade the near-term carbon balance of the forestry sector, compared to continuing present-day management. Even for the best-performing intensification strategy, i.e., reducing the harvest diameter of actively managed stands, the carbon benefits would only become apparent after 2040. The carbon balance of a strategy putting abandoned forests back into production would only break even by 2055; the carbon balance from increasing thinning in managed but untended stands would not break even within the studied time periods, i.e. 2015–2045 and 2046–2100. Owing to the temporal dynamics in the components of the carbon balance, i.e., the biomass stock in the forest, the carbon stock in wood products, and substitution benefits, the merit order of the examined strategies varies over time.
Conclusions
No single solution was found to improve the carbon balance of the forestry sector by 2040 in a way that also met energy targets. We therefore searched for the intensification scenario that produces energy at the lowest carbon cost. Reducing rotation time of actively managed stands is slightly more efficient than targeting harvest-delayed stands, but in both cases, each unit of energy produced has a carbon cost that only turns into a benefit between 2060 and 2080.
Natural Hazards - Urban flood inundation is worsening as the number of short-duration rainstorms increases, and it is difficult to accurately predict urban flood inundation over a long lead time;... 相似文献
Geotechnical and Geological Engineering - The stability monitoring of surrounding rock in layered roadway is an important method to ensure the safety of deep mining coal mine. In view of the actual... 相似文献
Hydraulic fracturing is an essential technology for the development of unconventional resources such as tight gas. The evaluation of the fracture performance and productivity is important for the design of fracturing operations. However, the traditional dimensionless fracture conductivity is too simple to be applied in real fracturing operations. In this work, we proposed a new model of dimensionless fracture conductivity (FCD), which considers the irregular fracture geometry, proppant position and concentration. It was based on the numerical study of the multistage hydraulic fracturing and production in a tight gas horizontal well of the North German Basin. A self-developed full 3D hydraulic fracturing model, FLAC3Dplus, was combined with a sensitive/reliability analysis and robust design optimization tool optiSLang and reservoir simulator TMVOCMP to achieve an automatic history matching as well as simulation of the gas production. With this tool chain, the four fracturing stages were history matched. The simulation results show that all four fractures have different geometry and proppant distribution, which is mainly due to different stress states and injection schedule. The position and concentration of the proppant play important roles for the later production, which is not considered in the traditional dimensionless fracture conductivity FCD. In comparison, the newly proposed formulation of FCD could predict the productivity more accurately and is better for the posttreatment evaluation.