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Born Equation
The Born equation can be used for estimating the electrostatic component of Gibbs free energy of solvation of an ion. It is an electrostatic model that treats the solvent as a continuous dielectric medium (it is thus one member of a class of methods known as continuum solvation methods). It was derived by Max Born. \Delta G =- \frac\left(1-\frac\right) where: *''N''A = Avogadro constant *''z'' = charge of ion *''e'' = elementary charge The elementary charge, usually denoted by is the electric charge carried by a single proton or, equivalently, the magnitude of the negative electric charge carried by a single electron, which has charge −1 . This elementary charge is a fundame ..., 1.6022 C *''ε''0 = permittivity of free space *''r''0 = effective radius of ion *''ε''r = dielectric constant of the solvent Derivation The energy U stored in an electrostatic field distribution is:U=\frac \varepsilon_0 \varepsilon_r \int , , ^2 dVKnowing the magnitude of th ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Gibbs Free Energy
In thermodynamics, the Gibbs free energy (or Gibbs energy; symbol G) is a thermodynamic potential that can be used to calculate the maximum amount of work that may be performed by a thermodynamically closed system at constant temperature and pressure. It also provides a necessary condition for processes such as chemical reactions that may occur under these conditions. The Gibbs free energy change , measured in joules in SI) is the ''maximum'' amount of non-expansion work that can be extracted from a closed system (one that can exchange heat and work with its surroundings, but not matter) at fixed temperature and pressure. This maximum can be attained only in a completely reversible process. When a system transforms reversibly from an initial state to a final state under these conditions, the decrease in Gibbs free energy equals the work done by the system to its surroundings, minus the work of the pressure forces. The Gibbs energy is the thermodynamic potential that is minim ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Solvation
Solvation (or dissolution) describes the interaction of a solvent with dissolved molecules. Both ionized and uncharged molecules interact strongly with a solvent, and the strength and nature of this interaction influence many properties of the solute, including solubility, reactivity, and color, as well as influencing the properties of the solvent such as its viscosity and density. If the attractive forces between the solvent and solute particles are greater than the attractive forces holding the solute particles together, the solvent particles pull the solute particles apart and surround them. The surrounded solute particles then move away from the solid solute and out into the solution. Ions are surrounded by a concentric shell of solvent. Solvation is the process of reorganizing solvent and solute molecules into solvation complexes and involves bond formation, hydrogen bonding, and van der Waals forces. Solvation of a solute by water is called hydration. Solubility of solid ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Continuum Solvation
Implicit solvation (sometimes termed continuum solvation) is a method to represent solvent as a continuous medium instead of individual “explicit” solvent molecules, most often used in molecular dynamics simulations and in other applications of molecular mechanics. The method is often applied to estimate free energy of solute-solvent interactions in structural and chemical processes, such as folding or conformational transitions of proteins, DNA, RNA, and polysaccharides, association of biological macromolecules with ligands, or transport of drugs across biological membranes. The implicit solvation model is justified in liquids, where the potential of mean force can be applied to approximate the averaged behavior of many highly dynamic solvent molecules. However, the interfaces and the interiors of biological membranes or proteins can also be considered as media with specific solvation or dielectric properties. These media are not necessarily uniform, since their properties ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Max Born
Max Born (; 11 December 1882 – 5 January 1970) was a German physicist and mathematician who was instrumental in the development of quantum mechanics. He also made contributions to solid-state physics and optics and supervised the work of a number of notable physicists in the 1920s and 1930s. Born won the 1954 Nobel Prize in Physics for his "fundamental research in quantum mechanics, especially in the statistical interpretation of the wave function". Born entered the University of Göttingen in 1904, where he met the three renowned mathematicians Felix Klein, David Hilbert, and Hermann Minkowski. He wrote his PhD thesis on the subject of "Stability of Elastica in a Plane and Space", winning the university's Philosophy Faculty Prize. In 1905, he began researching special relativity with Minkowski, and subsequently wrote his habilitation thesis on the Thomson model of the atom. A chance meeting with Fritz Haber in Berlin in 1918 led to discussion of how an ionic compound is ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Avogadro Constant
The Avogadro constant, commonly denoted or , is the proportionality factor that relates the number of constituent particles (usually molecules, atoms or ions) in a sample with the amount of substance in that sample. It is an SI defining constant with an exact value of . It is named after the Italian scientist Amedeo Avogadro by Stanislao Cannizzaro, who explained this number four years after Avogadro's death while at the Karlsruhe Congress in 1860. The numeric value of the Avogadro constant expressed in reciprocal moles, a dimensionless number, is called the Avogadro number. In older literature, the Avogadro number is denoted or , which is the number of particles that are contained in one mole, exactly . The Avogadro number is the approximate number of nucleons (protons or neutrons) in one gram of ordinary matter. The value of the Avogadro constant was chosen so that the mass of one mole of a chemical compound, in grams, is approximately the number of nucleons in one cons ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Elementary Charge
The elementary charge, usually denoted by is the electric charge carried by a single proton or, equivalently, the magnitude of the negative electric charge carried by a single electron, which has charge −1 . This elementary charge is a fundamental physical constant. In the SI system of units, the value of the elementary charge is exactly defined as e = coulombs, or 160.2176634 zeptocoulombs (zC). Since the 2019 redefinition of SI base units, the seven SI base units are defined by seven fundamental physical constants, of which the elementary charge is one. In the centimetre–gram–second system of units (CGS), the corresponding quantity is . Robert A. Millikan and Harvey Fletcher's oil drop experiment first directly measured the magnitude of the elementary charge in 1909, differing from the modern accepted value by just 0.6%. Under assumptions of the then-disputed atomic theory, the elementary charge had also been indirectly inferred to ~3% accuracy from bla ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Coulomb
The coulomb (symbol: C) is the unit of electric charge in the International System of Units (SI). In the present version of the SI it is equal to the electric charge delivered by a 1 ampere constant current in 1 second and to elementary charges, , (about ). Name and history By 1878, the British Association for the Advancement of Science had defined the volt, ohm, and farad, but not the coulomb. In 1881, the International Electrical Congress, now the International Electrotechnical Commission (IEC), approved the volt as the unit for electromotive force, the ampere as the unit for electric current, and the coulomb as the unit of electric charge. At that time, the volt was defined as the potential difference .e., what is nowadays called the "voltage (difference)"across a conductor when a current of one ampere dissipates one watt of power. The coulomb (later "absolute coulomb" or "abcoulomb" for disambiguation) was part of the EMU system of units. The "international coulo ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Permittivity Of Free Space
Vacuum permittivity, commonly denoted (pronounced "epsilon nought" or "epsilon zero"), is the value of the absolute dielectric permittivity of classical vacuum. It may also be referred to as the permittivity of free space, the electric constant, or the distributed capacitance of the vacuum. It is an ideal (baseline) physical constant. Its CODATA value is: : (farads per meter), with a relative uncertainty of It is a measure of how dense of an electric field is "permitted" to form in response to electric charges, and relates the units for electric charge to mechanical quantities such as length and force. For example, the force between two separated electric charges with spherical symmetry (in the vacuum of classical electromagnetism) is given by Coulomb's law: :F_\text = \frac \frac Here, ''q''1 and ''q''2 are the charges, ''r'' is the distance between their centres, and the value of the constant fraction 1/4 \pi \varepsilon_0 (known as the Coulomb constant, ''k''e) is a ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Ionic Radius
Ionic radius, ''r''ion, is the radius of a monatomic ion in an ionic crystal structure. Although neither atoms nor ions have sharp boundaries, they are treated as if they were hard spheres with radii such that the sum of ionic radii of the cation and anion gives the distance between the ions in a crystal lattice. Ionic radii are typically given in units of either picometers (pm) or angstroms (Å), with 1 Å = 100 pm. Typical values range from 31 pm (0.3 Å) to over 200 pm (2 Å). The concept can be extended to solvated ions in liquid solutions taking into consideration the solvation shell. Trends Ions may be larger or smaller than the neutral atom, depending on the ion's electric charge. When an atom loses an electron to form a cation, the other electrons are more attracted to the nucleus, and the radius of the ion gets smaller. Similarly, when an electron is added to an atom, forming an anion, the added electron increases the size of the e ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Enthalpy
Enthalpy , a property of a thermodynamic system, is the sum of the system's internal energy and the product of its pressure and volume. It is a state function used in many measurements in chemical, biological, and physical systems at a constant pressure, which is conveniently provided by the large ambient atmosphere. The pressure–volume term expresses the work required to establish the system's physical dimensions, i.e. to make room for it by displacing its surroundings. The pressure-volume term is very small for solids and liquids at common conditions, and fairly small for gases. Therefore, enthalpy is a stand-in for energy in chemical systems; bond, lattice, solvation and other "energies" in chemistry are actually enthalpy differences. As a state function, enthalpy depends only on the final configuration of internal energy, pressure, and volume, not on the path taken to achieve it. In the International System of Units (SI), the unit of measurement for enthalpy is the joule. ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
