Keywords : non

Study and Calculation of the IR Spectrumfor Moleculecoumarin C14H12NO2F3 by Semi-Empirical Programs

Abdul Hakim Mohammed; Awatf Jasem; Muklis Abrahem

Kirkuk University Journal-Scientific Studies, 2019, Volume 14, Issue 2, Pages 211-231
DOI: 10.32894/kujss.2019.14.2.13

This work aims to study potential energy and vibrational frequencies of a non-linear molecule (C522) using semi-experimental and MNDO-PM3 method, the geometric space shape for molecule was calculated through the initial and final matrix which includes the bonds lengths and the angle between bonds, surface angles and the charge of each atom in the molecules and from the curve of potential energy for molecule and depending on the change of the bond length (C15—C6) (C2—O3) (C15—F18) (C13—N12) (C14—H29) (C6═C1) (C2═O23) of the molecules versus the energy values obtained, and the total energy for molecules at equilibrium state was (-3915.10178 eV) and at equilibrium distance for each bond (1.53 Aͦ), (1.37 Aͦ), (1.35 Aͦ), (1.48 Aͦ), (1.10 Aͦ), (1.34 Aͦ) and (1.21 Aͦ) respectively and from the potential energy curve, the dissociation energies were calculated for each bond are (5.69258 eV), (2.45383 eV), (5.90738 eV), (4.41122 eV), (7.53398 eV), (7.56607 eV) and (8.41981 eV) respectively. In addition, the energy values of the molecular orbitals are calculated including highest occupied molecular orbital (EHOMO), lowest unoccupied molecular orbital (ELUMO) and the energy gap for molecular (Egap) was equal to (7.38 eV). The vibrational frequencies of the molecule were also calculated when the vibrational frequencies for molecule at equilibrium state of vibration and the basic vibration modes were equal to 90 vibration mode.

Study of the Possibility of Achieving the Same Per-Port Outflow in a Dividing Manifold


Kirkuk University Journal-Scientific Studies, 2017, Volume 12, Issue 2, Pages 329-347
DOI: 10.32894/kujss.2017.124918

There have been several attempts to optimise fluid flow manifolds; these, however, have shown are limited and further investigation into the efficiency of these systems is needed. This work focuses on improving the distribution manifolds efficacy in outflow division, i.e. attaining the same flow rate per each exit port of the manifold. Water has been selected to be the working fluid. A numerical investigation utilising CFD (by ANSYS Fluent R16.2) analysis into two-dimensional, incompressible, and turbulent flow has been carried out to resolve the flow manifold problem using two turbulence modelling, Standard k-ε and RNG k-ε, approaches. Four values of flow rate have been considered, which are specified by the Reynolds numbers 101×103, 202×103, 303×103, and 404×103. These values correspond to the fluid inlet velocities 0.5, 1.0, 1.5, and 2.0 m/s, respectively. The manifold configuration is defined by the given area ratio (total cross-sectional area for laterals /header cross-sectional area). Three values of area ratio are considered; these are 0.703125, 0.84375, and 0.984375. The results indicate that the flow uniformity has a reverse proportional relationship with the fluid flow rate and area ratio for all manifold arrangements. However, there is no significant effect of the flow rate increase on flow mal-distribution. Also, the use of RNG k-ε model has shown higher values of the non-uniformity coefficient than those obtained by the Standard k-ε model. The outcomes of this analysis have been compared with experimental data and a good agreement among them has been found.


Wakkaa Ali Hadba

Kirkuk University Journal-Scientific Studies, 2016, Volume 11, Issue 4, Pages 112-140
DOI: 10.32894/kujss.2016.131068

In quality control assume that the distribution of their process output is normal. The
definition and estimation of (pci) indices are usually based on the assumption that the
production process under normal distribution. But, in most practical cases this assumption
is not valid and the distribution of the quality characteristics may follow non-normal
distributions such as Weibull ,Lognormal , and Exponential distribution). One can see the
difference between the non-normal process capability indices and the normal process
capability indices by overlooking its theoretical distributions .This paper provides a decision
on how to calculate the process capability indices for normal and find process capability
indices another step transformation data by (Box – Cox( and Johnson transformation and
comparison between two methods.

Non-Polynomial Spline Method for the Solution of the System of two Nonlinear Volterra Integral Equations

Abbas H. Taqi; Borhan F. Jumaa

Kirkuk University Journal-Scientific Studies, 2016, Volume 11, Issue 3, Pages 15-25
DOI: 10.32894/kujss.2016.124649

في هذا البحث, استخدمنا طريقة الثلمة التكعيبية غير متعددة الحدود لحل منظومة مكونة من معادلتين فولتيرا التكاملية غير الخطية من النوع الثاني وقد استخدمنا برنامج matlab14 لحل النظام. وأخيرا، قدمنا العديد من الأمثلة التوضيحية لإظهار فعالية ودقة هذه الطريقة.

A New Non Quadratic Algorithm for Solving Non-Linear Optimization Problems

Adham A. Ali

Kirkuk University Journal-Scientific Studies, 2011, Volume 6, Issue 2, Pages 201-212
DOI: 10.32894/kujss.2011.43163

This paper proposes a new algorithm for non-linear optimization to modify and develop the conjugate gradient (CG) methods and to obtain a strong global convergence. This algorithm is derived and evaluated numerically against the standard (P/R and H/S)-CG algorithms and T/S algorithm using more than (20) standard well-known test functions. The numerical results show that, Non –quadratic models are very beneficial in most of the problems especially when the dimensionality of the problem increases.

New Extended CG Algorithm For Non-Linear Optimization

Adham A. Ali; Abbas H.Taqi

Kirkuk University Journal-Scientific Studies, 2009, Volume 4, Issue 2, Pages 83-93
DOI: 10.32894/kujss.2009.39953

This paper presents the development and implementation of a new algorithm based on non-quadratic rational function model.The derivation of the new algorithm is based on aquadratic function with exact line searches and evaluated numerically against the standard CG-algorithm by using(25) non-linear test functions with different dimensions. The numerical results indicate that the new algorithm is found to be superior to the standard CG algorithm.

The Dynamics of Thin Liquid Film

Kirkuk University Journal-Scientific Studies, 2006, Volume 1, Issue 2, Pages 137-153
DOI: 10.32894/kujss.2006.44252

The dynamics of the thin layer which flows steadily between two vertical guide wires was investigated but with zero shear stress at their bounding surfaces where the gravity has no significant effect on the liquid film. We apply the Navier-Stokes equations in two dimensional steady flows for incompressible fluid to a falling liquid curtain and we present the derivation of the differential equation that governs such flow and we obtain a solution for these equations which is valid for this liquid curtain , where we restrict our works to the case where the domain under consideration is long and thin, the solution of the governing equation is obtained by analytical method, and in this case there is a critical solution for large when the parameter is equal to zero, where and which is identical to the case when the normalized pressure is equal to zero. Generally, we solve the equation when is not equal to zero, and the thickness of the film increases as increases where .