scholarly journals Ergodic Algorithmic Model (EAM), with Water as Implicit Solvent, in Chemical, Biochemical, and Biological Processes

Thermo ◽  
2021 ◽  
Vol 1 (3) ◽  
pp. 361-375
Author(s):  
Emilia Fisicaro ◽  
Carlotta Compari ◽  
Antonio Braibanti
Keyword(s):  
Thermodynamic Properties ◽  
Experimental Approach ◽  
Hydrophobic Hydration ◽  
Linear Functions ◽  
Implicit Solvent ◽  
Hydration Reaction ◽  
Biological Processes ◽  
Explicit Solvent ◽  
Algorithmic Model

For many years, we have devoted our research to the study of the thermodynamic properties of hydrophobic hydration processes in water, and we have proposed the Ergodic Algorithmic Model (EAM) for maintaining the thermodynamic properties of any hydrophobic hydration reaction at a constant pressure from the experimental determination of an equilibrium constant (or other potential functions) as a function of temperature. The model has been successfully validated by the statistical analysis of the information elements provided by the EAM model for about fifty compounds. The binding functions are convoluted functions, RlnKeq = {f(1/T)* g(T)} and RTlnKeq = {f(T)* g(lnT)}, where the primary linear functions f(1/T) and f(T) are modified and transformed into parabolic curves by the secondary functions g(T) and g(lnT), respectively. Convoluted functions are consistent with biphasic dual-structure partition function, {DS-PF} = {M-PF} ∙ {T-PF} ∙ {ζw}, composed by ({M-PF} (Density Entropy), {T-PF}) (Intensity Entropy), and {ζw} (implicit solvent). In the present paper, after recalling the essential aspects of the model, we outline the importance of considering the solvent as “implicit” in chemical and biochemical reactions. Moreover, we compare the information obtained by computer simulations using the models till now proposed with “explicit” solvent, showing the mess of information lost without considering the experimental approach of the EAM model.

Models of Thermodynamic Properties of Prominences

1979 ◽  
Vol 44 ◽  
pp. 349-355
Author(s):  
R.W. Milkey
Keyword(s):  
Thermodynamic Properties ◽  
Mass Transport ◽  
Emission Spectrum ◽  
Thermodynamic Parameters ◽  
Working Group ◽  
Physical Processes ◽  
Theoretical Concepts ◽  
Group 3 ◽  
Observational Techniques

The focus of discussion in Working Group 3 was on the Thermodynamic Properties as determined spectroscopically, including the observational techniques and the theoretical modeling of physical processes responsible for the emission spectrum. Recent advances in observational techniques and theoretical concepts make this discussion particularly timely. It is wise to remember that the determination of thermodynamic parameters is not an end in itself and that these are interesting chiefly for what they can tell us about the energetics and mass transport in prominences.

Experimental Determination of the Effective Resolution Limit in Thick Specimens at High Voltages

1975 ◽  
Vol 33 ◽  
pp. 664-665
Author(s):  
Mircea Fotino
Keyword(s):  
Experimental Approach ◽  
Chromatic Aberration ◽  
Resolving Power ◽  
Biological Research ◽  
Specimen Thickness ◽  
Resolution Limit ◽  
High Voltage Electron Microscopy ◽  
Voltage Electron ◽  
Resolution Level

The use of thick specimens (0.5 μm to 5.0 μm or more) is one of the most resourceful applications of high-voltage electron microscopy in biological research. However, the energy loss experienced by the electron beam in the specimen results in chromatic aberration and thus in a deterioration of the effective resolving power. This sets a limit to the maximum usable specimen thickness when investigating structures requiring a certain resolution level.An experimental approach is here described in which the deterioration of the resolving power as a function of specimen thickness is determined. In a manner similar to the Rayleigh criterion in which two image points are considered resolved at the resolution limit when their profiles overlap such that the minimum of one coincides with the maximum of the other, the resolution attainable in thick sections can be measured by the distance from minimum to maximum (or, equivalently, from 10% to 90% maximum) of the broadened profile of a well-defined step-like object placed on the specimen.

Reynolds-averaged Navier–Stokes simulation of hydrofoil effects on hydrodynamic coefficients of a catamaran in forced oscillation

2016 ◽  
Vol 231 (2) ◽  
pp. 364-383
Author(s):  
Amin Najafi ◽  
Mohammad Saeed Seif
Keyword(s):  
High Speed ◽  
Experimental Approach ◽  
Navier Stokes ◽  
Hydrodynamic Coefficients ◽  
Laboratory Equipment ◽  
Factors Affecting ◽  
High Frequencies ◽  
Frequency Independent ◽  
Reynolds Averaged Navier Stokes

Determination of high-speed crafts’ hydrodynamic coefficients will help to analyze the dynamics of these kinds of vessels and the factors affecting their dynamic stabilities. Also, it can be useful and effective in controlling the vessel instabilities. The main purpose of this study is to determine the coefficients of longitudinal motions of a planing catamaran with and without a hydrofoil using Reynolds-averaged Navier–Stokes method to evaluate the foil effects on them. Determination of hydrodynamic coefficients by experimental approach is costly and requires meticulous laboratory equipment; therefore, utilizing the numerical methods and developing a virtual laboratory seem highly efficient. In this study, the numerical results for hydrodynamic coefficients of a high-speed craft are verified against Troesch’s experimental results. In the following, after determination of hydrodynamic coefficients of a planing catamaran with and without foil, the foil effects on its hydrodynamic coefficients are evaluated. The results indicate that most of the coefficients are frequency-independent especially at high frequencies.

scholarly journals IV. On the dynamical theory of incompressible viscous fluids and the determination of the criterion

1895 ◽  
Vol 186 ◽  
pp. 123-164 ◽  
Keyword(s):  
Singular Solution ◽  
Physical State ◽  
Theoretical Calculations ◽  
Equations Of Motion ◽  
Dynamical Theory ◽  
Viscous Fluids ◽  
Linear Functions ◽  
Incompressible Viscous Fluids ◽  
Theoretical Results

1. The equations of motion of viscous fluid (obtained by grafting on certain terms to the abstract equations of the Eulerian form so as to adapt these equations to the case of fluids subject to stresses depending in some hypothetical manner on the rates of distortion, which equations Navier seems to have first introduced in 1822, and which were much studied by Cauchy and Poisson) were finally shown by St. Venant and Sir Gabriel Stokes, in 1845, to involve no other assumption than that the stresses, other than that of pressure uniform in all directions, are linear functions of the rates of distortion, with a co-efficient depending on the physical state of the fluid. By obtaining a singular solution of these equations as applied to the case of pendulums in steady periodic motion, Sir G. Stokes was able to compare the theoretical results with the numerous experiments that had been recorded, with the result that the theoretical calculations agreed so closely with the experimental determinations as seemingly to prove the truth of the assumption involved. This was also the result of comparing the flow of water through uniform tubes with the flow calculated from a singular solution of the equations so long as the tubes were small and the velocities slow. On the other hand, these results, both theoretical and practical, were directly at variance with common experience as to the resistance encountered by larger bodies moving with higher velocities through water, or by water moving with greater velocities through larger tubes. This discrepancy Sir G. Stokes considered as probably resulting from eddies which rendered the actual motion other than that to which the singular solution referred and not as disproving the assumption.

scholarly journals Mathematical modeling and determination of thermodynamic properties of jabuticaba peel during the drying process

2016 ◽  
Vol 20 (6) ◽  
pp. 576-580 ◽  
Author(s):  
Cristian F. Costa ◽  
Paulo C. Corrêa ◽  
Jaime D. B. Vanegas ◽  
Fernanda M. Baptestini ◽  
Renata C. Campos ◽  
...  
Keyword(s):  
Experimental Data ◽  
Thermodynamic Properties ◽  
Drying Process ◽  
Drying Temperature ◽  
Air Temperatures ◽  
Nutritional Qualities ◽  
Forced Air ◽  
Air Circulation ◽  
Best Fit

ABSTRACT Jabuticaba is a fruit native of Brazil and, besides containing many nutritional qualities, it also has a good field for use in products such as flour for cakes and biscuits, juice, liqueur, jelly and others. This study aimed to model the drying kinetics and determine the thermodynamic properties of jabuticaba peel at different drying air temperatures. Ripe fruits of jabuticaba (Myrciaria jaboticaba) were collected and pulped manually. Drying was carried out in a forced-air circulation oven with a flow of 5.6 m s-1 at temperatures of 40, 50, 60 and 70 °C. Six mathematical models commonly used to represent the drying process of agricultural products were fitted to the experimental data. The Arrhenius model was used to represent the drying constant as a function of temperature. The Midilli model showed the best fit to the experimental data of drying. The drying constant increased with the increment in drying temperature and promoted an activation energy of 37.29 kJ mol-1. Enthalpy and Gibbs free energy decreased with the increase in drying temperature, while entropy decreased and was negative.

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