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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). The equation was derived by Max Born. \Delta G =- \frac\left(1-\frac\right) where: * ''N''A = Avogadro constant * ''z'' = charge of ion * ''e'' = elementary charge, 1.6022 C * ''ε''0 = 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 const ... * ''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_\text \int , , ^2 dVKnowin ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Gibbs Free Energy
In thermodynamics, the Gibbs free energy (or Gibbs energy as the recommended name; symbol is a thermodynamic potential that can be used to calculate the maximum amount of Work (thermodynamics), work, other than Work (thermodynamics)#Pressure–volume work, pressure–volume work, that may be performed by a closed system, 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 is expressed as G(p,T) = U + pV - TS = H - TS where: * U is the internal energy of the system * H is the enthalpy of the system * S is the entropy of the system * T is the temperature of the system * V is the volume of the system * p is the pressure of the system (which must be equal to that of the surroundings for mechanical equilibrium). The Gibbs free energy change (, measured in joules in International System of Units, SI) is the ''maximum'' amount of ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Solvation
Solvations 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 compounds dep ... [...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-British theoretical physicist 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 shared the 1954 Nobel Prize in Physics with Walther Bothe "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 the stability of elastic wires and tapes, 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 io ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Avogadro Constant
The Avogadro constant, commonly denoted or , is an SI defining constant with an exact value of when expressed in reciprocal moles. It defines the ratio of the number of constituent particles to the amount of substance in a sample, where the particles in question are any designated elementary entity, such as molecules, atoms, ions, ion pairs. The numerical value of this constant is known as the Avogadro number, commonly denoted . The Avogadro ''number'' is an exact number equal to the number of constituent particles in one mole of any substance (by definition of the mole), historically derived from the experimental determination of the number of atoms in 12 grams of carbon-12 (12C) before the 2019 revision of the SI. Both the constant and the number are named after the Italian physicist and chemist Amedeo Avogadro. The Avogadro constant is used as a proportionality factor in relating the ''amount of substance'' , in a sample of a substance , to the corresponding n ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Elementary Charge
The elementary charge, usually denoted by , is a fundamental physical constant, defined as the electric charge carried by a single proton (+1 ''e'') or, equivalently, the magnitude of the negative electric charge carried by a single electron, which has charge −1 . In SI units, the coulomb is defined such that the value of the elementary charge is exactly or 160.2176634 zeptocoulombs (zC). Since the 2019 revision of the SI, the seven SI base units are defined in terms of 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 blackb ... [...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). It is defined to be equal to the electric charge delivered by a 1 ampere current in 1 second, with the elementary charge ''e'' as a defining constant in the SI. Definition The SI defines the coulomb as "the quantity of electricity carried in 1 second by a current of 1 ampere" by fixing the value of the elementary charge, . Inverting the relationship, the coulomb can be expressed in terms of the elementary charge: 1 ~ \mathrm = \frac = \frac ~ e. It is approximately and is thus not an integer multiple of the elementary charge. The coulomb was previously defined in terms of the ampere based on the force between two wires, as . The 2019 redefinition of the ampere and other SI base units fixed the numerical value of the elementary charge when expressed in coulombs and therefore fixed the value of the coulomb when expressed as a multiple of the fundamental charge. SI pref ... [...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: 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/(4π''ε''0) is approximately . Likewise, ''ε''0 appears in Maxwell's equations, which describe the properties of elect ... [...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 o ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Electric Potential Energy
Electric potential energy is a potential energy (measured in joules) that results from conservative Coulomb forces and is associated with the configuration of a particular set of point charges within a defined system. An ''object'' may be said to have electric potential energy by virtue of either its own electric charge or its relative position to other electrically charged ''objects''. The term "electric potential energy" is used to describe the potential energy in systems with time-variant electric fields, while the term "electrostatic potential energy" is used to describe the potential energy in systems with time-invariant electric fields. Definition The electric potential energy of a system of point charges is defined as the work required to assemble this system of charges by bringing them close together, as in the system from an infinite distance. Alternatively, the electric potential energy of any given charge or system of charges is termed as the total work done by ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Enthalpy
Enthalpy () is the sum of a thermodynamic system's internal energy and the product of its pressure and volume. It is a state function in thermodynamics used in many measurements in chemical, biological, and physical systems at a constant external pressure, which is conveniently provided by the large ambient atmosphere. The pressure–volume term expresses the work (physics), work W that was done against constant external pressure P_\text to establish the system's physical dimensions from V_\text=0 to some final volume V_\text (as W=P_\text\Delta V), 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 energy, bond, Lattice energy, lattice, solvation, and other chemical "energies" are actually enthalpy differences. As a state function, enthalpy depends only on the final configuration of internal e ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
