Chemical thermodynamics is the study of the interrelation of heat and work with chemical reactions or with physical changes of state within the confines of the laws of thermodynamics. Chemical thermodynamics involves not only laboratory measurements of various thermodynamic properties, but also the application of mathematical methods to the study of chemical questions and the spontaneity of processes.
In mathematics, an equation is a mathematical formula that expresses the equality of two expressions, by connecting them with the equals sign =. The word equation and its cognates in other languages may have subtly different meanings; for example, in French an équation is defined as containing one or more variables, while in English, any well-formed formula consisting of two expressions related with an equals sign is an equation.
Entropy is a scientific concept that is most commonly associated with a state of disorder, randomness, or uncertainty. The term and the concept are used in diverse fields, from classical thermodynamics, where it was first recognized, to the microscopic description of nature in statistical physics, and to the principles of information theory. It has found far-ranging applications in chemistry and physics, in biological systems and their relation to life, in cosmology, economics, sociology, weather science, climate change, and information systems including the transmission of information in telecommunication.
Numerical analysis is the study of algorithms that use numerical approximation for the problems of mathematical analysis. It is the study of numerical methods that attempt to find approximate solutions of problems rather than the exact ones. Numerical analysis finds application in all fields of engineering and the physical sciences, and in the 21st century also the life and social sciences, medicine, business and even the arts. Current growth in computing power has enabled the use of more complex numerical analysis, providing detailed and realistic mathematical models in science and engineering. Examples of numerical analysis include: ordinary differential equations as found in celestial mechanics, numerical linear algebra in data analysis, and stochastic differential equations and Markov chains for simulating living cells in medicine and biology.
In physics, statistical mechanics is a mathematical framework that applies statistical methods and probability theory to large assemblies of microscopic entities. It does not assume or postulate any natural laws, but explains the macroscopic behavior of nature from the behavior of such ensembles.
Thermodynamics is a branch of physics that deals with heat, 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 quantities, but may be explained in terms of microscopic constituents by statistical mechanics. Thermodynamics applies to a wide variety of topics in science and engineering, especially physical chemistry, biochemistry, chemical engineering and mechanical engineering, but also in other complex fields such as meteorology.
A thermodynamic potential is a scalar quantity used to represent the thermodynamic state of a system. Just as in mechanics, where potential energy is defined as capacity to do work, similarly different potentials have different meanings. The concept of thermodynamic potentials was introduced by Pierre Duhem in 1886. Josiah Willard Gibbs in his papers used the term fundamental functions.
Computational fluid dynamics (CFD) is a branch of fluid mechanics that uses numerical analysis and data structures to analyze and solve problems that involve fluid flows. Computers are used to perform the calculations required to simulate the free-stream flow of the fluid, and the interaction of the fluid with surfaces defined by boundary conditions. With high-speed supercomputers, better solutions can be achieved, and are often required to solve the largest and most complex problems. Ongoing research yields software that improves the accuracy and speed of complex simulation scenarios such as transonic or turbulent flows. Initial validation of such software is typically performed using experimental apparatus such as wind tunnels. In addition, previously performed analytical or empirical analysis of a particular problem can be used for comparison. A final validation is often performed using full-scale testing, such as flight tests.
The internal energy of a thermodynamic system is the energy contained within it, measured as the quantity of energy necessary to bring the system from its standard internal state to its present internal state of interest, accounting for the gains and losses of energy due to changes in its internal state, including such quantities as magnetization. It excludes the kinetic energy of motion of the system as a whole and the potential energy of position of the system as a whole, with respect to its surroundings and external force fields. It includes the thermal energy, i.e., the constituent particles' kinetic energies of motion relative to the motion of the system as a whole. The internal energy of an isolated system cannot change, as expressed in the law of conservation of energy, a foundation of the first law of thermodynamics.
In the thermodynamics of equilibrium, a state function, function of state, or point function for a thermodynamic system is a mathematical function relating several state variables or state quantities that depend only on the current equilibrium thermodynamic state of the system, not the path which the system has taken to reach that state. A state function describes equilibrium states of a system, thus also describing the type of system. A state variable is typically a state function so the determination of other state variable values at an equilibrium state also determines the value of the state variable as the state function at that state. The ideal gas law is a good example. In this law, one state variable is a function of other state variables so is regarded as a state function. A state function could also describe the number of a certain type of atoms or molecules in a gaseous, liquid, or solid form in a heterogeneous or homogeneous mixture, or the amount of energy required to create such a system or change the system into a different equilibrium state.
A thermodynamic system is a body of matter and/or radiation separate from its surroundings that can be studied using the laws of thermodynamics.
TK Solver is a mathematical modeling and problem solving software system based on a declarative, rule-based language, commercialized by Universal Technical Systems, Inc.
Thermodynamics is expressed by a mathematical framework of thermodynamic equations which relate various thermodynamic quantities and physical properties measured in a laboratory or production process. Thermodynamics is based on a fundamental set of postulates, that became the laws of thermodynamics.
Thermodynamic work is one of the principal processes by which a thermodynamic system can interact with its surroundings and exchange energy. This exchange results in externally measurable macroscopic forces on the system's surroundings, which can cause mechanical work, to lift a weight, for example, or cause changes in electromagnetic, or gravitational variables. The surroundings also can perform work on a thermodynamic system, which is measured by an opposite sign convention.
Thermodynamic databases contain information about thermodynamic properties for substances, the most important being enthalpy, entropy, and Gibbs free energy. Numerical values of these thermodynamic properties are collected as tables or are calculated from thermodynamic datafiles. Data is expressed as temperature-dependent values for one mole of substance at the standard pressure of 101.325 kPa, or 100 kPa. Both of these definitions for the standard condition for pressure are in use.
The state postulate is a term used in thermodynamics that defines the given number of properties to a thermodynamic system in a state of equilibrium. It is also sometimes referred to as the state principle. The state postulate allows a finite number of properties to be specified in order to fully describe a state of thermodynamic equilibrium. Once the state postulate is given the other unspecified properties must assume certain values.
Geochemical modeling or theoretical geochemistry is the practice of using chemical thermodynamics, chemical kinetics, or both, to analyze the chemical reactions that affect geologic systems, commonly with the aid of a computer. It is used in high-temperature geochemistry to simulate reactions occurring deep in the Earth's interior, in magma, for instance, or to model low-temperature reactions in aqueous solutions near the Earth's surface, the subject of this article.
The CAPE-OPEN Interface Standard consists of a series of specifications to expand the range of application of process simulation technologies. The CAPE-OPEN specifications define a set of software interfaces that allow plug and play inter-operability between a given Process Modelling Environment and a third-party Process Modelling Component.
The proper generalized decomposition (PGD) is an iterative numerical method for solving boundary value problems (BVPs), that is, partial differential equations constrained by a set of boundary conditions, such as the Poisson's equation or the Laplace's equation.
This glossary of computer science is a list of definitions of terms and concepts used in computer science, its sub-disciplines, and related fields, including terms relevant to software, data science, and computer programming.
