Computing derivative information of sequentially coupled subsurface models

A generic framework for the computation of derivative information required for gradient-based optimization using sequentially coupled subsurface simulation models is presented. The proposed approach allows for the computation of any derivative information with no modification of the mathematical framework. It only requires the forward model Jacobians and the objective function to be appropriately defined. The flexibility of the framework is demonstrated by its application in different reservoir management studies. The performance of the gradient computation strategy is demonstrated in a synthetic water-flooding model, where the forward model is constructed based on a sequentially coupled flow-transport system. The methodology is illustrated for a synthetic model, with different types of applications of data assimilation and life-cycle optimization. Results are compared with the classical fully coupled (FIM) forward simulation. Based on the presented numerical examples, it is demonstrated how, without any modifications of the basic framework, the solution of gradient-based optimization models can be obtained for any given set of coupled equations. The sequential derivative computation methods deliver similar results compared to FIM methods, while being computationally more efficient.     

Solubility of KFe(CrO4)2·2H2O at 4–75°C

The solubility of KFe(CrO₄)₂·2H₂O, a precipitate recently identified in a Cr(VI)-contaminated soil, was studied in dissolution and precipitation experiments. Ten dissolution experiments were conducted at 4–75°C and initial pH values between 0.8 and 1.2 using synthetic KFe(CrO₄)₂·2H₂O. Four precipitation experiments were conducted at 25°C with final pH values between 0.16 and 1.39. The log K_SP for the reaction

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Mixing and chemical interdiffusion of trachytic and latitic magma in a subvolcanic complex of the Tertiary Westerwald (Germany)

A special kind of magma mixing is extraordinarily well exposed in the Bittersberg subvolcanic complex in the Tertiary volcanic field of the German Westerwald: A trachytic melt has been penetrated by a latitic dyke which has been dispersed within the host magma as small spherical enclaves (globules). Whole rock analyses of the globules show a change in composition that cannot be explained by a simple mechanical mixing between the endmembers. The most evolved globules have a phonolitic composition. Microprobe measurements in the microlithic matrix of the host rock and the guest indicate a diffusive motion of the alkalis from the host into the globules. On the other hand, an opposite trend can be observed for Ca, Mg, Fe and Ti, which are impoverished in the globules. The trace elements and the middle rare earth elements (MREE) has also been involved in the diffusive exchange. The REE-pattern of the most evolved (phonolitic) globules shows a characteristic trough in the area of the MREE which is almost identical to the REE-pattern of many phonolites. The phonolites and the alkali-rich trachytes of the Westerwald show similar globular textures as the Bittersberg volcanics. Therefore, generation of these rocks involving diffusive element exchange during mixing processes in a magma reservoir situated on a deeper crustal level may be possible.     

The accessibility of nodes in the Belgian road network

This paper presents an analysis of the accessibility of nodes in the Belgian road network. The intersection of roads are considered as the nodes and their connecting roads as the edges of a network. By means of the Dijkstra algorithm accessibility values are computed for each node by summing shortest travel times to a reference system of 158 nodes spread evenly over the Belgian territory. A comparison of the measured actual accessibility with that determined from an optimal situation provides an indication of the quality of directness of the Belgian road system. Accessibility and directness are shown cartographically. An isochronal map illustrates the access to Brussels.     

Semantic and syntactic interoperability in online processing of big Earth observation data

ABSTRACT

The challenge of enabling syntactic and semantic interoperability for comprehensive and reproducible online processing of big Earth observation (EO) data is still unsolved. Supporting both types of interoperability is one of the requirements to efficiently extract valuable information from the large amount of available multi-temporal gridded data sets. The proposed system wraps world models, (semantic interoperability) into OGC Web Processing Services (syntactic interoperability) for semantic online analyses. World models describe spatio-temporal entities and their relationships in a formal way. The proposed system serves as enabler for (1) technical interoperability using a standardised interface to be used by all types of clients and (2) allowing experts from different domains to develop complex analyses together as collaborative effort. Users are connecting the world models online to the data, which are maintained in a centralised storage as 3D spatio-temporal data cubes. It allows also non-experts to extract valuable information from EO data because data management, low-level interactions or specific software issues can be ignored. We discuss the concept of the proposed system, provide a technical implementation example and describe three use cases for extracting changes from EO images and demonstrate the usability also for non-EO, gridded, multi-temporal data sets (CORINE land cover).     

Chemical Mechanism Development: Laboratory Studies and Model Applications

Within the German Tropospheric Research Programme (TFS) numerous kinetic and mechanistic studies on the tropospheric reaction/degradation of the following reactants were carried out: oxygenated VOC, aromatic VOC, biogenic VOC, short-lived intermediates, such as alkoxy and alkylperoxy radicals.At the conception of the projects these selected groups were classes of VOC or intermediates for which the atmospheric oxidation mechanisms were either poorly characterised or totally unknown. The motivation for these studies was the attainment of significant improvements in our understanding of the atmospheric chemical oxidation processes of these compounds, particularly with respect to their involvement in photooxidant formation in the troposphere. In the present paper the types of experimental investigations performed and the results obtained within the various projects are briefly summarised. The major achievements are highlighted and discussed in terms of their contribution to improving our understanding of the chemical processes controlling photosmog formation in the troposphere.     

Products and Mechanism of the Gas Phase Reaction of Ozone with β-Pinene

Gas phase ozonolysis of -pinene was performedin a 570 l static reactor at 730 Torr and 296 K insynthetic air and the products were analysed by acombination of gas phase FTIR spectroscopy, HPLC andIC analyses of gas phase and aerosol samples,respectively. The reaction mechanism was investigatedby adding HCHO, HCOOH and H₂O as Criegeeintermediate scavenger and cyclohexane as OH radicalscavenger. Main identified products (yields inparentheses) in the presence of cyclohexane as OHradical scavenger were HCHO (0.65 ± 0.04),nopinone (0.16 ± 0.04), 3-hydroxy-nopinone (0.15± 0.05), CO₂ (0.20 ± 0.04), CO (0.030± 0.002), HCOOH (0.020 ± 0.002), the secondaryozonide of -pinene (0.16 ± 0.05), andcis-pinic acid (0.02 ± 0.01). The decompositionof the primary ozonide was found to yieldpredominantly the excited C₉-Criegee intermediateand HCHO (0.84 ± 0.04) and to a minor extent theexcited CH₂OO intermediate and nopinone (0.16± 0.04). Roughly 40% of the excitedC₉-Criegee intermediate becomes stabilised andcould be shown to react with HCHO, HCOOH and H₂O. The atmospherically important reaction of thestabilised C₉-Criegee intermediate with H₂Owas found to result in a nopinone increase of (0.35± 0.05) and in the formation of H₂O₂(0.24 ± 0.03). Based on the observed products,the unimolecular decomposition/isomerisationchannels of the C₉-Criegee intermediate arediscussed in terms of the hydroperoxide and esterchannels. Subsequent reactions of the nopinonylradical, formed in the hydroperoxide channel, lead tomajor products like 3-hydroxy-nopinone but also tominor products like cis-pinic acid. A mechanismfor the formation of this dicarboxylic acid isproposed and its possible role in aerosol formationprocesses discussed.     

The Summer Surface Energy Balance of the High Antarctic Plateau

The summertime surface energy balance (SEB) at Kohnen station, situated on the high Antarctic plateau (75°00′ S, 0°04′ E, 2892m above sea level) is presented for the period of 8 January to 9 February 2002. Shortwave and longwave radiation fluxes were measured directly; the former was corrected for problems associated with the cosine response of the instrument. Sensible and latent heat fluxes were calculated using the bulk method, and eddy-correlation measurements and the modified Bowen ratio method were used to verify these calculated fluxes. The calculated sub-surface heat flux was checked by comparing calculated to measured snow temperatures. Uncertainties in the measurements and energy-balance calculations are discussed. The general meteorological conditions were not extraordinary during the period of the experiment, with a mean 2-m air temperature of −27.5°C, specific humidity of 0.52×10⁻³kg kg⁻¹ and wind speed of 4.1ms⁻¹. The experiment covered the transition period from Antarctic summer (positive net radiation) to winter (negative net radiation), and as a result the period mean net radiation, sensible heat, latent heat and sub-surface heat fluxes were small with values of −1.1, 0.0, −1.0 and 0.7 Wm⁻², respectively. Daily mean net radiation peaked on cloudy days (16 Wm⁻²) and was negative on clear-sky days (minimum of −19 W m⁻²). Daily mean sensible heat flux ranged from −8 to +10 Wm⁻², latent heat flux from −4 to 0 Wm⁻² and sub-surface heat flux from −8 to +7 Wm⁻².     

Predictability of large interannual Arctic sea-ice anomalies

In projections of twenty-first century climate, Arctic sea ice declines and at the same time exhibits strong interannual anomalies. Here, we investigate the potential to predict these strong sea-ice anomalies under a perfect-model assumption, using the Max-Planck-Institute Earth System Model in the same setup as in the Coupled Model Intercomparison Project Phase 5 (CMIP5). We study two cases of strong negative sea-ice anomalies: a 5-year-long anomaly for present-day conditions, and a 10-year-long anomaly for conditions projected for the middle of the twenty-first century. We treat these anomalies in the CMIP5 projections as the truth, and use exactly the same model configuration for predictions of this synthetic truth. We start ensemble predictions at different times during the anomalies, considering lagged-perfect and sea-ice-assimilated initial conditions. We find that the onset and amplitude of the interannual anomalies are not predictable. However, the further deepening of the anomaly can be predicted for typically 1 year lead time if predictions start after the onset but before the maximal amplitude of the anomaly. The magnitude of an extremely low summer sea-ice minimum is hard to predict: the skill of the prediction ensemble is not better than a damped-persistence forecast for lead times of more than a few months, and is not better than a climatology forecast for lead times of two or more years. Predictions of the present-day anomaly are more skillful than predictions of the mid-century anomaly. Predictions using sea-ice-assimilated initial conditions are competitive with those using lagged-perfect initial conditions for lead times of a year or less, but yield degraded skill for longer lead times. The results presented here suggest that there is limited prospect of predicting the large interannual sea-ice anomalies expected to occur throughout the twenty-first century.     

The Effect of Surface Heterogeneity on the Temperature–Humidity Correlation and the Relative Transport Efficiency

We derive a conceptual model of the flow over heterogeneous terrain consisting of patches with contrasting Bowen ratios. Upward moving eddies are assumed to carry heterogeneous properties, whereas downward moving eddies carry homogeneous properties. This results in a decorrelation of temperature and humidity as the contrast between the patches increases. We show that this model is able to reproduce the relationship developed by Lamaud and Irvine (Boundary-Layer Meteorol. 120:87–109, 2006). Some details differ from their expression but are in accordance with data obtained over African savannah. We extend the conceptual model to a combination of any scalars, not necessarily linked through the surface energy balance (as is the case for temperature and humidity). To this end we introduce a new parameter that describes the surface heterogeneity in surface fluxes. The results of the current model can be used to predict the discrepancy between similarity relationships for different scalars over heterogeneous terrain.