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Molecular Dynamics Simulation of Imidazole Aqueous Solution at 298.15, 303.15 and 308.15 K

  M D simulation of Imidazole aqueous solution at 298.15, 303.15 and 308.15 K was carried out by using OPLS force field from this simulation we calculate RDF of N-H… OH2 and N…HOH type of interactions, the results show that the hydration shell around N-H site at 5A0 decade with the increase of temperature and reformed at 10A0, so N site has two conserved hydration shells at approximate 4 and 6A0 respectively these are stable in this temperature range but the order and number of water molecules are varying with temperature specially the hydration shell at 4A0

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Publication Date
Mon May 15 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Conductometric Studies of Aqueous Solution of Thymine and Adenosine At Different Temperatures

  Molar conductivity of different concentrations of thymine and adenosine in water , sodium acetate and ammonium chloride solution at different temperatures , 283. 15-323.15  K has been determined from direct conductivity measurements , examination of aqueous mixture of thymine and adenosine with Onsager equation reveal deviation from linearity at high concentration .This deviation was explained in term of molecular interaction . Ostwald dilution law also examined with the above mixtures lead to calculation of limiting molar conductivities and dissociation constants of both  nucleic acid in water , sodium acetate and ammonium chloride. The agreement between the values obtained for Onsager equation and Ostwald law was reaso

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Publication Date
Fri Jan 23 2009
Journal Name
Journal Of College Of Education Al-mustansiriya University
Publication Date
Fri Nov 19 2010
Journal Name
مجلة جامعة كربلاء
Publication Date
Fri Dec 01 2023
Journal Name
Physical Chemistry Research
Thermophysical Study of Ethylene Glycol + H<inf>2</inf>O and Ethylene Glycol + (DMF/H<inf>2</inf>O) at 298.15 K

n this research, some thermophysical properties of ethylene glycol with water (H2O) and two solvent mixtures dimethylformamide/ water (DMF + H2O) were studied. The densities (ρ) and viscosities (η) of ethylene glycol in water and a mixed solvent dimethylformamide (DMF + H2O) were determined at 298.15 K, t and a range of concentrations from 0.1 to1.0 molar. The ρ and η values were subsequently used to calculate the thermodynamics of mixing including the apparent molar volume (ϕv), partial molar volume (ϕvo) at infinite dilution. The solute-solute interaction is presented by Sv results from the equation ∅_v=ϕ_v^o+S_v √m. The values of viscosity (B) coefficients and Falkenhagen coefficient(A) of the Jone-Dole equation and Gibbs free

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Publication Date
Thu May 28 2020
Journal Name
Iraqi Journal Of Science
External Switching Dynamics of Optical Bistability System Simulation

In this work, the external switching dynamics of a Fabry-Perot etalon are studied via optical bistability system simulation. The simulated set-up of this investigation consists of two laser beams; the first beam is continuous (CW) which is considered as a biasing beam and capable of holding the bistable system for a certain range, which we are interested in, from a point that is very close self-switching to a point where the switching is unachievable. The second beam is modulated by passing the first beam through an acousto-optic modulator (AOM) to produce pulses with a minimum rise time and is used as an external source (coherent switching). In this work, we obtained the optical bistable loops by applying absorption coefficient (α) =

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Publication Date
Mon May 08 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Viscosity and Density of Chrom Alum in Aqueous Poly (Ethylene Glycol) Solution at Different Temperature

   Density data of  alum chrom in water and in aqueous solution of poly (ethylene glycol) (1500) at different temperatures (288.15, 293.15, 298.15) k have been used to estimate the apparent molar volume (Vθ), limiting apparent molar volume (Vθ˚) experimental slope (Sv) and the second derivative of limiting partial molar volume [δ2 θ v° /δ T2] p .The viscosity data have been analyzed by means of Jones –Dole equation to obtain coefficient A, and  Jones – Dole coefficient B, Free activation  energy of activation per mole of solvent, Δμ10* solute, Δμ20* the activation enthalpy ΔH*,and entropy, ΔS*of activation of viscous flow. These results have been discussed

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Publication Date
Thu Sep 13 2012
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Publication Date
Wed May 10 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Density and Viscosity of Amino Acid Serine in Aqueous Dimethyl Sulfoxide Solution at Different Temperatures

Densities
 and viscosity
 of serine in 20, 40, and 60% (w/w) dimethyl sulfoxide (DMSO)-water mixtures were measured at 298.15, 303.15 and 308.15k. From these experimental data, apparent molal volume v  , limiting apparent molal volume v  o , the slop v S , transfer volume  v  o(tr), Jones-Dole coefficients A and B were calculated. The results are
v  odiscussed the solute-solvent and solute-solute interaction, and showed that serine behaves as structure-breaker in aqueous DMSO solvent

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Publication Date
Thu Nov 13 2014
Journal Name
Asian Academic Research Associates
Publication Date
Wed May 16 2018
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Kinetic Study of Methyl Green Dye Adsorption from Aqueous Solution by Bauxite Clay at Different Temperatures

    Kinetic experiments were performed to induce of the green methyl dye adsorption from aqueous solution on the bauxite clay. This study includes  determination of  the adsorption capacity of  bauxite clay to methyl green dye adsorption and study the effect of some parameters  ( temperature , time ) on the kinetic of the adsorption process of the dye were studied. Quantity of dye adsorbed was increased when the temperature increases from 298 to 318K which indicates that methyl green adsorption processes are endothermic nature . In order to describe the kinetic data and the rate adsorption constants of the pseudo-first-order and  second-order kinetics were used . The kinetics data were applied well

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