A preliminary study of the use of intercooling and reheat in conjunction with regeneration for aircraft turbine engines

The effect on fuel consumption of turbofans with intercooled, regenerative cycles and with intercooled, regenerative, reheat cycles was studied. The technology level for both engine and aircraft was that projected for 1985. The simulated mission was a 5556 km flight carrying 200 passengers at Mach 0.8 at 11582 min. Results indicate that these relatively complex cycles offer little, if any, fuel savings potential relative to a conventional turbofan cycle of comparable advanced technology. The intercooled, regenerative cycle yields about the same fuel economy as a conventional cycle at close to the same overall pressure ratio

Energetics of ion competition in the DEKA selectivity filter of neuronal sodium channels

The energetics of ionic selectivity in the neuronal sodium channels is studied. A simple model constructed for the selectivity filter of the channel is used. The selectivity filter of this channel type contains aspartate (D), glutamate (E), lysine (K), and alanine (A) residues (the DEKA locus). We use Grand Canonical Monte Carlo simulations to compute equilibrium binding selectivity in the selectivity filter and to obtain various terms of the excess chemical potential from a particle insertion procedure based on Widom's method. We show that K$^{+}$ ions in competition with Na$^{+}$ are efficiently excluded from the selectivity filter due to entropic hard sphere exclusion. The dielectric constant of protein has no effect on this selectivity. Ca$^{2+}$ ions, on the other hand, are excluded from the filter due to a free energetic penalty which is enhanced by the low dielectric constant of protein.Comment: 14 pages, 7 figure

Rotorcraft convertible engines for the 1980s

Two rotorcraft studies were executed. The goal was to identify attractive techniques for implementing convertible powerplants for the ABC, Folded Tilt Rotor, and X-wing type high speed, high-L/D rotorcraft; to determine the DOC and fuel savings benefits achieved thereby; and to define research required to bring these powerplants into existence by the 1990's. These studies are reviewed herein and the different methods of approach are pointed out as well as the key findings. Fan shaft engines using variable inlet guide vanes or torque converters, and turboprop powerplants appear attractive. Savings in DOC and fuel consumption of over 15 percent are predicted in some cases as a result of convertible engine use rather than using separate engines for the thrust and the shaft functions. Areas of required research are fan performance (including noise), integrated engine/rotorcraft control, torque converters, turbine design, airflow for rotorcraft torque control, bleed for lift flow, and transmissions and clutches

Cluster-variation approximation for a network-forming lattice-fluid model

We consider a 3-dimensional lattice model of a network-forming fluid, which has been recently investigated by Girardi and coworkers by means of Monte Carlo simulations [J. Chem. Phys. \textbf{126}, 064503 (2007)], with the aim of describing water anomalies. We develop an approximate semi-analytical calculation, based on a cluster-variation technique, which turns out to reproduce almost quantitatively different thermodynamic properties and phase transitions determined by the Monte Carlo method. Nevertheless, our calculation points out the existence of two different phases characterized by long-range orientational order, and of critical transitions between them and to a high-temperature orientationally-disordered phase. Also, the existence of such critical lines allows us to explain certain ``kinks'' in the isotherms and isobars determined by the Monte Carlo analysis. The picture of the phase diagram becomes much more complex and richer, though unfortunately less suitable to describe real water.Comment: 10 pages, 9 figures, submitted to J. Chem. Phy

Charge fluctuations and boundary conditions of biological ion channels:effect on the ionic transition rate

A self-consistent solution is derived for the Poisson-Nernst-Planck (PNP) equation, valid both inside a biological ion channel and in the adjacent bulk fluid. An iterative procedure is used to match the two solutions together at the channel mouth. Charge fluctuations at the mouth are modeled as shot noise flipping the height of the potential barrier at the selectivity site. The resultant estimates of the conductivity of the ion channel are in good agreement with Gramicidin experimental measurements and they reproduce the observed current saturation with increasing concentration

Thermodynamic anomalies in a lattice model of water: Solvation properties

We investigate a lattice-fluid model of water, defined on a 3-dimensional body-centered cubic lattice. Model molecules possess a tetrahedral symmetry, with four equivalent bonding arms. The model is similar to the one proposed by Roberts and Debenedetti [J. Chem. Phys. 105, 658 (1996)], simplified by removing distinction between "donors" and "acceptors". We focus on solvation properties, mainly as far as an ideally inert (hydrophobic) solute is concerned. As in our previous analysis, devoted to neat water [J. Chem. Phys. 121, 11856 (2004)], we make use of a generalized first order approximation on a tetrahedral cluster. We show that the model exhibits quite a coherent picture of water thermodynamics, reproducing qualitatively several anomalous properties observed both in pure water and in solutions of hydrophobic solutes. As far as supercooled liquid water is concerned, the model is consistent with the second critical point scenario.Comment: 12 pages, 9 figures, 1 tabl

Bottom-up derivation of an effective thermostat for united atoms simulations of water

In this article we derive the effective pairwise interactions in a Langevin type united atoms model of water. The interactions are determined from the trajectories of a detailed molecular dynamics simulation of simple point charge water. A standard method is used for estimating the conservative interaction, whereas a new "bottom-up" method is used to determine the effective dissipative and stochastic interactions. We demonstrate that, when compared to the standard united atoms model, the transport properties of the coarse-grained model is significantly improved by the introduction of the derived dissipative and stochastic interactions. The results are compared to a previous study, where a "top-down" approach was used to obtain transport properties consistent with those of the simple point charge water model.Comment: Submitted to J. Chem. Phy