Sodium iodide is an ionic compound formed from the chemical reaction of sodium metal and iodine. Under standard conditions, it is a white, water-soluble solid comprising a 1:1 mix of sodium cations and iodide anions in a crystal lattice, it is used as a nutritional supplement and in organic chemistry. It is produced industrially. Sodium iodide, as well as potassium iodide, is used to treat and prevent iodine deficiency. Iodized table salt contains 10 ppm iodide. Sodium iodide is used for conversion of alkyl chlorides into alkyl iodides; this method, the Finkelstein reaction, relies on the insolubility of sodium chloride in acetone to drive the reaction: R−Cl + NaI → R−I + NaCl Some radioactive iodide salts of sodium, including Na125I and Na131I, have radiopharmaceutical uses, such as in the treatment of thyroid cancer and hyperthyroidism or as radiolabeling tracers in imaging. Sodium iodide activated with thallium, NaI, when subjected to ionizing radiation, emits photons and is used in scintillation detectors, traditionally in nuclear medicine, nuclear physics, environmental measurements.
NaI is the most used scintillation material. The crystals are coupled with a photomultiplier tube, in a hermetically sealed assembly, as sodium iodide is hygroscopic. Fine-tuning of some parameters can be achieved by varying the conditions of the crystal growth. Crystals with a higher level of doping are used in X-ray detectors with high spectrometric quality. Sodium iodide can be used both as polycrystals for this purpose; the wavelength of maximum emission is 415 nm. Sodium iodide exhibits high solubility in some organic solvents, unlike sodium chloride or bromide: Gamma spectroscopy Scintillation counter Teratology "ICSC 1009 – Sodium Iodide". International Chemical Safety Card. April 20, 2005. Retrieved June 21, 2017. "Material Safety Data Sheet – Safety data for sodium iodide". ScienceLab.com. May 21, 2013. Retrieved June 21, 2017. "Sodium iodide". Drugs.com. 2017. Retrieved June 21, 2017. "Safety Data Sheet – Sodium iodide / Thallium Crystal". Saint Gobain. February 27, 2014. Retrieved June 21, 2017
In crystallography, crystal structure is a description of the ordered arrangement of atoms, ions or molecules in a crystalline material. Ordered structures occur from the intrinsic nature of the constituent particles to form symmetric patterns that repeat along the principal directions of three-dimensional space in matter; the smallest group of particles in the material that constitutes this repeating pattern is the unit cell of the structure. The unit cell reflects the symmetry and structure of the entire crystal, built up by repetitive translation of the unit cell along its principal axes; the translation vectors define the nodes of the Bravais lattice. The lengths of the principal axes, or edges, of the unit cell and the angles between them are the lattice constants called lattice parameters or cell parameters; the symmetry properties of the crystal are described by the concept of space groups. All possible symmetric arrangements of particles in three-dimensional space may be described by the 230 space groups.
The crystal structure and symmetry play a critical role in determining many physical properties, such as cleavage, electronic band structure, optical transparency. Crystal structure is described in terms of the geometry of arrangement of particles in the unit cell; the unit cell is defined as the smallest repeating unit having the full symmetry of the crystal structure. The geometry of the unit cell is defined as a parallelepiped, providing six lattice parameters taken as the lengths of the cell edges and the angles between them; the positions of particles inside the unit cell are described by the fractional coordinates along the cell edges, measured from a reference point. It is only necessary to report the coordinates of a smallest asymmetric subset of particles; this group of particles may be chosen so that it occupies the smallest physical space, which means that not all particles need to be physically located inside the boundaries given by the lattice parameters. All other particles of the unit cell are generated by the symmetry operations that characterize the symmetry of the unit cell.
The collection of symmetry operations of the unit cell is expressed formally as the space group of the crystal structure. Vectors and planes in a crystal lattice are described by the three-value Miller index notation; this syntax uses the indices ℓ, m, n as directional orthogonal parameters, which are separated by 90°. By definition, the syntax denotes a plane that intercepts the three points a1/ℓ, a2/m, a3/n, or some multiple thereof; that is, the Miller indices are proportional to the inverses of the intercepts of the plane with the unit cell. If one or more of the indices is zero, it means. A plane containing a coordinate axis is translated so that it no longer contains that axis before its Miller indices are determined; the Miller indices for a plane are integers with no common factors. Negative indices are indicated with horizontal bars, as in. In an orthogonal coordinate system for a cubic cell, the Miller indices of a plane are the Cartesian components of a vector normal to the plane. Considering only planes intersecting one or more lattice points, the distance d between adjacent lattice planes is related to the reciprocal lattice vector orthogonal to the planes by the formula d = 2 π | g ℓ m n | The crystallographic directions are geometric lines linking nodes of a crystal.
The crystallographic planes are geometric planes linking nodes. Some directions and planes have a higher density of nodes; these high density planes have an influence on the behavior of the crystal as follows: Optical properties: Refractive index is directly related to density. Adsorption and reactivity: Physical adsorption and chemical reactions occur at or near surface atoms or molecules; these phenomena are thus sensitive to the density of nodes. Surface tension: The condensation of a material means that the atoms, ions or molecules are more stable if they are surrounded by other similar species; the surface tension of an interface thus varies according to the density on the surface. Microstructural defects: Pores and crystallites tend to have straight grain boundaries following higher density planes. Cleavage: This occurs preferentially parallel to higher density planes. Plastic deformation: Dislocation glide occurs preferentially parallel to higher density planes; the perturbation carried by the dislocation is along a dense direction.
The shift of one node in a more dense direction requires a lesser distortion of the crystal lattice. Some directions and planes are defined by symmetry of the crystal system. In monoclinic, rhombohedral and trigonal/hexagonal systems there is one unique axis which has higher rotational symmetry than the other two axes; the basal plane is the plane perpendicular to the principal axis in these crystal systems. For triclinic and cubic crystal systems the axis designation is arbitrary and there is no principal axis. For the special case of simple cubic crystals, the lattice vectors are orthogonal and of equal length. So, in this common case, the Miller indices and both denote normals/directions in Cartesian coordinates. For cubic crystals with lattice constant a, the spacing d between adjacent l
Safety data sheet
A safety data sheet, material safety data sheet, or product safety data sheet is a document that lists information relating to occupational safety and health for the use of various substances and products. SDSs are a used system for cataloging information on chemicals, chemical compounds, chemical mixtures. SDS information may include instructions for the safe use and potential hazards associated with a particular material or product, along with spill-handling procedures. SDS formats can vary from source to source within a country depending on national requirements. A SDS for a substance is not intended for use by the general consumer, focusing instead on the hazards of working with the material in an occupational setting. There is a duty to properly label substances on the basis of physico-chemical, health or environmental risk. Labels can include hazard symbols such as the European Union standard symbols; the same product can have different formulations in different countries. The formulation and hazard of a product using a generic name may vary between manufacturers in the same country.
The Globally Harmonized System of Classification and Labelling of Chemicals contains a standard specification for safety data sheets. The SDS follows a 16 section format, internationally agreed and for substances the SDS should be followed with an Annex which contains the exposure scenarios of this particular substance; the 16 sections are: SECTION 1: Identification of the substance/mixture and of the company/undertaking 1.1. Product identifier 1.2. Relevant identified uses of the substance or mixture and uses advised against 1.3. Details of the supplier of the safety data sheet 1.4. Emergency telephone number SECTION 2: Hazards identification 2.1. Classification of the substance or mixture 2.2. Label elements 2.3. Other hazards SECTION 3: Composition/information on ingredients 3.1. Substances 3.2. Mixtures SECTION 4: First aid measures 4.1. Description of first aid measures 4.2. Most important symptoms and effects, both acute and delayed 4.3. Indication of any immediate medical attention and special treatment needed SECTION 5: Firefighting measures 5.1.
Extinguishing media 5.2. Special hazards arising from the substance or mixture 5.3. Advice for firefighters SECTION 6: Accidental release measure 6.1. Personal precautions, protective equipment and emergency procedures 6.2. Environmental precautions 6.3. Methods and material for containment and cleaning up 6.4. Reference to other sections SECTION 7: Handling and storage 7.1. Precautions for safe handling 7.2. Conditions for safe storage, including any incompatibilities 7.3. Specific end use SECTION 8: Exposure controls/personal protection 8.1. Control parameters 8.2. Exposure controls SECTION 9: Physical and chemical properties 9.1. Information on basic physical and chemical properties 9.2. Other information SECTION 10: Stability and reactivity 10.1. Reactivity 10.2. Chemical stability 10.3. Possibility of hazardous reactions 10.4. Conditions to avoid 10.5. Incompatible materials 10.6. Hazardous decomposition products SECTION 11: Toxicological information 11.1. Information on toxicological effects SECTION 12: Ecological information 12.1.
Toxicity 12.2. Persistence and degradability 12.3. Bioaccumulative potential 12.4. Mobility in soil 12.5. Results of PBT and vPvB assessment 12.6. Other adverse effects SECTION 13: Disposal considerations 13.1. Waste treatment methods SECTION 14: Transport information 14.1. UN number 14.2. UN proper shipping name 14.3. Transport hazard class 14.4. Packing group 14.5. Environmental hazards 14.6. Special precautions for user 14.7. Transport in bulk according to Annex II of MARPOL73/78 and the IBC Code SECTION 15: Regulatory information 15.1. Safety and environmental regulations/legislation specific for the substance or mixture 15.2. Chemical safety assessment SECTION 16: Other information 16.2. Date of the latest revision of the SDS In Canada, the program known as the Workplace Hazardous Materials Information System establishes the requirements for SDSs in workplaces and is administered federally by Health Canada under the Hazardous Products Act, Part II, the Controlled Products Regulations. Safety data sheets have been made an integral part of the system of Regulation No 1907/2006.
The original requirements of REACH for SDSs have been further adapted to take into account the rules for safety data sheets of the Global Harmonised System and the implementation of other elements of the GHS into EU legislation that were introduced by Regulation No 1272/2008 via an update to Annex II of REACH. The SDS must be supplied in an official language of the Member State where the substance or mixture is placed on the market, unless the Member State concerned provide otherwise; the European Chemicals Agency has published a guidance document on the compilation of safety data sheets. The German Federal Water Management Act requires that substances be evaluated for negative influence on the physical, chemical or biological characteristics of water; these are classified into numeric water hazard classes. WGK nwg: Non-water polluting substance WGK 1: Slightly water polluting substance WGK 2: Water polluting substance WGK 3: Highly water polluting substance This section contributes to a better understanding of the regulations governing SDS within the South African framework.
As regulations may change, it is the responsibility of the reader to verify the validity of the regulations mentioned in text. As globalisation increased and countries engaged in cross-border trade, the quantity of hazardous material crossing international borders a
The thermal conductivity of a material is a measure of its ability to conduct heat. It is denoted by k, λ, or κ. Heat transfer occurs at a lower rate in materials of low thermal conductivity than in materials of high thermal conductivity. For instance, metals have high thermal conductivity and are efficient at conducting heat, while the opposite is true for insulating materials like Styrofoam. Correspondingly, materials of high thermal conductivity are used in heat sink applications and materials of low thermal conductivity are used as thermal insulation; the reciprocal of thermal conductivity is called thermal resistivity. The defining equation for thermal conductivity is q = − k ∇ T, where q is the heat flux, k is the thermal conductivity, ∇ T is the temperature gradient; this is known as Fourier's Law for heat conduction. Although expressed as a scalar, the most general form of thermal conductivity is a second-rank tensor. However, the tensorial description only becomes necessary in materials.
Consider a solid material placed between two environments of different temperatures. Let T 1 be the temperature at x = 0 and T 2 be the temperature at x = L, suppose T 2 > T 1. A possible realization of this scenario is a building on a cold winter day: the solid material in this case would be the building wall, separating the cold outdoor environment from the warm indoor environment. According to the second law of thermodynamics, heat will flow from the hot environment to the cold one in an attempt to equalize the temperature difference; this is quantified in terms of a heat flux q, which gives the rate, per unit area, at which heat flows in a given direction. In many materials, q is observed to be directly proportional to the temperature difference and inversely proportional to the separation: q = − k ⋅ T 2 − T 1 L; the constant of proportionality k is the thermal conductivity. In the present scenario, since T 2 > T 1 heat flows in the minus x-direction and q is negative, which in turn means that k > 0.
In general, k is always defined to be positive. The same definition of k can be extended to gases and liquids, provided other modes of energy transport, such as convection and radiation, are eliminated. For simplicity, we have assumed here that the k does not vary as temperature is varied from T 1 to T 2. Cases in which the temperature variation of k is non-negligible must be addressed using the more general definition of k discussed below. Thermal conduction is defined as the transport of energy due to random molecular motion across a temperature gradient, it is distinguished from energy transport by convection and molecular work in that it does not involve macroscopic flows or work-performing internal stresses. Energy flow due to thermal conduction is classified as heat and is quantified by the vector q, which gives the heat flux at position r and time t. According to the second law of thermodynamics, heat flows from high to low temperature. Hence, it reasonable to postulate that q is proportional to the gradient of the temperature field T, i.e. q = − k ∇ T, where the constant of proportionality, k > 0, is the thermal conductivity.
This is called Fourier's law of heat conduction. In actuality, it is not a law but a definition of thermal conductivity in terms of the independent physical quantities q and T; as such, its usefulness depends on the ability to determine k for a given material under given conditions. Note that k
The viscosity of a fluid is a measure of its resistance to deformation at a given rate. For liquids, it corresponds to the informal concept of "thickness": for example, syrup has a higher viscosity than water. Viscosity can be conceptualized as quantifying the frictional force that arises between adjacent layers of fluid that are in relative motion. For instance, when a fluid is forced through a tube, it flows more near the tube's axis than near its walls. In such a case, experiments show; this is because a force is required to overcome the friction between the layers of the fluid which are in relative motion: the strength of this force is proportional to the viscosity. A fluid that has no resistance to shear stress is known as an inviscid fluid. Zero viscosity is observed only at low temperatures in superfluids. Otherwise, the second law of thermodynamics requires all fluids to have positive viscosity. A fluid with a high viscosity, such as pitch, may appear to be a solid; the word "viscosity" is derived from the Latin "viscum", meaning mistletoe and a viscous glue made from mistletoe berries.
In materials science and engineering, one is interested in understanding the forces, or stresses, involved in the deformation of a material. For instance, if the material were a simple spring, the answer would be given by Hooke's law, which says that the force experienced by a spring is proportional to the distance displaced from equilibrium. Stresses which can be attributed to the deformation of a material from some rest state are called elastic stresses. In other materials, stresses are present which can be attributed to the rate of change of the deformation over time; these are called. For instance, in a fluid such as water the stresses which arise from shearing the fluid do not depend on the distance the fluid has been sheared. Viscosity is the material property which relates the viscous stresses in a material to the rate of change of a deformation. Although it applies to general flows, it is easy to visualize and define in a simple shearing flow, such as a planar Couette flow. In the Couette flow, a fluid is trapped between two infinitely large plates, one fixed and one in parallel motion at constant speed u.
If the speed of the top plate is low enough in steady state the fluid particles move parallel to it, their speed varies from 0 at the bottom to u at the top. Each layer of fluid moves faster than the one just below it, friction between them gives rise to a force resisting their relative motion. In particular, the fluid applies on the top plate a force in the direction opposite to its motion, an equal but opposite force on the bottom plate. An external force is therefore required in order to keep the top plate moving at constant speed. In many fluids, the flow velocity is observed to vary linearly from zero at the bottom to u at the top. Moreover, the magnitude F of the force acting on the top plate is found to be proportional to the speed u and the area A of each plate, inversely proportional to their separation y: F = μ A u y; the proportionality factor μ is the viscosity of the fluid, with units of Pa ⋅ s. The ratio u / y is called the rate of shear deformation or shear velocity, is the derivative of the fluid speed in the direction perpendicular to the plates.
If the velocity does not vary linearly with y the appropriate generalization is τ = μ ∂ u ∂ y, where τ = F / A, ∂ u / ∂ y is the local shear velocity. This expression is referred to as Newton's law of viscosity. In shearing flows with planar symmetry, it is what defines μ, it is a special case of the general definition of viscosity, which can be expressed in coordinate-free form. Use of the Greek letter mu for the viscosity is common among mechanical and chemical engineers, as well as physicists. However, the Greek letter eta is used by chemists and the IUPAC; the viscosity μ is sometimes referred to as the shear viscosity. However, at least one author discourages the use of this terminology, noting that μ can appear in nonshearing flows in addition to shearing flows. In general terms, the viscous stresses in a fluid are defined as those resulting from the relative velocity of different fluid particles; as such, the viscous stresses. If the velocity gradients are small to a first approximation the v
The lattice constant, or lattice parameter, refers to the physical dimension of unit cells in a crystal lattice. Lattices in three dimensions have three lattice constants, referred to as a, b, c. However, in the special case of cubic crystal structures, all of the constants are equal referred to as a. In hexagonal crystal structures, the a and b constants are equal, we only refer to the a and c constants. A group of lattice constants could be referred to as lattice parameters. However, the full set of lattice parameters consist of the three lattice constants and the three angles between them. For example, the lattice constant for diamond is a = 3.57 Å at 300 K. The structure is equilateral although its actual shape cannot be determined from only the lattice constant. Furthermore, in real applications the average lattice constant is given. Near the crystal's surface, lattice constant is affected by the surface reconstruction that results in a deviation from its mean value; this deviation is important in nanocrystals since surface-to-nanocrystal core ratio is large.
As lattice constants have the dimension of length, their SI unit is the meter. Lattice constants are on the order of several ångströms. Lattice constants can be determined using techniques such as X-ray diffraction or with an atomic force microscope. Lattice constant of a crystal can be used as a natural length standard of nanometer range. In epitaxial growth, the lattice constant is a measure of the structural compatibility between different materials. Lattice constant matching is important for the growth of thin layers of materials on other materials; the volume of the unit cell can be calculated from angles. If the unit cell sides are represented as vectors the volume is the dot product of one vector with the cross product of the other two vectors; the volume is represented by the letter V. For the general unit cell V = a b c 1 + 2 cos α cos β cos γ − cos 2 α − cos 2 β − cos 2 γ. For monoclinic lattices with α = 90°, γ = 90°, this simplifies to V = a b c sin β. For orthorhombic and cubic lattices with β = 90° as well V = a b c.
Matching of lattice structures between two different semiconductor materials allows a region of band gap change to be formed in a material without introducing a change in crystal structure. This allows construction of diode lasers. For example, gallium arsenide, aluminium gallium arsenide, aluminium arsenide have equal lattice constants, making it possible to grow arbitrarily thick layers of one on the other one. Films of different materials grown on the previous film or substrate are chosen to match the lattice constant of the prior layer to minimize film stress. An alternative method is to grade the lattice constant from one value to another by a controlled altering of the alloy ratio during film growth; the beginning of the grading layer will have a ratio to match the underlying lattice and the alloy at the end of the layer growth will match the desired final lattice for the following layer to be deposited. The rate of change in the alloy must be determined by weighing the penalty of layer strain, hence defect density, against the cost of the time in the epitaxy tool.
For example, indium gallium phosphide layers with a band gap above 1.9 eV can be grown on gallium arsenide wafers with index grading
Simplified molecular-input line-entry system
The simplified molecular-input line-entry system is a specification in the form of a line notation for describing the structure of chemical species using short ASCII strings. SMILES strings can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the molecules; the original SMILES specification was initiated in the 1980s. It has since been extended. In 2007, an open standard called. Other linear notations include the Wiswesser line notation, ROSDAL, SYBYL Line Notation; the original SMILES specification was initiated by David Weininger at the USEPA Mid-Continent Ecology Division Laboratory in Duluth in the 1980s. Acknowledged for their parts in the early development were "Gilman Veith and Rose Russo and Albert Leo and Corwin Hansch for supporting the work, Arthur Weininger and Jeremy Scofield for assistance in programming the system." The Environmental Protection Agency funded the initial project to develop SMILES. It has since been modified and extended by others, most notably by Daylight Chemical Information Systems.
In 2007, an open standard called "OpenSMILES" was developed by the Blue Obelisk open-source chemistry community. Other'linear' notations include the Wiswesser Line Notation, ROSDAL and SLN. In July 2006, the IUPAC introduced the InChI as a standard for formula representation. SMILES is considered to have the advantage of being more human-readable than InChI; the term SMILES refers to a line notation for encoding molecular structures and specific instances should be called SMILES strings. However, the term SMILES is commonly used to refer to both a single SMILES string and a number of SMILES strings; the terms "canonical" and "isomeric" can lead to some confusion when applied to SMILES. The terms are not mutually exclusive. A number of valid SMILES strings can be written for a molecule. For example, CCO, OCC and CC all specify the structure of ethanol. Algorithms have been developed to generate the same SMILES string for a given molecule; this SMILES is unique for each structure, although dependent on the canonicalization algorithm used to generate it, is termed the canonical SMILES.
These algorithms first convert the SMILES to an internal representation of the molecular structure. Various algorithms for generating canonical SMILES have been developed and include those by Daylight Chemical Information Systems, OpenEye Scientific Software, MEDIT, Chemical Computing Group, MolSoft LLC, the Chemistry Development Kit. A common application of canonical SMILES is indexing and ensuring uniqueness of molecules in a database; the original paper that described the CANGEN algorithm claimed to generate unique SMILES strings for graphs representing molecules, but the algorithm fails for a number of simple cases and cannot be considered a correct method for representing a graph canonically. There is no systematic comparison across commercial software to test if such flaws exist in those packages. SMILES notation allows the specification of configuration at tetrahedral centers, double bond geometry; these are structural features that cannot be specified by connectivity alone and SMILES which encode this information are termed isomeric SMILES.
A notable feature of these rules is. The term isomeric SMILES is applied to SMILES in which isotopes are specified. In terms of a graph-based computational procedure, SMILES is a string obtained by printing the symbol nodes encountered in a depth-first tree traversal of a chemical graph; the chemical graph is first trimmed to remove hydrogen atoms and cycles are broken to turn it into a spanning tree. Where cycles have been broken, numeric suffix labels are included to indicate the connected nodes. Parentheses are used to indicate points of branching on the tree; the resultant SMILES form depends on the choices: of the bonds chosen to break cycles, of the starting atom used for the depth-first traversal, of the order in which branches are listed when encountered. Atoms are represented by the standard abbreviation of the chemical elements, in square brackets, such as for gold. Brackets may be omitted in the common case of atoms which: are in the "organic subset" of B, C, N, O, P, S, F, Cl, Br, or I, have no formal charge, have the number of hydrogens attached implied by the SMILES valence model, are the normal isotopes, are not chiral centers.
All other elements must be enclosed in brackets, have charges and hydrogens shown explicitly. For instance, the SMILES for water may be written as either O or. Hydrogen may be written as a separate atom; when brackets are used, the symbol H is added if the atom in brackets is bonded to one or more hydrogen, followed by the number of hydrogen atoms if greater than 1 by the sign + for a positive charge or by - for a negative charge. For example, for ammonium. If there is more than one charge, it is written as digit.