Time reversibilityA mathematical or physical process is time-reversible if the dynamics of the process remain well-defined when the sequence of time-states is reversed. A deterministic process is time-reversible if the time-reversed process satisfies the same dynamic equations as the original process; in other words, the equations are invariant or symmetrical under a change in the sign of time. A stochastic process is reversible if the statistical properties of the process are the same as the statistical properties for time-reversed data from the same process.
Helmholtz free energyIn 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.
EnthalpyEnthalpy ˈɛnθəlpi, 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.
Spontaneous processIn thermodynamics, a spontaneous process is a process which occurs without any external input to the system. A more technical definition is the time-evolution of a system in which it releases free energy and it moves to a lower, more thermodynamically stable energy state (closer to thermodynamic equilibrium). The sign convention for free energy change follows the general convention for thermodynamic measurements, in which a release of free energy from the system corresponds to a negative change in the free energy of the system and a positive change in the free energy of the surroundings.
Chemical kineticsChemical kinetics, also known as reaction kinetics, is the branch of physical chemistry that is concerned with understanding the rates of chemical reactions. It is different from chemical thermodynamics, which deals with the direction in which a reaction occurs but in itself tells nothing about its rate. Chemical kinetics includes investigations of how experimental conditions influence the speed of a chemical reaction and yield information about the reaction's mechanism and transition states, as well as the construction of mathematical models that also can describe the characteristics of a chemical reaction.
DissipationIn thermodynamics, dissipation is the result of an irreversible process that affects a thermodynamic system. In a dissipative process, energy (internal, bulk flow kinetic, or system potential) transforms from an initial form to a final form, where the capacity of the final form to do thermodynamic work is less than that of the initial form. For example, transfer of energy as heat is dissipative because it is a transfer of energy other than by thermodynamic work or by transfer of matter, and spreads previously concentrated energy.
Thermodynamic databases for pure substancesThermodynamic 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 (1 atm), or 100 kPa (1 bar). Both of these definitions for the standard condition for pressure are in use.
Rényi entropyIn information theory, the Rényi entropy is a quantity that generalizes various notions of entropy, including Hartley entropy, Shannon entropy, collision entropy, and min-entropy. The Rényi entropy is named after Alfréd Rényi, who looked for the most general way to quantify information while preserving additivity for independent events. In the context of fractal dimension estimation, the Rényi entropy forms the basis of the concept of generalized dimensions. The Rényi entropy is important in ecology and statistics as index of diversity.
Entropy (statistical thermodynamics)The concept entropy was first developed by German physicist Rudolf Clausius in the mid-nineteenth century as a thermodynamic property that predicts that certain spontaneous processes are irreversible or impossible. In statistical mechanics, entropy is formulated as a statistical property using probability theory. The statistical entropy perspective was introduced in 1870 by Austrian physicist Ludwig Boltzmann, who established a new field of physics that provided the descriptive linkage between the macroscopic observation of nature and the microscopic view based on the rigorous treatment of large ensembles of microstates that constitute thermodynamic systems.
Entropy (information theory)In information theory, the entropy of a random variable is the average level of "information", "surprise", or "uncertainty" inherent to the variable's possible outcomes. Given a discrete random variable , which takes values in the alphabet and is distributed according to : where denotes the sum over the variable's possible values. The choice of base for , the logarithm, varies for different applications. Base 2 gives the unit of bits (or "shannons"), while base e gives "natural units" nat, and base 10 gives units of "dits", "bans", or "hartleys".
Cross-entropyIn information theory, the cross-entropy between two probability distributions and over the same underlying set of events measures the average number of bits needed to identify an event drawn from the set if a coding scheme used for the set is optimized for an estimated probability distribution , rather than the true distribution . The cross-entropy of the distribution relative to a distribution over a given set is defined as follows: where is the expected value operator with respect to the distribution .
Entropy (classical thermodynamics)In classical thermodynamics, entropy () is a property of a thermodynamic system that expresses the direction or outcome of spontaneous changes in the system. The term was introduced by Rudolf Clausius in the mid-19th century to explain the relationship of the internal energy that is available or unavailable for transformations in form of heat and work. Entropy predicts that certain processes are irreversible or impossible, despite not violating the conservation of energy.
