sodium iodide simulations


Monte Carlo simulation of gamma ray scanning gauge ...

@article{osti_10190676, title = {Monte Carlo simulation of gamma ray scanning gauge}, author = {Hartfield, G L and Freeman, L B and Dei, D E and Emert, C J and Glickstein, S S and Kahler, A C and Niedzwecki, P F}, abstractNote = {A gamma ray scanning gauge was simulated with Monte Carlo to study the properties of gamma scanning gauges and to resolve the counts coming from a {sup 235}U source ... Here, the molecular dynamics (MD) simulations and sum frequency generation vibrational spectroscopy (SFG-VS) were carried out to investigate the influence of sodium iodide (NaI) on the air/liquid interfaces of the methanol–water mixtures. The SFG-VS spectral intensities were discovered to increase with the addition of 3 M NaI, while the ...

simple well-logging tool using boron-lined sodium iodide ...

Abstract. A couple of 2-inch by 2-inch right cylinder sodium iodide scintillators and an Am–Be radioisotope neutron source have been used in a neutron porosity well-logging tool to explore the variation of hydrogen contents in a prototype formation. Molecular dynamics simulations of sodium iodide dissolved in dimethyl ether or 1,2-dimethoxyethane (glyme) were studied at a range of salt concentrations. The interactions among the species were represented with Lennard-Jones and Coulomb forces. Dimethyl ether and glyme were represented by a rigid three-site model and a six-site model with ...

(PDF) Comparison of Lead, Copper and Aluminium as Gamma ...

Monte Carlo simulation methods are used to investigate the light output characteristics and energy resolution of detector modules that consist of long, narrow bars of sodium iodide crystals. 1. Introduction. The adsorption of ions at the air/water interface is crucial to a proper understanding and explanation of various physical and chemical processes, such as mineral flotation [] and atmospheric aerosols [].Thermodynamically, ions are expected to be repelled from the interface as the addition of salt to water triggers an increase in surface tension [3,4].

Sodium iodide - Wikipedia

Iodide Binding in Sodium-Coupled Cotransporters Ariela Vergara-Jaque,*,†,‡ Peying Fong,§ and Jeffrey Comer*,‡,§ †Center for Bioinformatics and Molecular Simulation, Universidad de Talca, 2 Norte 685, Talca 3460000, Chile ‡Institute of Computational Comparative Medicine, Nanotechnology Innovation Center of Kansas State, Kansas State University, The iodide solution should be stored at low T and low humidity conditions, with exclusion of air. Iodine may also form various colored charge transfer complexes (for example with pyridine).

Specific interactions of sodium salts with alanine ...

Nov 17, 2011· We examine computationally the dipeptide and tetrapeptide of alanine in pure water and solutions of sodium chloride (NaCl) and iodide (NaI), with salt concentrations up to 3 M. Enhanced sampling of the configuration space is achieved by the replica exchange method. ... In our simulations, both salts have a small effect on the dipeptide, but ... Molecular dynamics simulations of the liquid−vapor interface of aqueous solutions of sodium fluoride and of sodium iodide have been carried out using nonpolarizable force fields for ions and water molecules. Despite the absence of explicit polarizability, the tendency of iodide ions to show an enhanced concentration at the surface that was reported for polarizable force fields (Jungwirth, P ...

Experiment 1 The Iodine "Clock" Reaction

iodide ion persulfate ion iodine sulfate ion Reacts with starch to form a deep-blue complex One creative way of measuring the rate of formation of iodine is to couple the reaction in which the iodine is formed (Reaction 1) with a much faster reaction that consumes all of ... EXPERIMENT 1 THE IODINE "CLOCK" REACTION … Model systems of sodium iodide dissolved in dimethyl ether were studied in order to investigate the structural and dynamic properties of ionic solutions in small and polymeric ethers having low dielectric constants. Full molecular dynamics simulations were performed at ion charges ranging from 0.5 to 0.1 e, and an algorithm designed to assign ...

Chemdemos

The decomposition of water into hydrogen gas and oxygen gas by electrolysis. Pi Bond Model Kit: This molecular model kit is large enough to be visible by a large lecture class. Reaction of Iron Metal and Oxygen Gas. Paramagnetism of Liquid Oxygen. Stoichiometry Computer Simulation. Welcome to the University of Oregon Chemistry Department Lecture. Each compound will be treated with a solution of sodium iodide (excellent nucleophile) in acetone (polar, aprotic solvent). Also, sodium iodide, NaI, is soluble in acetone whereas sodium bromide and sodium chloride are not. The formation of a precipitate of either NaBr or NaCl will therefore indicate that a reaction has occurred. 2. S

Free energetics of carbon nanotube association in aqueous ...

Jun 15, 2015· Free energetics of carbon nanotube association in aqueous inorganic NaI salt solutions: Temperature effects using all-atom molecular dynamics simulations. Ou SC(1), Cui D(1), Wezowicz M(2), Taufer M(2), Patel S(1). Author information: (1)Department of Chemistry and Biochemistry, University of Delaware, Newark, Delaware, 19716. May 30, 2018· The magnitude of the molecular orientation mechanism B m, however, increases linearly with the concentration of sodium iodide to B m = −0.10 × 10 −14 mV −2 at 9.5M.

Organic Scintillator Detector Response Simulations with ...

@article{osti_1340962, title = {Organic Scintillator Detector Response Simulations with DRiFT}, author = {Andrews, Madison Theresa and Bates, Cameron Russell and Mckigney, Edward Allen and Solomon, Clell Jeffrey Jr. and Sood, Avneet}, abstractNote = {Here, this work presents the organic scintillation simulation capabilities of DRiFT, a post-processing Detector Response Function Toolkit … doped sodium iodide (NaI[Tl]) scintillation detectors. The first three instruments are located in the Nuclear Medicine Section of the Department of Radiology. The waste monitor is located at ... Field Tests and Monte Carlo Simulations Using Anthropomorphic Phantoms ...

Dissolution of NaCl in Water – interactive simulations ...

If you mix two substances and the result is a homogeneous mixture, you are dealing with a solution. In the case of table salt mixed with water, Na and Cl atoms, initially bonded together in the form of a crystal, are dissolved by molecules of water. Water is a solvent. The reasons are electrostatic in nature. The cohesion of atoms and molecules derive from electrostatic links between particles ... Model systems of sodium iodide dissolved in dimethyl ether or 1,2-dimethoxyethane (glyme) were studied in order to investigate the structural and dynamic properties of ionic solutions in small and polymeric ethers. Full molecular dynamics simulations were performed at …

The Influence of Sodium Iodide Salt on the Interfacial ...

Here, the molecular dynamics (MD) simulations and sum frequency generation vibrational spectroscopy (SFG-VS) were carried out to investigate the influence of sodium iodide (NaI) on the air/liquid interfaces of the methanol–water mixtures. The SFG-VS spectral intensities were discovered to increase with the addition of 3 M NaI, while the ... Jan 14, 2010· 1. J Chem Phys. 2010 Jan 14;132(2):024713. doi: 10.1063/1.3269673. Molecular dynamics simulations of nonpolarizable inorganic salt solution interfaces: NaCl, NaBr, and NaI in transferable intermolecular potential 4-point with charge dependent polarizability (TIP4P-QDP) …

Practical: Alkanes and Halogenoalkanes – IB Chemistry blog

Nov 28, 2016· Dissolve 1 g of sodium iodide in 15 cm3 of propanone. Put 5 cm3 of the reagent into each of three test tubes and stand the tubes in a beaker of water at 35 ℃. Leave the tubes for 10 minutes to reach the temperature of the water bath. The aim of this paper is comparison of some type of these detectors such as thallium activated sodium iodide bismuth germinate cesium activated yttrium aluminum garnet (YAG: Ce) YAP: Ce "lutetium ...

Molecular dynamics simulations of ion clustering and ...

Model systems of sodium iodide dissolved in dimethyl ether were studied in order to investigate the structural and dynamic properties of ionic solutions in small and polymeric ethers having low dielectric constants. Full molecular dynamics simulations were performed at ion charges ranging from 0.5 to 0.1 e, and an algorithm designed to assign ions to clusters and calculate all the … Display Name: Sodium iodide EC Number: 231-679-3 EC Name: Sodium iodide CAS Number: 7681-82-5 Molecular formula: INa IUPAC Name: sodium iodide

Structure and Vibrational Spectroscopy of Salt Water/Air ...

Of all the sodium halides, the SFG spectrum of sodium iodide (NaI) in water exhibits the largest di erences from the SFG spectrum of neat water. The main goal of this work was to compute the SFG spectrum of the aqueous sodium iodide interface from molecular dynamics simulations. Comparison of available experimental SFG spectra [16, 17] with List of Marketing Authorisations (MA) containing Sodium Iodide registered and approved in Europe on PharmaCompass.com

Iodide Binding in Sodium-Coupled Cotransporters - Journal ...

Several apical iodide translocation pathways have been proposed for iodide efflux out of thyroid follicular cells, including a pathway mediated by the sodium-coupled monocarboxylate transporter 1 (SMCT1), which remains controversial. Herein, we evaluate structural and functional similarities between SMCT1 and the well-studied sodium-iodide symporter (NIS) that mediates the first step of iodide ... Mar 29, 2019· Simulations of charge transfer energetics. Sodium iodide is known to reduce aryl bromide and triflate to the respective aryl radicals for the aromatic Finkelstein reaction, but only under high-energy ultraviolet (UV) irradiation (27, 28).Through density functional theory (DFT) calculations (see supplementary materials), we estimated that electron transfer from sodium iodide to the RAE N ...

A Monte Carlo Method for Determining the Response ...

Sep 19, 2019· For all simulations, it was assumed that 225 Ac, 221 Fr, and 213 Bi were in secular equilibrium and thus had equal activities. The high-definition Monte Carlo simulations showed that both 221 Fr and 213 Bi exhibit peaks in the energy range of 225 Ac gamma pulse height distribution. Because of the 12.5 keV energy resolution of the NaI(Tl ... Two methods based on Monte Carlo simulations are used: one for a Geiger-Muller (GM) ionisation probe and the other for sodium iodide (NaI) detector with …

Specific cation effects at aqueous solution−vapor ...

Dec 19, 2017· Salts were purchased, and included potassium iodide (>99.5%, puriss p.a; Sigma Aldrich), lithium iodide (99.9% trace metals basis; Sigma Aldrich), and sodium iodide (Sigma Aldrich). MD Simulations. MD simulations of ∼2 M aqueous LiCl, LiBr, LiI, KCl, KBr, and KI solutions consisted of 1,728 water molecules and 68 ion pairs. The energy resolution function was expressed by a power law relationship (3) R = a E b where the values of a and b were determined by a least square fit. Fig. 3 shows the experimental values and curves fits for the energy resolution of the 2″x 2″ NaI(Tl) detector (present work) whereas data representing the 2″x 2″ LaBr 3 (Ce) detector are from reference (Casanovas, Morant, & …

Modeling and simulation analysis of propyl-thiouracil (PTU ...

Original Article; Published: 13 February 2013 Modeling and simulation analysis of propyl-thiouracil (PTU), an anti-thyroid drug on thyroid peroxidase (TPO), thyroid stimulating hormone receptor (TSHR), and sodium iodide (NIS) symporter based on systems biology approach 6-4 Advanced synthetically enhanced detector resolution algorithm results overlayed on the original simulated Cs-137 detector response function. . . . . . . . . . . . 65 6-5 Input flle for generating a simulated Co-60 detector response function. . . . . . 65 6-6 Advanced synthetically enhanced detector resolution algorithm (ASEDRA) re-

A blood-mimicking fluid for particle image velocimetry ...

(BMF) composed of water, glycerol, and sodium iodide was formulated for a range of refractive indices to match most common silicone elastomers (n=1.40-1.43) and with corresponding dynamic viscosity within the average cited range of healthy human blood (4.4±0.5 cP). Model systems of sodium iodide dissolved in dimethyl ether or 1,2-dimethoxyethane (glyme) were studied in order to investigate the structural and dynamic properties of ionic solutions in small and polymeric ethers. Full molecular dynamics simulations were performed at a range of different salt concentrations. An algorithm was designed which assigns ions to clusters and then calculates all the ...

Structure and vibrational spectroscopy of salt water/air ...

Apr 28, 2005· The calculated spectra are in qualitative agreement with experiment. Our simulations show that the addition of sodium iodide to water leads to an increase in SFG intensity in the region of 3400 cm(-1), which is correlated with an increase in ordering of hydrogen-bonded water molecules. In contrast, compact LaBr 3 (Ce) detectors are ideal for in situ radioactivity measurements [1,2]. Compared to the more popular sodium iodide NaI(Tl) …