Adsorption Study for Trifluralin on Iraqi ? –Alumina

Equilibrium adsorption isotherm for the removal of trifluralin from aqueous solutions using ? –alumina clay has been studied. The result shows that the isotherms were S3 according Giels classification. The effects of various experimental parameters such as contact time, adsorbent dosage, effect of pH and temperature of trifluralin on the adsorption capacities have been investigated. The adsorption isotherms were obtained by obeying freundlich adsorption isotherm with (R2 = 0.91249-0.8149). The thermodynamic parameters have been calculated by using the adsorption process at five different temperature, the values of ?H, ?G and ?S were (_1.0625) kj. mol-1, (7.628 - 7.831) kj.mol-1 and (_2.7966 - _2.9162) kg. k-1. mol-1 respectively. The kinetic study of adsorption process has been studied depending on three kinetic equations: 1- Allergen equation 2- Morris –weber eguation 3- Reichenberg eguation. In general, the result shows the isotherm were on ?- alumina according to Giels classification.? –alumina and thermodynami

Experimental and Theoretical Study of Neomycin Sulfate as Corrosion Protection for Titanium in Acid Media

تم دراسة الطرق التجريبية والنظرية لتثبيط التآكل لمعدن التيتانيوم في الوسط الحامضي باستخدام حامض الهيدروكلوريك بوساطه  عقار  كبريتات النيومايسين. وكان  للدواء (كبريتات النيومايسين)  نتائج جيدة  بحماية التآكل لمعدن التيتانيوم في محلول الحامض وكفاءة تثبيط  تزداد مع زيادة تركيز الدواء، ويعود السبب الى امتزاز دواء  كبريتات النيومايسين على سطح معدن التيتانيوم في الوسط الحامضي. استخدم برنامج hyperchem-8.07 للدراسة النظرية لعقاركبريتات النيومايسين  بوساطة الميكانيكية الجزيئية والحسابات شبه التجريبية .كيمياء الكم استخدمة لدراسة امتزاز العقار وانتقال الالكترون من العقار الى معدن التيتانيوم , كذلك جهد العقار المثبط للتاكل مرتبط HOMO)اعلى طاقة مدارية جزية مشغولة –اوطا طاقة مدارية جزية  غير مشغولة LUMO),عزم ثنائي القطب للجزيائات والجهود الكتروستاتيكية .        The experimental and theoretical methods were studied for inhibition of the corrosion titanium in HCl by using neomycin sulfate drug. The results of neomycin sulfate drug had good corrosion protection for titanium in hydrochloric acid and the inhibition efficiency (%IE) increasing with increasing concentration of drug because the neomycin sulfate drug had adsorption from acid solution on surface of titanium metal. The program of hyperchem-8.07 was used for theoretical study of the drug by molecular mechanics and semi-empirical calculations. Quantum chemical was studied drug absorption and electron transferred from the drug to the Titanium metal, also inhibition potentials of drug attachment with the (LUMO-HOMO) energy gap, dipole moment (μ) of the molecules and electrostatic potentials

Anticorrosion Behavior of Deposited Magnetite on Galvanized Steel in Saline Water Using RF-Magnetron Sputtering

Thin films of Magnetite have been deposited on Galvanized Steel (G-S) alloy using RF-reactive magnetron sputtering technique and protection efficiency of the corrosion of G-S. A Three-Electrodes Cell was used in saline water (3.5 % NaCl) solution at different temperatures (298, 308, 318 & 328K) using potentiostatic techniques with. Electrochemical Impedance Spectroscopy (EIS) and fitting impedance data via Frequency Response Analysis (FRA) were applied to G-S alloy with Fe3O4 and tested in 3.5 % NaCl solution at 298K.Results taken from Nyquist and Bode plots were analyzed using software provided with the instrument. The results obtained show that the rate of corrosion of G.S alloy increased with increasing the temperatures from 298 to 323K; and showed that deposition of Fe3O4 caused protection efficiency to reach 79.76% for G-S in 318K. In addition the enthalpy & entropy of activation were evaluated. Apparent energies of activation have been calculated for the corrosion process of uncoated and coated G.S alloy by sputtering technique in saline water (3.5 % NaCl). The morphological analysis was carried out using Scanning Electron Microscopy (SEM) technique

Synthesis, Theoretical Study, and Biological Evaluation of Some Metal Ions with Ligand "Methyl -6-[2-(4-Hydroxyphenyl) -2-((1-Phenylethylidene) Amino) Acetamido] -2,2-Dimethyl-5—Oxo-1-Thia-4-Azabicyclo [3.2.0] Heptane-3-Carboxyylate

قاعدة شيف (ميثيل 6- (2- (4-هيدروكسيفينيل) -2- (1-فينيل إيثيل إدينيامينو) أسيتاميدو) -3، 3-ثنائي ميثيل-7-أوكسو-4-ثيا-1-أزابيسيكلو [3.2.0] هيبتان -2- كاربوكسيلات. تم استخدام أيونات العناصر و(Co (II), Ni (II , Cu (II) , Zn(II) (II) , (Hg (II)] لتحضير المعقدات . تم استخدام بنسبة تحليل المعادن M والتحليل الكيميائي للعناصر (CHNS)، وغيرها من الطرق الفيزيائية والكيميائية القياسية. تم استخدام القابلية المغناطيسية وقياسات الموصلية وFT-IR  والأطياف المرئية للأشعة فوق البنفسجية لتحديدها. تم إجراء المعالجة النظرية للمعقدات المحضرة في الطور الغازي باستخدام برنامج (hyperchem-8.07) للميكانيكا الجزيئية والحسابات شبه التجريبية. تم استخدام طريقة (PM3) لتحديد حرارة التكوين (ΔH˚f)، وطاقة الربط (Eb)، والطاقة الكلية (ET) للروابط والمجمعات المعدنية عند 298 K. لاستكشاف المواقع التفاعلية للمركبات، تم حساب القيم الكهروستاتيكية للرابط (L). تم استخدام PM3 لحساب ترددات اهتزازات (ligand (L ومعقداته المعدنية ، والتي تمت مقارنتها بعد ذلك بالبيانات التجريبية. تم فحص النشاط المضاد للبكتيريا (L) ومركباته المعدنية ضد ثلاثة كائنات دقيقة ضارة: Staphylococcus aureus (إيجابي الجرام) ، Echerchia coli (سلبي الجرام) ، و Candida Albicans.Schiff base (methyl 6-(2- (4-hydroxyphenyl) -2- (1-phenyl ethyl ideneamino) acetamido) -3, 3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0] heptane-2-carboxylate)Co(II), Ni(II), Cu (II), Zn (II), and Hg(II)] ions were employed to make certain complexes. Metal analysis M percent, elemental chemical analysis (C.H.N.S), and other standard physico-chemical methods were used. Magnetic susceptibility, conductometric measurements, FT-IR and UV-visible Spectra were used to identified. Theoretical treatment of the generated complexes in the gas phase was performed using the (hyperchem-8.07) program for molecular mechanics and semi-empirical computations. The (PM3) approach was used to determine the heat of formation (ΔH˚f), binding energy (ΔEb), and total energy (ET) for ligands and metal complexes at 298 ᴼK. To explore the reactive sites of the compounds, the electrostatic potential of the ligand (L) was computed. PM3 was used to calculate the vibrational frequencies of the ligand (L) and its metal complexes, which were then compared to experimental data. The antibacterial activity of (L) and its metal complexes against three harmful microorganisms were examined: Staphylococcus aureus (gram positive), Echerchia coli (gram negative), and Candida albicans

The Removal of Zinc from Aqueous Solutions Using Malvaparviflora

In this study, the adsorption of Zn (NO3)2 is carried out by using surfaces of malvaparviflora. The validity of the adsorption is evaluated by using atomic absorption Spectrophotometry through determination the amount of adsorbed Zn (NO3)2. Various parameters such as PH, adsorbent weight and contact time are studied in terms of their effect on the reaction progress. Furthermore, Lagergren’s equation is used to determine adsorption kinetics. It is observed that high removal of Zn (NO3)2 is obtained at PH=2. High removal of Zn (NO3)2 is at the time equivalent of 60 min and reaches equilibrium,where 0.25gm is the best weight of adsorbant . For kinetics the reaction onto malvaparviflora follows pseudo first order Lagergren’s equation

Synthesis, Characterization, and Investigation the Inhibitory Impact of Thiosemicarbazide Derivative toward the Corrosion of Mild Steel in Acidic Media

ركزنا في هذه الدراسة على تحديد تأثير مشتق الثيوسيميكاربازيد المحضر و الذي يمكن تسميته ’’ 2- (2-هيدروكسي-3-ميثوكسي بنزيليدين) هيدرازين كاربوثايميد ‘‘ (HMHC) على تثبيط تآكل الفولاذ الطري في محلول حمضي من حامض كلوريد الهايدروجين بتركيز 1 مولاري كمحاولة جديدة للحفاظ على تركيب المواد المعدنية من خلال الحفاظ عليها من التآكل. تم تشخيص المثبط المحضر باستخدام تقنية تحليل العناصر و مطيافية الرنين المغناطيسي النووي. ثم تم دراسة قدرة المركب المحضر (HMHC) على تثبيط تآكل الفولاذ الطري في الوسط الحمضي بتقنية فقدان الوزن ضمن المتغيرات ]درجة الحرارة و تركيز المثبط و الوقت[. حيث تراوح مدى درجات الحرارة بين (303 الى 330 ) كلفن و استخدمت تراكيز مختلفه من المثبط المحضر [0,00 و 0,001 و 0,05 و 0,1 و 0,15 و 0,2 و 0,25 و 0,5] غم/لتر ضمن فترات غمر معينه و هي [1:00 و 3:00 و 5:00 و 10:00 و 24:00 و 72:00 ] ساعة. اظهر المشتق المحضر قدرته على تثبيط التآكل و من خلال النتائج لوحظ أن معدل التآكل يتناقص مع زيادة تركيز المانع المحضر و يزداد مع زيادة درجة حرارة المحلول  و ان اعلى كفاءة لعمل المثبط هي عند استخدام  التركيز 0,5 غم / لتر حيث بلغت 90,2% و وجد أن عملية امتزاز المثبط HMHC تخضع لنموذج ايزوثيرم لانكماير. تم دراسة الخصائص الالكترونية  للمثبط نظرياَ باستخدام نظرية الدالة الوظيفية للكثافة DFT  حيث تم الحصول على نتائج نظرية مقاربة بشكل كبير للنتائج العملية لهذه الدراسة.        In this study we focused on the determination of influence the novel synthesized thiosemicarbazide derivative "2-(2-hydroxy-3-methoxybenzylidene) hydrazinecarbothioamide" (HMHC) influenced the corrosion inhibition of mild steel (MS) in a 1.0 M hydrochloric acid acidic solution.This is in an effort to preserve the metal material by maintaining it from corrosion.The synthesized inhibitor was characterized using elemental analysis, and NMR-spectroscopy. Then the corrosion inhibition capability of (HMHC) was studied on mild steel in an acidic medium by weight loss technique within variables [temperature, inhibitor concentration, and time]. The immersion periods were [1:00, 3:00, 5:00, 10:00, 24:00, and 72:00] hours and the temperature range was (303-333) K. Various concentration of (HMHC) were used and the immersion periods were [0.00, 0.001, 0.05, 0.10, 0.15, 0.20, 0.25, and 0.50] g/L. The prepared derivative has shown the ability to inhibit corrosion. It has been observed that the rate of erosion decreases with the increasing concentration of the prepared inhibitor and increases with the increasing temperature of the solution. The most promising inhibitor action is at 0.5 g/L with an inhibition efficiency of 90.2%. Where it found that the adsorption process of HMHC obeys the Langmuir isotherm model. The electronic properties of the HMHC molecules were obtained from density function theory (DFT) quantum chemical approach. The experimental approach and theoretical results were found to have impressive correlations

Kinetic and Theoretical Study of Removal Gentian Violet from Aqueous Solution Using Stachy Plant

     The main parameters and methods influencing the removal of Gentian Violet (GV) dye from aqueous media were investigated using a stachy plant in this study. The surface of the stachy plant was determined using FTIR spectra. Adsorption is influenced by the adsorbent's characteristic groups. The research took into account the usual conditions for GV dye adsorption by the stachy plant, such as the impact of contact time. Mass dosage , after 0.3 g the amount of adsorbed dye declines. Study pH and ionic strength, the results obtained showed that at pH 3 the largest adsorption of (GV) was seen, while at pH 9, the lowest adsorption was observed  at 298 K, the adsorption kinetics and equilibrium constants were achieved, and the equilibrium data was fitted using the Langmuir, Freundlich, and Temkin models. The pseudo-first-order and pseudo-second-order kinetic models were used to investigate the adsorption process of gentian violet. The adsorption kinetics was discovered to be governed by a pseudo-second-order kinetic model with a determination coefficient (R2) of 0. 0.9943. Study the theoretical electrostatics of Gentian Violet dye was measured and plotted as a 2D and 3D contour and the program hyperchem-8.07 was used for semi-empirical and molecular mechanic calculations in the gas phase to estimate the total energy

Synthesis, Characterization and Antimicrobial activity Study Via some new Schiff bases for Trimethoprim

This search reports the synthesis of some new series of Schiff base compounds for trimetheprim derivatives which known high been known as a medicinal effectiveness. Trimetheprim was condensed with several substituted aldehydes compounds.(4-dimethyl amine benzaldehyde , propanal , salicaldehyde, 2.4 dimethoxy benzaldehyde and 4- methyl benzaldehyde) to obtain Schiff base products(1a-5a) and several substituted ketones compound (4-aminoacetophenone,4-chloroacetophenone, isobutyleketone, acetylacetone and acetophenone) to obtain Schiff base products(6b-10b) in ethanol in the presence of concentrated sulphuric acid as a catalyst to yield the Schiff base. The structure of synthesized compounds has been established on the basis of their Chemical structures of all products were confirmed by spectrophotometric methods such as U.V. visible and FTIR.. All these compounds were evaluated for their antibacterial activity in vitro against Gram + ve bacteria (bacillus) , Gram –ve bacteria (E-Coli).Most Compound under investigation exhibited potent antibacterial activit

Synthesis of Silver Nanoparticles from Malva parviflora Extract and Effect on Ecto-5'- Nucleotidase(5'-NT), ADA and AMPDA Enzymes in Sera of Patients with Arthrosclerosis

The present research included synthesis of silver nanoparticle from(1*10-3,1*10-4 and1*10-5) M aqueous AgNO3 solution through the extract of M.parviflora reducing agent. In the process of synthesizing silver nanoparticles we detected a rapid reduction of silver ions leading to the formation of stable crystalline silver nanoparticles in the solution. The characteristics of silver nanoparticles were studied by using UV-Visible absorption spectroscopy, and atomic force microscope (AFM) analysis. The AFM measurements showed that the average size of silver nanoparticles synthesized using (1*10-3,1*10-4 and1*10-5) M aqueous AgNO3 solution through the extract of M.parviflora were 102 to 114nm. UV-Vis spectra of the aqueous medium containing silver nanoparticles showed a surface peak at 220nm and 445nm for (1*10-3,1*10-4 and1*10-5) M aqueous AgNO3 solution through the extract of M.parviflora. The study of nanoparticles due to the possible application for the development of new technologies such as exhibited inhibitory effects on Ecto-5'- Nucleotidase (5'-NT), ADA and AMPDA enzymes in Sera of control and Patients with Arthrosclerosis. Further studies on other biological activities are required to exploit their full potentia