Search results for "THERMODYNAMICS"
showing 10 items of 2774 documents
Investigation of flow and heat transfer in corrugated passages—I. Experimental results
1996
Abstract An experimental and numerical study of flow and heat transfer was conducted for a crossed-corrugated geometry, representative of compact heat exchangers including air preheaters for fossil-fuelled power plant. In this paper, we describe the method of applying thermochromic liquid crystals and true-colour image processing to give local Nusselt number distribution over the surface, and average Nu, both of quantitative reliability; a careful uncertainty analysis is also presented. Typical experimental results for heat transfer and pressure drop are presented and discussed for various geometries and Reynolds numbers, and are compared with literature data. Numerical predictions are disc…
Study on heat transfer coefficients during cooling of PET bottles for food beverages
2015
The heat transfer properties of different cooling systems dealing with Poly-Ethylene-Terephthalate (PET) bottles were investigated. The heat transfer coefficient (Ug) was measured in various fluid dynamic conditions. Cooling media were either air or water. It was shown that heat transfer coefficients are strongly affected by fluid dynamics conditions, and range from 10 W/m2 K to nearly 400 W/m2 K. PET bottle thickness effect on Ug was shown to become relevant under faster fluid dynamics regimes.
Viscosity Arrhenius parameters correlation: extension from pure to binary fluid mixtures
2015
Knowledge of fluids’ physicochemical properties is mandatory for the design and optimisation of industrial processes and products. A data quantity of most importance, in this regard, turns out to be the value of fluid viscosity. Many empirical and semi-empirical formulas have been proposed in the literature to describe the viscosity of pure liquids and binary liquid mixtures. Recently, an interesting equation is proposed for pure solvents correlating the two parameters in the viscosity Arrhenius-type equation, namely the activation energy (Ea) and the pre-exponential factor (As). This paper aims to extend the said correlation to binary liquid mixtures. To achieve this purpose, statistical m…
Oxygen-carrying v. non-oxygen-carrying colloidal blood substitutes in schock
1982
Loss of more than 10-15 per cent of the circulating blood causes a corresponding fall in filling pressure and a marked reduction in minute volume. In order to combat a fall in the minute volume, catecholamines are liberated, the stimulating components of these cause a rise in vessel tone. In spite of the blood volume being reduced by blood loss, filling pressure and minute volume are restored by compensating mechanisms as long as the volume lost is not enough to exceed the autoregulative capacity. Even with a blood loss of 10-15 per cent, full compensation is not achieved without replenishing the blood volume unless the fluid lost from the vascular bed is less than I0 per cent of the total.…
All-or-none proteinlike folding transition of a flexible homopolymer chain.
2009
Here we report a first-order all-or-none transition from an expanded coil to a compact crystallite for a flexible polymer chain. Wang-Landau sampling is used to construct the complete density of states for square-well chains up to length 256. Analysis within both the microcanonical and canonical ensembles shows a direct freezing transition for finite length chains with sufficiently short-range interactions. This type of transition is a distinctive feature of "one-step" protein folding and our findings demonstrate that a simple homopolymer model can exhibit protein-folding thermodynamics.
Analytic CCSD(T) second derivatives
1997
A general-purpose implementation of analytic CCSD(T) second derivatives is presented. Its applicability is demonstrated by calculations of vibration-rotation interaction constants for the astrophysically important molecule cyclopropenylidene (C3H2) in which the required cubic force constants have been determined by numerical differentiation of analytically evaluated second derivatives of the energy.
A raman spectroscopic determination of the interlamellar forces in crystalline n-alkanes and of the limiting elastic modulus Ec of polyethylene
1976
A simple treatment based on continuum mechanics shows that weak interlamellar forces in crystalline n-alkanes should result in a characteristic upward shift of the frequencies of the longitudinal acoustical (LA) modes, which is independent of the chain length and decreases inversely with the mode order. A raman spectroscopic determination of the LA mode frequencies of a series of different n-alkanes confirms the theoretical conclusion and permits a derivation of a force constant characteristic of the interlamellar forces. The discussion results in a new formula valid for the LA mode frequencies of the orthorhombic n-alkanes in the acoustical limit and yields a new determination of the limit…
On parameterizing thermodynamic descriptions of minerals for petrological calculations
2014
A new regularization approach, termed micro-ϕ, is outlined for parameterizing activity–composition (a–x) relations and other aspects of the thermodynamic descriptions of minerals for petrological calculations. In the context of the symmetric formalism, a formulation of a–x relations that is easily generalizable to multi-component minerals, parameterization with micro-ϕ extends from where there are good data available to constrain, for example, interaction energies, to where there are little or no data. This involves decomposing the interaction energies, which are macroscopic between end-members, into their microscopic components involving interactions between elements on sites. Micro-ϕ invo…
Estimation of formamide harmonic and anharmonic modes in the Kohn-Sham limit using the polarization consistent basis sets.
2010
Formamide harmonic and anharmonic frequencies of fundamental vibrations in the gas phase and in several solvents were successfully estimated in the B3LYP Kohn-Sham complete basis set limit (KS CBS). CBS results were obtained by extrapolating a power function (two-parameter formula) to the results calculated with polarization-consistent basis sets. Anharmonic corrections using the second order perturbation treatment (PT2) and hybrid B3LYP functional combined with polarization consistent pc-n (n = 0, 1, 2, 3, 4) and several Pople’s basis sets were analyzed for all fundamental formamide vibrational modes in the gas phase and solution. Solvent effects were modeled within a PCM method. The anhar…
The mechanism of formamide hydrolysis in water from ab initio calculations and simulations.
2005
The neutral hydrolysis of formamide in water is a suitable reference to quantify the efficiency of proteolytic enzymes. However, experimental data for this reaction has only very recently been obtained and the kinetic constant determined experimentally is significantly higher than that predicted by previous theoretical estimations. In this work, we have investigated in detail the possible mechanisms of this reaction. Several solvent models have been considered that represent a considerable improvement on those used in previous studies. Density functional and ab initio calculations have been carried out on a system which explicitly includes the first solvation shell of the formamide molecule…