Thermodynamic Functions Molecular Polarizability of 2,6-dichloro-4-fluoro Phenol

2015 ◽  
Vol 7 (2) ◽  
pp. 1448-1456
Author(s):  
Dr. Surbhi Malik ◽  
D.P. Singh ◽  
Sarvindra Kumar
Keyword(s):  
Thermodynamic Functions ◽  
Delta Function ◽  
Molecular Polarizability ◽  
Function Model ◽  
Chemical Binding ◽  
One Dimensional ◽  
Laser Raman ◽  
Ft Ir ◽  
The One ◽  
Semi Empirical

The Laser-Raman and FT-IR spectra of 2,6-dichloro-4-fluoro phenol (2,6,4-DCFP) have been recorded. The thermodynamic functions, namely, the enthalpy, the heat capacity, the free energy and entropy of 2,6,4-DCFP have been calculated at a pressure of 1 atmosphere in the temperature range 200-1500 K under rigid rotorharmonic oscillator. The one-dimensional semi-empirical delta-function model of chemical binding has been used to evaluate the average molecular polarizability of 2,6,4-DCFP.

scholarly journals Numerical Simulation and Experimental Validation of an Oil Free Scroll Compressor

Energies ◽  
2020 ◽  
Vol 13 (22) ◽  
pp. 5863
Author(s):  
Massimo Cardone ◽  
Bonaventura Gargiulo
Keyword(s):  
Experimental Data ◽  
Experimental Validation ◽  
Test Bench ◽  
Outlet Temperature ◽  
Analysis Software ◽  
Scroll Compressor ◽  
One Dimensional ◽  
Geometrical Features ◽  
The One ◽  
Semi Empirical

This paper presents a virtual model of a scroll compressor developed on the one-dimensional analysis software Simcenter Amesim®. The model is semi-empirical: it needs some physical details of the modelled machine (e.g., the cubic capacity), but, on the other hand, it does not require the geometrical features of the spirals, so it needs experimental data to calibrate it. The model also requires rotational speed and the outlet temperature as boundary conditions. The model predicts the power consumption and the mass flow rate and considers leakages and mechanical losses. After the model presentation, this paper describes the test bench and the obtained data used to calibrate and validate the model. At last, the calibration process is described, and the results are discussed. The calculated values fit the experimental data also in extrapolation, despite the model is simple and performs calculations within 7 s. Due to these characteristics, the model is suitable for being used in a larger model as a sub-component.

Stability of Coupled-Core Nuclear Reactors: Selected Exact Results

1967 ◽  
Vol 89 (2) ◽  
pp. 283-286
Author(s):  
S. J. Gage ◽  
F. T. Adler
Keyword(s):  
Time Distribution ◽  
Nuclear Reactors ◽  
Delta Function ◽  
Step Function ◽  
Single Step ◽  
Exact Results ◽  
Stability Criteria ◽  
Function Model ◽  
Analytical Stability ◽  
The One

Exact analytical stability criteria are derived for the coupled-core kinetics equations. Four approximate models for describing the time distribution of the coupling neutrons are considered and a theorem proved by Pontryagin is used to establish the asymptotic stability of the systems. The criterion based on the Single Delta Function Model is compared with the one based on the Single Step Function Model.

scholarly journals Variational approach to the Schrödinger equation with a delta-function potential

2021 ◽  
Author(s):  
Francisco Marcelo Fernandez
Keyword(s):  
Variational Method ◽  
Delta Function ◽  
Basis Set ◽  
One Dimensional ◽  
Dirac Delta ◽  
Introductory Course ◽  
Relevant Role ◽  
Secular Equations ◽  
The One ◽  
Computer Algebra Software

Abstract We obtain accurate eigenvalues of the one-dimensional Schr\"{o}dinger equation with a Hamiltonian of the form $H_{g}=H+g\delta (x)$, where $\delta (x)$ is the Dirac delta function. We show that the well known Rayleigh-Ritz variational method is a suitable approach provided that the basis set takes into account the effect of the Dirac delta on the wavefunction. Present analysis may be suitable for an introductory course on quantum mechanics to illustrate the application of the Rayleigh-Ritz variational method to a problem where the boundary conditions play a relevant role and have to be introduced carefully into the trial function. Besides, the examples are suitable for motivating the students to resort to any computer-algebra software in order to calculate the required integrals and solve the secular equations.

One- and two-dimensional CdIIcoordination polymers incorporating organophosphinate ligands

2014 ◽  
Vol 70 (11) ◽  
pp. 1069-1074 ◽  
Author(s):  
Jeffrey A. Rood ◽  
Steven Boyer ◽  
Allen G. Oliver
Keyword(s):  
Three Dimensional ◽  
Dimensional Structure ◽  
Cadmium Nitrate ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
One Dimensional ◽  
Phenyl Rings ◽  
Ft Ir ◽  
Ir Analysis ◽  
The One

Reaction of cadmium nitrate with diphenylphosphinic acid in dimethylformamide solvent yielded the one-dimensional coordination polymercatena-poly[[bis(dimethylformamide-κO)cadmium(II)]-bis(μ-diphenylphosphinato-κ2O:O′)], [Cd(C12H10O2P)2(C3H7NO)2]n, (I). Addition of 4,4′-bipyridine to the synthesis afforded a two-dimensional extended structure, poly[[(μ-4,4′-bipyridine-κ2N:N′)bis(μ-diphenylphosphinato-κ2O:O′)cadmium(II)] dimethylformamide monosolvate], {[Cd(C12H10O2P)2(C10H8N2)]·C3H7NO}n, (II). In (II), the 4,4′-bipyridine molecules link the CdIIcenters in the crystallographicadirection, while the phosphinate ligands link the CdIIcenters in the crystallographicbdirection to complete a two-dimensional sheet structure. Consideration of additional π–π interactions of the phenyl rings in (II) produces a three-dimensional structure with channels that encapsulate dimethylformamide molecules as solvent of crystallization. Both compounds were characterized by single-crystal X-ray diffraction and FT–IR analysis.

scholarly journals Simulations of autonomous fluid pulses between active elastic walls using the 1D-IRBFN method

2018 ◽  
Vol 13 (5) ◽  
pp. 47 ◽  
Author(s):  
Fatima Z. Ahmed ◽  
Mayada G. Mohammed ◽  
Dmitry V. Strunin ◽  
Duc Ngo-Cong
Keyword(s):  
Numerical Solutions ◽  
Initial Conditions ◽  
Radial Basis Function Network ◽  
Active Motion ◽  
One Dimensional ◽  
Pulse Trains ◽  
The One ◽  
Semi Empirical ◽  
Function Network ◽  
Elastic Walls

We present numerical solutions of the semi-empirical model of self-propagating fluid pulses (auto-pulses) through the channel simulating an artificial artery. The key mechanism behind the model is the active motion of the walls in line with the earlier model of Roberts. Our model is autonomous, nonlinear and is based on the partial differential equation describing the displacement of the wall in time and along the channel. A theoretical plane configuration is adopted for the walls at rest. For solving the equation we used the One-dimensional Integrated Radial Basis Function Network (1D-IRBFN) method. We demonstrated that different initial conditions always lead to the settling of pulse trains where an individual pulse has certain speed and amplitude controlled by the governing equation. A variety of pulse solutions is obtained using homogeneous and periodic boundary conditions. The dynamics of one, two, and three pulses per period are explored. The fluid mass flux due to the pulses is calculated.

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