scholarly journals Vibrational Frequencies of Dichlorine Monoxide: A Mathematical Model

2021 ◽  
Vol 37 (1) ◽  
pp. 240-242
Author(s):  
N. Srinivas ◽  
J. Vijayasekhar
Keyword(s):  
Mathematical Model ◽  
Algebraic Model ◽  
Vibrational Frequencies ◽  
Triatomic Molecule ◽  
Experimental Values ◽  
Dichlorine Monoxide ◽  
Vibrational Wavenumbers

Determinedstretching vibrational frequencies of a triatomic molecule, i.e..Dichlorine Monoxide (Cl2O) upto third overtone by Lie algebraic method.Fundamental vibrational wavenumbers calculated by Lie algebraic model are compared with available experimental values.

scholarly journals Overtone Frequencies of NO2 using Lie algebraic model

2021 ◽  
Vol 37 (6) ◽  
pp. 1493-1495
Author(s):  
J. Vijayasekhar J. Vijayasekhar ◽  
K. Anil Kumar ◽  
N. Srinivas
Keyword(s):  
Nitrogen Dioxide ◽  
Gas Phase ◽  
Reference Values ◽  
Hamiltonian Operator ◽  
Algebraic Model ◽  
Vibrational Frequencies ◽  
Bending Vibrations ◽  
One Dimensional ◽  
Experimental Values ◽  
The One

In this paper, we used the one dimensional unitatry Lie algebraic model to compute the vibrational frequencies of nitrogen dioxide (NO2) molecule in the gas phase up to the sixth overtone. In this model, the Hamiltonian operator describes the stretching and bending vibrations with algebraic parameters. The calculated fundamental vibrational frequencies are compared with experimental values and results consistent with the reference values.

Modelling and Simulation of NO2 Dispersion Phenomenon in Atmosphere by Analytical-Experimental Methods

2008 ◽  
Vol 59 (10) ◽  
Author(s):  
Delia Perju ◽  
Harieta Pirlea ◽  
Gabriela-Alina Brusturean ◽  
Dana Silaghi-Perju ◽  
Sorin Marinescu
Keyword(s):  
Mathematical Model ◽  
Nitrogen Dioxide ◽  
Modeling And Simulation ◽  
Human Health ◽  
Experimental Methods ◽  
Negative Effects ◽  
Real Situation ◽  
Experimental Values ◽  
The Mathematical Model

The European laws and recently the Romanian ones impose more and more strict norms to the large nitrogen dioxide polluters. They are obligated to continuously improve the installations and products so that they limit and reduce the nitrogen dioxide pollution, because it has negative effects on the human health and environment. In this paper are presented these researches made within a case study for the Timi�oara municipality, regarding the modeling and simulation of the nitrogen dioxide dispersion phenomenon coming from various sources in atmosphere with the help of analytical-experimental methods. The mathematical model resulting from these researches is accurately enough to describe the real situation. This was confirmed by comparing the results obtained based on the model with real experimental values.

Membrane extraction of 1-phenylethanol from fermentation solution

2011 ◽  
Vol 65 (2) ◽  
Author(s):  
Mário Mihaľ ◽  
Jozef Markoš ◽  
Vladimír Štefuca
Keyword(s):  
Mathematical Model ◽  
Organic Solvents ◽  
Hollow Fiber ◽  
Hollow Fiber Membrane ◽  
Membrane Extraction ◽  
Equilibrium System ◽  
Extraction Kinetics ◽  
Hollow Fiber Contactor ◽  
Experimental Values ◽  
Fermentation Solution

Abstract1-Phenylethanol can be produced by biotransformation of acetophenone using microorganisms. The next step is the separation of biomass from the fermentation solution (e.g. using microfiltration) and then the separation of the product. Membrane extraction was studied in the presented work for this purpose. Equilibria of acetophenone and 1-phenylethanol in the equilibrium system solute-organic solvent-water were investigated for three different organic solvents (heptane, toluene, ethyl acetate). On the basis of this investigation, extraction kinetics of both solutes from the model aqueous solution to the heptane organic phase, using a hollow fiber membrane module, were studied. To simulate the extraction kinetics, mathematical model of an experimental parallel flow hollow fiber contactor is presented and verified using experimental values with good agreement. Extraction kinetics for the investigated organic solvents were simulated and compared using the verified mathematical model and the chosen membrane extraction parameters.

scholarly journals Mathematical Model of the Piped Vehicle Motion in Piped Hydraulic Transportation of Tube-Contained Raw Material

2019 ◽  
Vol 2019 ◽  
pp. 1-10 ◽  
Author(s):  
Yongye Li ◽  
Xihuan Sun
Keyword(s):  
Mathematical Model ◽  
Transportation Cost ◽  
Raw Material ◽  
Maximum Relative Error ◽  
Transportation Energy ◽  
Core Components ◽  
Vehicle Motion ◽  
Motion Characteristics ◽  
Experimental Values ◽  
The Mathematical Model

The piped hydraulic transportation of tube-contained raw material is an emerging technique for transporting materials. In this technique, the piped vehicle is one of the core components, and its motion characteristics directly determine the transportation energy consumption and the transportation cost of this technique. To study the motion characteristics of the piped vehicle, the force of the piped vehicle was analyzed from the mechanical perspective in this paper. On the assumption that the piped vehicle moved steadily and it had sufficient stiffness, the mathematical model of the piped vehicle motion was established in the turbulent flow according to the stress characteristics of the piped vehicle and the factors influencing its motion characteristics, and then the mathematical model was tested by experiments. The findings show that the calculated values of the velocities of the piped vehicle were identical to the experimental values with changes in various influencing factors. When the flow discharge, the diameter or length of the piped vehicle increased, or the mass of transported material decreased, the velocity of the piped vehicle increased. The maximum relative error did not exceed 9.47%, which proved that the mathematical model of the piped vehicle motion was rational. The results can provide theoretical basis to improve the structure of the piped vehicle and the piped hydraulic transportation technique of tube-contained raw material.

scholarly journals Synthesis, characterization and theoretical calculations of Cu(I) complex of trithiocyanuric acid [Cu(ttc)3]

2018 ◽  
Vol 23 (2) ◽  
pp. 241-266 ◽  
Author(s):  
Ximena Verónica Jaramillo-Fierro ◽  
César Zambrano ◽  
Francisco Fernández ◽  
Regino Saenz-Puche ◽  
César Costa ◽  
...  
Keyword(s):  
Computational Study ◽  
Theoretical Calculations ◽  
Photophysical Properties ◽  
Vibrational Frequencies ◽  
Basis Sets ◽  
Vertical Excitation ◽  
Experimental Values ◽  
Homo Lumo ◽  
Perchlorate Hexahydrate ◽  
Good Agreement

A new Cu(I) complex constructed by reaction of trithiocyanuric acid (ttc) and copper (II) perchlorate hexahydrate has been successfully synthesized by a slow sedimentation method in a DMF solvent at room temperature. The molecular structure of the compound was elucidated by MALDI-TOFMS, UV Vis and FTIR spectroscopy, DSC-TGA analysis and magnetic susceptibility measurement. The proposed structure was corroborated by a computational study carried out with the Gaussian09 and AIMAII programs using the RB3LYP hybrid DFT functional with both 6-31G and Alhrich-TZV basis sets. The calculated vibrational frequencies values were compared with experimental FTIR values. Photophysical properties of the synthesized complex were evaluated by UV-Visible spectroscopy and compared with computed vertical excitation obtained from TDDFT. The theoretical vibrational frequencies and the UV Vis spectra are in good agreement with the experimental values. Additionally, the Frontier Molecular Orbitals (HOMO-LUMO) and the Molecular Electrostatic Potential of the complex was calculated using same theoretical approximation. The results showed the interaction between three coordinatedl igand atoms and the Cu(I) ion.

Respirometric evaluation of the biodegradability of confectionary wastewaters

1995 ◽  
Vol 32 (12) ◽  
pp. 11-19 ◽  
Author(s):  
D. Orhon ◽  
G. Yildiz ◽  
E. Ubay Çokgör ◽  
S. Sözen
Keyword(s):  
Mathematical Model ◽  
Curve Fitting ◽  
Rate Constants ◽  
Hydrolysis Rate ◽  
Kinetic Coefficients ◽  
Experimental Values

Confectionary effluents are typical examples of strong wastes of biodegradable nature, quite suitable for respirometric analysis. Three different confectionary effluents have been subjected to a treatability-oriented characterization, mainly by means of respirometric methods, yielding meaningful results on COD fractionation and significant kinetic coefficients. Experimental values have been tested by a multi-component mathematical model using the endogenous decay approach and hydrolysis rate constants corresponding to the slowly biodegradable COD fractions have been evaluated using curve fitting.

Heat and Mass Transfer Analysis of Fabric in the Tenter Frame

1997 ◽  
Vol 67 (5) ◽  
pp. 311-316 ◽  
Author(s):  
Sang Il Park ◽  
Doo Hyun Baik
Keyword(s):  
Mathematical Model ◽  
Mass Transfer ◽  
Finite Difference Method ◽  
Moisture Content ◽  
Heat And Mass Transfer ◽  
Initial Moisture Content ◽  
Transfer Coefficients ◽  
Operation Parameters ◽  
The Finite Difference Method ◽  
Experimental Values

A mathematical model is developed for heat and mass transfer analysis of fabric in the tenter frame. Using the model, the calculated transient fabric temperatures in the tenter frame agree well with the experimental values measured by Beard. Variations in temperature and moisture content distribution are solved using the finite-difference method. The effects of operation parameters, such as temperature and humidity in the tenter, initial moisture content of the fabric, and heat and mass transfer coefficients, are examined using the model.

Identification Method of Restrictions of Treatment Method Using Algebraic Model of Constructive Logic on the Example of Hyperbaric Oxygen Therapy in Oncological Pathology

2015 ◽  
Vol 22 (3) ◽  
pp. 79-86 ◽  
Author(s):  
Дзасохов ◽  
Aleksey Dzasokhov ◽  
Хромушин ◽  
Viktor Khromushin ◽  
Китанина ◽  
...  
Keyword(s):  
Mathematical Model ◽  
Hyperbaric Oxygen ◽  
Hyperbaric Oxygen Therapy ◽  
Oxygen Therapy ◽  
Algebraic Model ◽  
Total Power ◽  
Constructive Logic ◽  
Number Of Patients ◽  
The Mathematical Model ◽  
Oncological Pathology

Mathematical device of algebraic model of constructive logic has been used for many years for multivariate analysis in medicine and biology most often to identify causal relationships. This mathematical apparatus can be used for more complex analysis schemes for the purpose of determining the contingent of patients who require this method of treatment. The proposed method is a two-step analysis using algebraic model of constructive logic with different specified purposes and subsequent analysis of the resulting final components of the mathematical model. As a result, it is possible to identify restrictions and to quantify the number of patients who need to analyzed method of treatment. The proposed method is explained by an analytical study of hyperbaric oxygen therapy in oncological pathology. Analysis of the results revealed 7,87-39,35% of patients requiring hyperbaric oxygen therapy. The authors revealed the restrictions presented resulting final components of the mathematical model in the form of limits of detection of the combined factors. The equity analysis of values of the resulting components of the mathematical model is associated with the need to calculate the maximum possible total power of the resulting components of the mathematical model, used in expert systems.

Optimization of the Algebraic Model of Constructive Logic

10.12737/2691 ◽  
2014 ◽  
Vol 8 (1) ◽  
pp. 1-11 ◽  
Author(s):  
Хромушин ◽  
Oleg Khromushin ◽  
Хромушин ◽  
Viktor Khromushin ◽  
Дзасохов ◽  
...  
Keyword(s):  
Mathematical Model ◽  
Oxygen Therapy ◽  
Model Identification ◽  
Algebraic Model ◽  
Constructive Logic ◽  
Top Down ◽  
Number Of Components ◽  
Depth Analysis ◽  
The Mathematical Model ◽  
Oncological Pathology

The authors proposed and evaluated options of optimization of the algebraic model of constructive logic, designed to construct multichannel non-linear mathematical model often used in Russia in the in-depth analysis in medicine and biology. In the basis of optimization of this model are procedures for finding duplicate cases (rows base), relevant to the achievement of goals, and excluding those resulting components that are duplicated other cases the resulting components. Procedures for reviewing the results of the components of a top-down or bottom-up and comparing the numbers corresponding to achievement of objectives are the basis of optimization. If all the numbers viewing the resulting component will be present in other watched the resulting components, then it is removed as redundant. As a result of identifying and eliminating redundant coatings target lines are reducing the number of resulting parts. Reduction of number of resulting components is achieved by identifying and eliminating redundant coatings target lines. The results of two variants of optimization of mathematical model are shown on the example of the mathematical model identification features of the method of oxygen therapy in the treatment of oncological pathology. The authors suggested the possibility of practical use of various optimization algorithms to choose model with a minimal number of components of the resulting/

The programm for highlighting the main components resulting in the algebraic model of constructive logic

10.12737/5612 ◽  
2014 ◽  
Vol 8 (1) ◽  
pp. 1-5 ◽  
Author(s):  
Хромушин ◽  
Viktor Khromushin ◽  
Хромушин ◽  
Oleg Khromushin
Keyword(s):  
Mathematical Model ◽  
Inflection Point ◽  
Detection Limits ◽  
Algebraic Model ◽  
Constructive Logic ◽  
Straight Line ◽  
Nonlinear Mathematical Models ◽  
Main Components ◽  
Combined Mark

The article presents the program to determine the principal components resulting in the algebraic model of constructive logic, which is designed for construction multivariate nonlinear mathematical models. The resulting mathematical model is represented by a set of resulting components as factors indicating the detection limits, combined mark of conjunction (indicating joint impact). Each resulting component is characterized by power, which is the essence of the number of rows in the table that match the specified detection limits factors in their joint action. The program provides two methods to determine the main result components. The first method is based on determining the minimum difference between increasing amounts of capacity resulting components of the top and bottom. The second method is based on the determination of the inflection point of the curve decreasing capacity of the resulting components. The authors give recommendations on the choice of allocation method the main result components. If the curve changes power has a dedicated point of inflection and more like a straight line, it is recommended to use method 1. If the curve changes power has a dedicated point of inflection, it is recommended to use method 2. The program should be used in the package of analytical programs algebraic model of constructive logic when performing complex analytical calculations in biophysics, medicine and biology.

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