Simulation of Single-Phase Multicomponent Flow Problems in Gas Reservoirs by Eulerian–Lagrangian Techniques

Over the past two decades most discussions of the simulation of miscible displacement in porous media were related to incompressible flow problems; recently, however, attention has shifted to compressible problems. The first goal of this paper is the derivation of the governing equations (mathematical models) for a hierarchy of miscible isothermal displacements in porous media, starting from a very general single-phase, multicomponent, compressible flow problem; these models are then compared with previously proposed models. Next, we formulate an extension of the modified method of characteristics with adjusted advection to treat the transport and dispersion of the components of the miscible fluid; the fluid displacement must be coupled in a two-stage operator-splitting procedure with a pressure equation to define the Darcy velocity field required for transport and dispersion, with the outer stage incorporating an implicit solution of the nonlinear parabolic pressure equation and an inner stage for transport and diffussion in which the mass fraction equations are solved sequentially by first applying a globally conservative Eulerian–Lagrangian scheme to solve for transport, followed by a standard implicit procedure for including the diffusive effects. The third objective is a careful investigation of the underlying physics in compressible displacements in porous media through several high resolution numerical experiments. We consider real binary gas mixtures, with realistic thermodynamic correlations, in homogeneous and heterogeneous formations.     

Convergence of ‖π approximations to the strict approximation in R n

Suppose V is a subspace of R ⁿ and assume that ‖_∞-norm is obtained as a suitable limit of convex functions {π _m }. Let x _m be a best π _m -approximation to x by elements of V. We prove that the sequence x _m converges to the strict best approximation of x. As a crollary we obtain convergence of the best ‖_πm -approximation.     

Multiobjective vehicle routing problem with fixed delivery and optional collections

We present an adaption on the formulation for the vehicle routing problem with fixed delivery and optional collections, in which the simultaneous minimization of route costs and of collection demands not fulfilled is considered. We also propose a multiobjective version of the iterated local search (MOILS). The performance of the MOILS is compared with the $\epsilon $ -constrained ( $P_{\epsilon }$ ) ILS, the NSGA-II and the indicator-based multi-objective local search methods in the solution of 14 problem instances containing between 50 and 199 customers plus the depot. The results indicate that the MOILS outperformed the other approaches, obtaining significantly better average values for coverage, hypervolume and cardinality.     

Activity coefficients of KCl in PEG 4000 + water mixtures at 288.15, 298.15 and 308.15 K

The electromotive force of the cell containing two ion-selective electrodes (ISE), K-ISE|KCl(m), PEG 4000(Y), H₂O(100 − Y)|Cl-ISE has been measured at temperatures of 288.15, 298.15, and 308.15 K as a function of the weight percentage Y of PEG 4000 in a mixed solvent. Y was varied between 0 and 25 wt.% in five-unit steps and the molality of the electrolyte (m) was between ca. 0.05 mol kg⁻¹ and almost saturation. The values of the standard electromotive force were calculated using routine methods of extrapolation together with extended Debye-Hückel and Pitzer equations. The results obtained produced good internal consistency for all the temperatures studied. Once the standard electromotive force was determined, mean ionic activity coefficients for KCl, Gibbs energy of transfer from the water to PEG 4000 + water mixtures, interaction parameters (g_EN, h_EN, s_EN, c_p,EN), salting constants, and the KCl primary hydration number were estimated and comparatively discussed in terms of a model of structural and electrostatic interactions with those of the LiCl and NaCl previously obtained in similar mixtures.     

Analysis of exemestane and 17β-hydroxyexemestane in human urine by gas chromatography/mass spectrometry: development and validation of a method using MO-TMS derivatives

Trimethylsilylation of anabolic agents and their metabolites is frequently achieved by using the derivatization mixture N-methyl-N-(trimethylsilyl)trifluoroacetamide (MSTFA)/NH(4)I/2-mercaptoethanol. Nevertheless, artifacts were formed when this mixture was employed in the monitoring of exemestane and its main metabolite 17β-hydroxyexemestane prior to GC-MS analysis. These artifacts were identified as the N-methyltrifluoroacetamide (MTFA) and trimethylsiloxyethylmercapto products of the respective trimethylsilyl (TMS) derivatives. Furthermore, artifact formation was evaluated taking the structure (1,4-diene-3-keto-6-exomethylene) of the compounds into account. Although these artifacts are relevant for investigations regarding the derivatization process and may be of interest in many fields, they are detrimental to cope with the requirements of the World Anti-Doping Agency (WADA) in terms of the limits of detection (LODs) required. To overcome this issue, a method using an alternative derivatization was proposed: formation of methyloxime-TMS derivatives through double derivatization using O-methylhydroxylamine/pyridine and MSTFA/TMS imidazole after enzymatic hydrolysis and liquid-liquid extraction. Samples from an excretion study after administration of exemestane to healthy volunteers were analyzed by the proposed method and detection of both exemestane and its main metabolite was possible. This method showed excellent results for both analytes meeting the LODs required for antiestrogenic agents (50 ng/mL) established by WADA. The method was validated for the main metabolite, it was robust and cost-effective for qualitative and quantitative purposes, with LOD and LOQ of 10 ng/mL and 25 ng/mL, respectively.     

Amplification of chirality in N,N'-1,2-ethanediylbisbenzamides: from planar sheets to twisted ribbons

A remarkable sergeants-and-soldiers effect is observed in the coassembly of N,N'-1,2-ethanediylbisbenzamides onto surfaces that experience an amplification of chirality able to transform flat lamellae into twisted ribbons.     

Exotic Quantifiers, Complexity Classes, and Complete Problems

We define new complexity classes in the Blum–Shub–Smale theory of computation over the reals, in the spirit of the polynomial hierarchy, with the help of infinitesimal and generic quantifiers. Basic topological properties of semialgebraic sets like boundedness, closedness, compactness, as well as the continuity of semialgebraic functions are shown to be complete in these new classes. All attempts to classify the complexity of these problems in terms of the previously studied complexity classes have failed. We also obtain completeness results in the Turing model for the corresponding discrete problems. In this setting, it turns out that infinitesimal and generic quantifiers can be eliminated, so that the relevant complexity classes can be described in terms of the usual quantifiers only.      

The structure of ammonium pyrazolates in the solid state

The crystals obtained by mixing equimolar amounts of diethyl 1H-pyrazole-3,5-dicarboxylate and the primary amines phenethylamine and homoveratrylamine are ammonium pyrazolate salts as determined by 13C and 15N CPMAS NMR.