Hansen Solubility Parameters
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Hansen Solubility Parameters
Hansen solubility parameters were developed by Charles M. Hansen in his Ph.D thesis in 1967 as a way of predicting if one material will dissolve in another and form a solution. They are based on the idea that like dissolves like where one molecule is defined as being 'like' another if it bonds to itself in a similar way. Specifically, each molecule is given three Hansen parameters, each generally measured in MPa0.5: * \ \delta_\text The energy from dispersion forces between molecules * \ \delta_\text The energy from dipolar intermolecular forces between molecules * \ \delta_\text The energy from hydrogen bonds between molecules. These three parameters can be treated as co-ordinates for a point in three dimensions also known as the Hansen space. The nearer two molecules are in this three-dimensional space, the more likely they are to dissolve into each other. To determine if the parameters of two molecules (usually a solvent and a polymer) are within range, a value called interac ...
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Charles M
Charles is a masculine given name predominantly found in English and French speaking countries. It is from the French form ''Charles'' of the Proto-Germanic name (in runic alphabet) or ''*karilaz'' (in Latin alphabet), whose meaning was "free man". The Old English descendant of this word was '' Ċearl'' or ''Ċeorl'', as the name of King Cearl of Mercia, that disappeared after the Norman conquest of England. The name was notably borne by Charlemagne (Charles the Great), and was at the time Latinized as ''Karolus'' (as in ''Vita Karoli Magni''), later also as '' Carolus''. Etymology The name's etymology is a Common Germanic noun ''*karilaz'' meaning "free man", which survives in English as churl (James (wikt:Appendix:Proto-Indo-European/ǵerh₂-">ĝer-, where the ĝ is a palatal consonant, meaning "to rub; to be old; grain." An old man has been worn away and is now grey with age. In some Slavic languages, the name ''Drago (given name), Drago'' (and variants: ''Drago ...
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Quantum Dot
Quantum dots (QDs) or semiconductor nanocrystals are semiconductor particles a few nanometres in size with optical and electronic properties that differ from those of larger particles via quantum mechanical effects. They are a central topic in nanotechnology and materials science. When a quantum dot is illuminated by UV light, an electron in the quantum dot can be excited to a state of higher energy. In the case of a semiconducting quantum dot, this process corresponds to the transition of an electron from the valence band to the conduction band. The excited electron can drop back into the valence band releasing its energy as light. This light emission ( photoluminescence) is illustrated in the figure on the right. The color of that light depends on the energy difference between the discrete energy levels of the quantum dot in the conduction band and the valence band. In other words, a quantum dot can be defined as a structure on a semiconductor which is capable of confi ...
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Physical Chemistry
Physical chemistry is the study of macroscopic and microscopic phenomena in chemical systems in terms of the principles, practices, and concepts of physics such as motion, energy, force, time, thermodynamics, quantum chemistry, statistical mechanics, analytical dynamics and chemical equilibria. Physical chemistry, in contrast to chemical physics, is predominantly (but not always) a supra-molecular science, as the majority of the principles on which it was founded relate to the bulk rather than the molecular or atomic structure alone (for example, chemical equilibrium and colloids). Some of the relationships that physical chemistry strives to understand include the effects of: # Intermolecular forces that act upon the physical properties of materials ( plasticity, tensile strength, surface tension in liquids). # Reaction kinetics on the rate of a reaction. # The identity of ions and the electrical conductivity of materials. # Surface science and electrochemistry of cell m ...
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MOSCED
MOSCED (short for “modified separation of cohesive energy density" model) is a thermodynamic model for the estimation of limiting activity coefficients (also known as activity coefficient at infinite dilution). From a historical point of view MOSCED can be regarded as an improved modification of the Hansen method and the Hildebrand solubility model by adding higher interaction term such as polarity, induction and separation of hydrogen bonding terms. This allows the prediction of polar and associative compounds, which most solubility parameter models have been found to do poorly. In addition to making quantitative prediction, MOSCED can be used to understand fundamental molecular level interaction for intuitive solvent selection and formulation. In addition to infinite dilution, MOSCED can be used to parameterize excess Gibbs Free Energy model such as NRTL, WILSON, Mod-UNIFAC to map out Vapor Liquid Equilibria of mixture. This was demonstrated briefly by Schriber and Eckert us ...
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Solvent
A solvent (from the Latin language, Latin ''wikt:solvo#Latin, solvō'', "loosen, untie, solve") is a substance that dissolves a solute, resulting in a Solution (chemistry), solution. A solvent is usually a liquid but can also be a solid, a gas, or a supercritical fluid. Water is a solvent for Chemical polarity#Polarity of molecules, polar molecules, and the most common solvent used by living things; all the ions and proteins in a Cell (biology), cell are dissolved in water within the cell. Major uses of solvents are in paints, paint removers, inks, and dry cleaning. Specific uses for Organic compound, organic solvents are in dry cleaning (e.g. tetrachloroethylene); as paint thinners (toluene, turpentine); as nail polish removers and solvents of glue (acetone, methyl acetate, ethyl acetate); in spot removers (hexane, petrol ether); in detergents (D-limonene, citrus terpenes); and in perfumes (ethanol). Solvents find various applications in chemical, pharmaceutical, oil, and gas ...
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Nitroethane
Nitroethane is an organic compound having the chemical formula C2H5NO2. Similar in many regards to nitromethane, nitroethane is an oily liquid at standard temperature and pressure. Pure nitroethane is colorless and has a fruity odor. Preparation Nitroethane is produced industrially by treating propane with nitric acid at 350–450 °C. This exothermic reaction produces four industrially significant nitroalkanes: nitromethane, nitroethane, 1-nitropropane, and 2-Nitropropane, 2-nitropropane. The reaction involves free radicals, such as CH3CH2CH2O., which arise via homolysis of the corresponding nitrite ester. These alkoxy radicals are susceptible to C—C fragmentation reactions, which explains the formation of a mixture of products.Sheldon B. Markofsky “Nitro Compounds, Aliphatic” in ''Ullmann's Encyclopedia of Industrial Chemistry'', Wiley-VCH, Weinheim, 2002. . Alternatively, nitroethane can be produced by the Victor Meyer reaction of haloethanes such as chloroeth ...
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Butanol
Butanol (also called butyl alcohol) is a four-carbon alcohol with a formula of C4 H9 OH, which occurs in five isomeric structures (four structural isomers), from a straight-chain primary alcohol to a branched-chain tertiary alcohol; all are a butyl or isobutyl group linked to a hydroxyl group (sometimes represented as BuOH, ''sec''-BuOH, i-BuOH, and ''t''-BuOH). These are 1-butanol, two stereoisomers of ''sec''-butyl alcohol, isobutanol and ''tert''-butyl alcohol. Butanol is primarily used as a solvent and as an intermediate in chemical synthesis, and may be used as a fuel. Biologically produced butanol is called biobutanol, which may be ''n''-butanol or isobutanol. Isomers The unmodified term ''butanol'' usually refers to the straight chain isomer with the alcohol functional group at the terminal carbon, which is also known as 1-butanol. The straight chain isomer with the alcohol at an internal carbon is ''sec''-butyl alcohol or 2-butanol. The branched isomer with th ...
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Raoult's Law
Raoult's law ( law) is a relation of physical chemistry, with implications in thermodynamics. Proposed by French chemist François-Marie Raoult in 1887, it states that the partial pressure of each component of an ideal mixture of ''liquids'' is equal to the vapor pressure of the pure component (liquid or solid) multiplied by its mole fraction in the mixture. In consequence, the relative lowering of vapor pressure of a dilute solution of nonvolatile solute is equal to the mole fraction of solute in the solution. Mathematically, Raoult's law for a single component in an ideal solution is stated as : p_i = p_i^\star x_i where p_i is the partial pressure of the component i in the gaseous mixture above the solution, p_i^\star is the equilibrium vapor pressure of the pure component i, and x_i is the mole fraction of the component i in the liquid or solid solution. Where two volatile liquids A and B are mixed with each other to form a solution, the vapor phase consists of both compo ...
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Hildebrand Solubility Parameter
The Hildebrand solubility parameter (δ) provides a numerical estimate of the degree of interaction between materials and can be a good indication of solubility, particularly for nonpolar materials such as many polymers. Materials with similar values of δ are likely to be miscible. Definition The Hildebrand solubility parameter is the square root of the cohesive energy density: : \delta = \sqrt. The cohesive energy density is the amount of energy needed to completely remove a unit volume of molecules from their neighbours to infinite separation (an ideal gas). This is equal to the heat of vaporization of the compound divided by its molar volume in the condensed phase. In order for a material to dissolve, these same interactions need to be overcome, as the molecules are separated from each other and surrounded by the solvent. In 1936 Joel Henry Hildebrand suggested the square root of the cohesive energy density as a numerical value indicating solvency behavior. This later bec ...
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Diffusion
Diffusion is the net movement of anything (for example, atoms, ions, molecules, energy) generally from a region of higher concentration to a region of lower concentration. Diffusion is driven by a gradient in Gibbs free energy or chemical potential. It is possible to diffuse "uphill" from a region of lower concentration to a region of higher concentration, as in spinodal decomposition. Diffusion is a stochastic process due to the inherent randomness of the diffusing entity and can be used to model many real-life stochastic scenarios. Therefore, diffusion and the corresponding mathematical models are used in several fields beyond physics, such as statistics, probability theory, information theory, neural networks, finance, and marketing. The concept of diffusion is widely used in many fields, including physics (Molecular diffusion, particle diffusion), chemistry, biology, sociology, economics, statistics, data science, and finance (diffusion of people, ideas, data and price v ...
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Food Packaging
Food packaging is a packaging system specifically designed for food and represents one of the most important aspects among the processes involved in the food industry, as it provides protection from chemical, biological and physical alterations. The main goal of food packaging is to provide a practical means of protecting and delivering food goods at a reasonable cost while meeting the needs and expectations of both consumers and industries. Additionally, current trends like sustainability, environmental impact reduction, and shelf-life extension have gradually become among the most important aspects in designing a packaging system. History Packaging of food products has seen a vast transformation in technology usage and application from the Stone Age to the industrial revolution: 7000 BC: The adoption of pottery and glass, with widespread production beginning around 1500 BC. 1700s: The first manufacturing production of tinplate was introduced in England (1699) and in France ...
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Buckminsterfullerene
Buckminsterfullerene is a type of fullerene with the formula . It has a cage-like fused-ring structure ( truncated icosahedron) made of twenty hexagons and twelve pentagons, and resembles a football. Each of its 60 carbon atoms is bonded to its three neighbors. Buckminsterfullerene is a black solid that dissolves in hydrocarbon solvents to produce a violet solution. The substance was discovered in 1985 and has received intense study, although few real world applications have been found. Molecules of buckminsterfullerene (or of fullerenes in general) are commonly nicknamed buckyballs. Occurrence Buckminsterfullerene is the most common naturally occurring fullerene. Small quantities of it can be found in soot. It also exists in space. Neutral has been observed in planetary nebulae and several types of star. The ionised form, , has been identified in the interstellar medium, where it is the cause of several absorption features known as diffuse interstellar bands in the ...
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