Tautomerism and microsolvation in 2-hydroxypyridine/2-pyridone

The Fourier transform microwave spectra of the hydrated forms of the tautomeric pair 2-pyridinone/2-hydroxypyridine (2PO/2HP) have been investigated in a supersonic expansion. Three hydrated species, 2PO-H?O, 2HP-H?O, and 2PO-(H?O)?, have been observed in the rotational spectrum. Each molecular complex was confidently identified by the features of the 1?N quadrupole hyperfine structure of the rotational transitions. The presence of water affects the tautomeric equilibrium -N═C(OH)- ? -NH-C(═O)-, which is shifted to the enol form for the bare molecules 2PO/2HP but to the keto tautomer for the hydrated forms.     

General correlation model for some physical properties of saturated pure fluids

In this work, we use a general expression to accurately correlate the liquid density, the vaporization enthalpy, the surface tension, and the isobaric heat capacity of a saturated liquid versus temperature along the whole coexistence curve. The general expression used is the same for the four thermodynamic properties, and uses both critical and triple point values as reference. As representative examples of the use of the model, results are given for a set of 22 pure substances. We find that this general expression correlates the data with smaller or similar overall deviations when compared with other published models whose number of coefficients are the same or greater.     

Approximation of the inductionless MHD problem using a stabilized finite element method

In this work, we present a stabilized formulation to solve the inductionless magnetohydrodynamic (MHD) problem using the finite element (FE) method. The MHD problem couples the Navier–Stokes equations and a Darcy-type system for the electric potential via Lorentz’s force in the momentum equation of the Navier–Stokes equations and the currents generated by the moving fluid in Ohm’s law. The key feature of the FE formulation resides in the design of the stabilization terms, which serve several purposes. First, the formulation is suitable for convection dominated flows. Second, there is no need to use interpolation spaces constrained to a compatibility condition in both sub-problems and therefore, equal-order interpolation spaces can be used for all the unknowns. Finally, this formulation leads to a coupled linear system; this monolithic approach is effective, since the coupling can be dealt by effective preconditioning and iterative solvers that allows to deal with high Hartmann numbers.     

Finite element approximation of nematic liquid crystal flows using a saddle-point structure

In this work, we propose finite element schemes for the numerical approximation of nematic liquid crystal flows, based on a saddle-point formulation of the director vector sub-problem. It introduces a Lagrange multiplier that allows to enforce the sphere condition. In this setting, we can consider the limit problem (without penalty) and the penalized problem (using a Ginzburg–Landau penalty function) in a unified way. Further, the resulting schemes have a stable behavior with respect to the value of the penalty parameter, a key difference with respect to the existing schemes. Two different methods have been considered for the time integration. First, we have considered an implicit algorithm that is unconditionally stable and energy preserving. The linearization of the problem at every time step value can be performed using a quasi-Newton method that allows to decouple fluid velocity and director vector computations for every tangent problem. Then, we have designed a linear semi-implicit algorithm (i.e. it does not involve nonlinear iterations) and proved that it is unconditionally stable, verifying a discrete energy inequality. Finally, some numerical simulations are provided.     

Isometries on and monotone functions

We study necessary and sufficient conditions on a bounded operator T defined on the Hilbert space to be an isometry and show that, under suitable hypotheses, it suffices to restrict T to a smaller class of functions (e.g., if , to the cone of positive and decreasing functions). We also consider the problem of characterizing the sets for which the orthogonal projection of the operator T on is also an isometry. Finally, we illustrate our results with several examples involving classical operators on different settings.     

On monomial curves obtained by gluing

We study arithmetic properties of tangent cones associated to large families of monomial curves obtained by gluing. In particular, we characterize their Cohen-Macaulay and Gorenstein properties and prove that they have non-decreasing Hilbert functions. The results come from a careful analysis of some special Apéry sets of the numerical semigroups obtained by gluing under a condition that we call specific gluing. As a consequence, we complete and extend the results proved by Arslan et al. (in Proc. Am. Math. Soc. 137:2225–2232, 2009) about nice gluings by using different techniques. Our results also allow to prove that for a given numerical semigroup with a non-decreasing Hilbert function and an integer q>1, all extensions of it by q, except a finite number, have non-decreasing Hibert functions.     

Market frictions and corporate finance: an overview paper

We present an overview of corporate-finance models where firms are subject to exogenous market frictions. These models, albeit quite simple, yield reasonable predictions regarding financing, pay-outs and default, as well as asset-pricing implications. The price to pay for the said simplicity is the need to use non-standard mathematical techniques, namely singular and impulse stochastic control. We explore the cases where a firm with fixed expected profitability has access to costly equity issuance as a refinancing possibility, and that where issuance is infinitely costly. We also present a model of bank leverage.