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Isothermal–isobaric Ensemble
The isothermal–isobaric ensemble (constant temperature and constant pressure ensemble) is a statistical mechanical ensemble that maintains constant temperature T \, and constant pressure P \, applied. It is also called the NpT-ensemble, where the number of particles N \, is also kept as a constant. This ensemble plays an important role in chemistry as chemical reactions are usually carried out under constant pressure condition. The NPT ensemble is also useful for measuring the equation of state of model systems whose virial expansion for pressure cannot be evaluated, or systems near first-order phase transitions. In the ensemble, the probability of a microstate i is Z^e^, where Z is the partition function, E_i is the internal energy of the system in microstate i, and V_i is the volume of the system in microstate i. The probability of a macrostate is Z^e^ = Z^e^, where G is the Gibbs free energy. Derivation of key properties The partition function for the NpT-ensemble can be ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Statistical Ensemble (mathematical Physics)
In physics, specifically statistical mechanics, an ensemble (also statistical ensemble) is an idealization consisting of a large number of virtual copies (sometimes infinitely many) of a system, considered all at once, each of which represents a possible state that the real system might be in. In other words, a statistical ensemble is a set of systems of particles used in statistical mechanics to describe a single system. The concept of an ensemble was introduced by J. Willard Gibbs in 1902. A thermodynamic ensemble is a specific variety of statistical ensemble that, among other properties, is in statistical equilibrium (defined below), and is used to derive the properties of thermodynamic systems from the laws of classical or quantum mechanics. Physical considerations The ensemble formalises the notion that an experimenter repeating an experiment again and again under the same macroscopic conditions, but unable to control the microscopic details, may expect to observe a ran ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Thermodynamic Limit
In statistical mechanics, the thermodynamic limit or macroscopic limit, of a system is the Limit (mathematics), limit for a large number of particles (e.g., atoms or molecules) where the volume is taken to grow in proportion with the number of particles.S.J. Blundell and K.M. Blundell, "Concepts in Thermal Physics", Oxford University Press (2009) The thermodynamic limit is defined as the limit of a system with a large volume, with the particle density held fixed: : N \to \infty,\, V \to \infty,\, \frac N V =\text In this limit, macroscopic thermodynamics is valid. There, thermal fluctuations in global quantities are negligible, and all List of thermodynamic properties, thermodynamic quantities, such as pressure and energy, are simply functions of the thermodynamic variables, such as temperature and density. For example, for a large volume of gas, the fluctuations of the total internal energy are negligible and can be ignored, and the average internal energy can be predicted fro ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Molecular Physics (journal)
''Molecular Physics'' is a peer-reviewed scientific journal covering research on the interface between chemistry and physics, in particular chemical physics and physical chemistry. It covers both theoretical and experimental molecular science, including electronic structure, molecular dynamics, spectroscopy, reaction kinetics, statistical mechanics, condensed matter and surface science. The journal was established in 1958 and is published by Taylor & Francis. According to the ''Journal Citation Reports'', the journal has a 2021 impact factor of 1.937. The current editor-in-chief is Professor George Jackson (Imperial College London). A reprint of the first editorial and a full list of editors since its establishment can be found in the issue celebrating 50 years of the journal. Notable current and former editors * Christopher Longuet-Higgins (Founding Editor) * Joan van der Waals (Founding Editor) * John Shipley Rowlinson * A. David Buckingham * Lawrence D. Barron * Mart ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Excess Property
In chemical thermodynamics, excess properties are properties of mixtures which quantify the non- ideal behavior of real mixtures. They are defined as the difference between the value of the property in a real mixture and the value that would exist in an ideal solution under the same conditions. The most frequently used excess properties are the excess volume, excess enthalpy, and excess chemical potential. The excess volume (), internal energy (), and enthalpy () are identical to the corresponding mixing properties; that is, :\begin V^E &= \Delta V_\text \\ H^E &= \Delta H_\text \\ U^E &= \Delta U_\text \end These relationships hold because the volume, internal energy, and enthalpy changes of mixing are zero for an ideal solution. Definition By definition, excess properties are related to those of the ideal solution by: :z^E = z - z^\text Here, the superscript IS denotes the value in the ideal solution, a superscript E denotes the excess molar property, and z denotes th ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Equation Of State
In physics and chemistry, an equation of state is a thermodynamic equation relating state variables, which describe the state of matter under a given set of physical conditions, such as pressure, volume, temperature, or internal energy. Most modern equations of state are formulated in the Helmholtz free energy. Equations of state are useful in describing the properties of pure substances and mixtures in liquids, gases, and solid states as well as the state of matter in the interior of stars. Though there are many equations of state, none accurately predicts properties of substances under all conditions. The quest for a universal equation of state has spanned three centuries. Overview At present, there is no single equation of state that accurately predicts the properties of all substances under all conditions. An example of an equation of state correlates densities of gases and liquids to temperatures and pressures, known as the ideal gas law, which is roughly accurate ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Helmholtz Free Energy
In thermodynamics, the Helmholtz free energy (or Helmholtz energy) is a thermodynamic potential that measures the useful work obtainable from a closed thermodynamic system at a constant temperature ( isothermal). The change in the Helmholtz energy during a process is equal to the maximum amount of work that the system can perform in a thermodynamic process in which temperature is held constant. At constant temperature, the Helmholtz free energy is minimized at equilibrium. In contrast, the Gibbs free energy or free enthalpy is most commonly used as a measure of thermodynamic potential (especially in chemistry) when it is convenient for applications that occur at constant ''pressure''. For example, in explosives research Helmholtz free energy is often used, since explosive reactions by their nature induce pressure changes. It is also frequently used to define fundamental equations of state of pure substances. The concept of free energy was developed by Hermann von Helmholtz, ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Thermodynamic Potential
Thermodynamics is a branch of physics that deals with heat, Work (thermodynamics), work, and temperature, and their relation to energy, entropy, and the physical properties of matter and radiation. The behavior of these quantities is governed by the four laws of thermodynamics, which convey a quantitative description using measurable macroscopic physical quantity, physical quantities but may be explained in terms of microscopic constituents by statistical mechanics. Thermodynamics applies to various topics in science and engineering, especially physical chemistry, biochemistry, chemical engineering, and mechanical engineering, as well as other complex fields such as meteorology. Historically, thermodynamics developed out of a desire to increase the thermodynamic efficiency, efficiency of early steam engines, particularly through the work of French physicist Nicolas Léonard Sadi Carnot, Sadi Carnot (1824) who believed that engine efficiency was the key that could help France win ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Gaussian Integral
The Gaussian integral, also known as the Euler–Poisson integral, is the integral of the Gaussian function f(x) = e^ over the entire real line. Named after the German mathematician Carl Friedrich Gauss, the integral is \int_^\infty e^\,dx = \sqrt. Abraham de Moivre originally discovered this type of integral in 1733, while Gauss published the precise integral in 1809, attributing its discovery to Laplace. The integral has a wide range of applications. For example, with a slight change of variables it is used to compute the normalizing constant of the normal distribution. The same integral with finite limits is closely related to both the error function and the cumulative distribution function of the normal distribution. In physics this type of integral appears frequently, for example, in quantum mechanics, to find the probability density of the ground state of the harmonic oscillator. This integral is also used in the path integral formulation, to find the propagator of the h ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Identical Particles
In quantum mechanics, indistinguishable particles (also called identical or indiscernible particles) are particles that cannot be distinguished from one another, even in principle. Species of identical particles include, but are not limited to, elementary particles (such as electrons), composite subatomic particles (such as atomic nuclei), as well as atoms and molecules. Although all known indistinguishable particles only exist at the quantum scale, there is no exhaustive list of all possible sorts of particles nor a clear-cut limit of applicability, as explored in quantum statistics. They were first discussed by Werner Heisenberg and Paul Dirac in 1926. There are two main categories of identical particles: bosons, which can share quantum states, and fermions, which cannot (as described by the Pauli exclusion principle). Examples of bosons are photons, gluons, phonons, helium-4 nuclei and all mesons. Examples of fermions are electrons, neutrinos, quarks, protons, neutrons, an ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Phase Space
The phase space of a physical system is the set of all possible physical states of the system when described by a given parameterization. Each possible state corresponds uniquely to a point in the phase space. For mechanical systems, the phase space usually consists of all possible values of the position and momentum parameters. It is the direct product of direct space and reciprocal space. The concept of phase space was developed in the late 19th century by Ludwig Boltzmann, Henri Poincaré, and Josiah Willard Gibbs. Principles In a phase space, every degree of freedom or parameter of the system is represented as an axis of a multidimensional space; a one-dimensional system is called a phase line, while a two-dimensional system is called a phase plane. For every possible state of the system or allowed combination of values of the system's parameters, a point is included in the multidimensional space. The system's evolving state over time traces a path (a phase-spac ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Boltzmann Distribution
In statistical mechanics and mathematics, a Boltzmann distribution (also called Gibbs distribution Translated by J.B. Sykes and M.J. Kearsley. See section 28) is a probability distribution or probability measure that gives the probability that a system will be in a certain state as a function of that state's energy and the temperature of the system. The distribution is expressed in the form: :p_i \propto \exp\left(- \frac \right) where is the probability of the system being in state , is the exponential function, is the energy of that state, and a constant of the distribution is the product of the Boltzmann constant and thermodynamic temperature . The symbol \propto denotes proportionality (see for the proportionality constant). The term ''system'' here has a wide meaning; it can range from a collection of 'sufficient number' of atoms or a single atom to a macroscopic system such as a natural gas storage tank. Therefore, the Boltzmann distribution can be used to sol ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Cambridge University Press
Cambridge University Press was the university press of the University of Cambridge. Granted a letters patent by King Henry VIII in 1534, it was the oldest university press in the world. Cambridge University Press merged with Cambridge Assessment to form Cambridge University Press and Assessment under Queen Elizabeth II's approval in August 2021. With a global sales presence, publishing hubs, and offices in more than 40 countries, it published over 50,000 titles by authors from over 100 countries. Its publications include more than 420 academic journals, monographs, reference works, school and university textbooks, and English language teaching and learning publications. It also published Bibles, runs a bookshop in Cambridge, sells through Amazon, and has a conference venues business in Cambridge at the Pitt Building and the Sir Geoffrey Cass Sports and Social Centre. It also served as the King's Printer. Cambridge University Press, as part of the University of Cambridge, was a ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
