A mass-conservative switching algorithm for modeling fluid flow in variably saturated porous media

Numerical solutions of flow equation in fluid content-based form or in fluid pressure head-based form are often tradeoffs between speed, accuracy, and convenience. The fluid-content based form can be solved quite rapidly with low CPU time and perfect mass balance. However, it cannot be used in saturated regions (as diffusivity function becomes infinite) and strictly becomes invalid in composite, layered, and real heterogeneous porous materials, due to singularity and discontinuity in fluid content profile. This formulation also gives misleading impression that gradient in fluid content causes the flow of fluid in porous materials, where in reality gravity and fluid pressure potential gradient produce the motion. The pressure head-based form, on the other hand, is more flexible but due to its highly nonlinear nature is much more time-consuming and produces poor global mass balance for dry initial conditions. Very fine spatial and temporal discretizations are needed to maintain mass balance property for these scenarios. The mixed form of the flow equation partially solves these issues as it maintains acceptable mass balance and is applicable to layered, heterogeneous, and composite fractured foundations. However, it is only applicable in unsaturated zones. In this study, a switching algorithm was proposed and implemented in which the mass conservative mixed form and the pressure head-based form were, respectively, used in the unsaturated and saturated zones of an initial-boundary value flow problem involving a variably saturated porous medium. The algorithm showed excellent agreement with a reference solution, obtained on a very fine spatiotemporal mesh. The simulator was then calibrated with several real-world large-scale experimental datasets. In all cases, the proposed algorithm exhibited close agreements with the experimental time–space series. The algorithm poses excellent mass balance property and can easily be used in both saturated and unsaturated regions without special treatment of fluid content discontinuities in heterogeneous and layered porous media. The proposed algorithm can also be extended to simulate multiphase and multidimensional flow problems.     

Rigid tetranitroresorcinarenes

[reaction: see text]. o-alkylation of C2V-symmetrical resorcinarene tetraesters 2 with 2 equiv of 1,3-difluoro-4,6-dinitrobenzene readily affords conformationally rigid octanitro resorcinarene 3, which is a potential scaffold for the design of supramolecular structures.     

Amino Acid Derivatives,VII [1]: Synthesis and Antiviral Evaluation of α-Amino Acid Esters Bearing an Indazole Side Chain

Summary. A series of peptide and dipeptide derivatives conjugated with an indazole residue were synthesized. The new compounds were evaluated in vitro for cytotoxicity against Hepatitis-A virus (HAV-27), Herpes Simplex virus-1 (HSV-1), and Hepatitis-B virus (HBV) and showed moderate to high activity.     

Equilibrium and hydrolysis ofα-amino acid esters in ternary complexes of copper(II) involving glycyl-L-tyrosine

Summary Binary and ternary complexes of copper(II) with glycyl-L-tyrosine and an amino acid ester were investigated by potentiometric and spectrophotometric techniques. The kinetics of base hydrolysis of the above esters in the presence of copper(II)-glycyl-L-tyrosine complex was studied at 30°C.     

Time delay matrix at the spectrum edge and the minimal chaotic cavities

Self-interstitial interactions causing volume expansion in bcc Fe are studied through an idealized microstructure evolution model in which only self-interstial atoms (SIAs) are inserted. Using a combination of non-equilibrium molecular dynamics simulations and a metadynamics algorithm, meta-stable SIA clusters are observed to nucleate and grow into dislocation loops or localized amorphous phases, both contributing to swelling behavior persisting well beyond the atomistic time scale. A non-monotonic local density variation with dose rate is found and attributed to competing evolutions of different defective structures.     

Synthesis, characterization and properties of novel thermally stable poly(urethane-oxazolidone) elastomers

Oxazolidone-incorporated polyurethane elastomers based on hydroxyl terminated polycaprolactone, were synthesized and characterized. Reaction of epoxy-terminated polyurethane with isocyanate librated from a blocked polyisocyanate was the strategy followed. The reaction condition was optimized through preparation of model oxazolidones. Epoxy-terminated polyurethanes were prepared from reaction of glycidol with NCO-terminated polyurethane prepolymers and curing agent was synthesized from the reaction of trimethylol propane, toluene diisocyanate and N-methyl-aniline. Incorporation of heterocyclic oxazolidone groups into the polyurethane backbone caused improvements in thermal and mechanical properties. Investigation of structure-property relationship for prepared elastomers showed that the main determining factors for observed properties were crosslink density, crystallinity and content of oxazolidone rings.     

Generating Multidirectional Variable Hidden Attractors via Newly Commensurate and Incommensurate Non-Equilibrium Fractional-Order Chaotic Systems

This article investigates a non-equilibrium chaotic system in view of commensurate and incommensurate fractional orders and with only one signum function. By varying some values of the fractional-order derivative together with some parameter values of the proposed system, different dynamical behaviors of the system are explored and discussed via several numerical simulations. This system displays complex hidden dynamics such as inversion property, chaotic bursting oscillation, multistabilty, and coexisting attractors. Besides, by means of adapting certain controlled constants, it is shown that this system possesses a three-variable offset boosting system. In conformity with the performed simulations, it also turns out that the resultant hidden attractors can be distributively ordered in a grid of three dimensions, a lattice of two dimensions, a line of one dimension, and even arbitrariness in the phase space. Through considering the Caputo fractional-order operator in all performed simulations, phase portraits in two- and three-dimensional projections, Lyapunov exponents, and the bifurcation diagrams are numerically reported in this work as beneficial exit results.