Irreversible processIn science, a process that is not reversible is called irreversible. This concept arises frequently in thermodynamics. All complex natural processes are irreversible, although a phase transition at the coexistence temperature (e.g. melting of ice cubes in water) is well approximated as reversible. In thermodynamics, a change in the thermodynamic state of a system and all of its surroundings cannot be precisely restored to its initial state by infinitesimal changes in some property of the system without expenditure of energy.
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.
Min-entropyThe min-entropy, in information theory, is the smallest of the Rényi family of entropies, corresponding to the most conservative way of measuring the unpredictability of a set of outcomes, as the negative logarithm of the probability of the most likely outcome. The various Rényi entropies are all equal for a uniform distribution, but measure the unpredictability of a nonuniform distribution in different ways.
Binary entropy functionIn information theory, the binary entropy function, denoted or , is defined as the entropy of a Bernoulli process with probability of one of two values. It is a special case of , the entropy function. Mathematically, the Bernoulli trial is modelled as a random variable that can take on only two values: 0 and 1, which are mutually exclusive and exhaustive. If , then and the entropy of (in shannons) is given by where is taken to be 0. The logarithms in this formula are usually taken (as shown in the graph) to the base 2.
Quasistatic processIn thermodynamics, a quasi-static process (also known as a quasi-equilibrium process.the Latin quasi, meaning ‘as if’), is a thermodynamic process that happens slowly enough for the system to remain in internal physical (but not necessarily chemical) thermodynamic equilibrium. An example of this is quasi-static expansion of a mixture of hydrogen and oxygen gas, where the volume of the system changes so slowly that the pressure remains uniform throughout the system at each instant of time during the process.
Non-equilibrium thermodynamicsNon-equilibrium thermodynamics is a branch of thermodynamics that deals with physical systems that are not in thermodynamic equilibrium but can be described in terms of macroscopic quantities (non-equilibrium state variables) that represent an extrapolation of the variables used to specify the system in thermodynamic equilibrium. Non-equilibrium thermodynamics is concerned with transport processes and with the rates of chemical reactions.
Entropy estimationIn various science/engineering applications, such as independent component analysis, , genetic analysis, speech recognition, manifold learning, and time delay estimation it is useful to estimate the differential entropy of a system or process, given some observations. The simplest and most common approach uses histogram-based estimation, but other approaches have been developed and used, each with its own benefits and drawbacks.
Conditional entropyIn information theory, the conditional entropy quantifies the amount of information needed to describe the outcome of a random variable given that the value of another random variable is known. Here, information is measured in shannons, nats, or hartleys. The entropy of conditioned on is written as . The conditional entropy of given is defined as where and denote the support sets of and . Note: Here, the convention is that the expression should be treated as being equal to zero. This is because .
Reaction mechanismIn chemistry, a reaction mechanism is the step by step sequence of elementary reactions by which overall chemical reaction occurs. A chemical mechanism is a theoretical conjecture that tries to describe in detail what takes place at each stage of an overall chemical reaction. The detailed steps of a reaction are not observable in most cases. The conjectured mechanism is chosen because it is thermodynamically feasible and has experimental support in isolated intermediates (see next section) or other quantitative and qualitative characteristics of the reaction.
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 .
Chemical thermodynamicsChemical 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. The structure of chemical thermodynamics is based on the first two laws of thermodynamics.
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.
