MolecularityIn chemistry, molecularity is the number of molecules that come together to react in an elementary (single-step) reaction and is equal to the sum of stoichiometric coefficients of reactants in the elementary reaction with effective collision (sufficient energy) and correct orientation. Depending on how many molecules come together, a reaction can be unimolecular, bimolecular or even trimolecular. The kinetic order of any elementary reaction or reaction step is equal to its molecularity, and the rate equation of an elementary reaction can therefore be determined by inspection, from the molecularity.
Homogeneous differential equationA differential equation can be homogeneous in either of two respects. A first order differential equation is said to be homogeneous if it may be written where f and g are homogeneous functions of the same degree of x and y. In this case, the change of variable y = ux leads to an equation of the form which is easy to solve by integration of the two members. Otherwise, a differential equation is homogeneous if it is a homogeneous function of the unknown function and its derivatives.
Elementary reactionAn elementary reaction is a chemical reaction in which one or more chemical species react directly to form products in a single reaction step and with a single transition state. In practice, a reaction is assumed to be elementary if no reaction intermediates have been detected or need to be postulated to describe the reaction on a molecular scale. An apparently elementary reaction may be in fact a stepwise reaction, i.e. a complicated sequence of chemical reactions, with reaction intermediates of variable lifetimes.
Numerical methods for ordinary differential equationsNumerical methods for ordinary differential equations are methods used to find numerical approximations to the solutions of ordinary differential equations (ODEs). Their use is also known as "numerical integration", although this term can also refer to the computation of integrals. Many differential equations cannot be solved exactly. For practical purposes, however – such as in engineering – a numeric approximation to the solution is often sufficient. The algorithms studied here can be used to compute such an approximation.
Lindemann mechanismIn chemical kinetics, the Lindemann mechanism (also called the Lindemann–Christiansen mechanism or the Lindemann–Hinshelwood mechanism) is a schematic reaction mechanism for unimolecular reactions. Frederick Lindemann and J. A. Christiansen proposed the concept almost simultaneously in 1921, and Cyril Hinshelwood developed it to take into account the energy distributed among vibrational degrees of freedom for some reaction steps. It breaks down an apparently unimolecular reaction into two elementary steps, with a rate constant for each elementary step.
Chemical reactionA chemical reaction is a process that leads to the chemical transformation of one set of chemical substances to another. Classically, chemical reactions encompass changes that only involve the positions of electrons in the forming and breaking of chemical bonds between atoms, with no change to the nuclei (no change to the elements present), and can often be described by a chemical equation. Nuclear chemistry is a sub-discipline of chemistry that involves the chemical reactions of unstable and radioactive elements where both electronic and nuclear changes can occur.
Stochastic differential equationA stochastic differential equation (SDE) is a differential equation in which one or more of the terms is a stochastic process, resulting in a solution which is also a stochastic process. SDEs have many applications throughout pure mathematics and are used to model various behaviours of stochastic models such as stock prices, random growth models or physical systems that are subjected to thermal fluctuations. SDEs have a random differential that is in the most basic case random white noise calculated as the derivative of a Brownian motion or more generally a semimartingale.
Reaction rate constantIn chemical kinetics, a reaction rate constant or reaction rate coefficient (k) is a proportionality constant which quantifies the rate and direction of a chemical reaction by relating it with the concentration of reactants. For a reaction between reactants A and B to form a product C, where A and B are reactants C is a product a, b, and c are stoichiometric coefficients, the reaction rate is often found to have the form: Here k is the reaction rate constant that depends on temperature, and [A] and [B] are the molar concentrations of substances A and B in moles per unit volume of solution, assuming the reaction is taking place throughout the volume of the solution.
Dirac measureIn mathematics, a Dirac measure assigns a size to a set based solely on whether it contains a fixed element x or not. It is one way of formalizing the idea of the Dirac delta function, an important tool in physics and other technical fields. A Dirac measure is a measure δx on a set X (with any σ-algebra of subsets of X) defined for a given x ∈ X and any (measurable) set A ⊆ X by where 1A is the indicator function of A. The Dirac measure is a probability measure, and in terms of probability it represents the almost sure outcome x in the sample space X.
Dirac combIn mathematics, a Dirac comb (also known as sha function, impulse train or sampling function) is a periodic function with the formula for some given period . Here t is a real variable and the sum extends over all integers k. The Dirac delta function and the Dirac comb are tempered distributions. The graph of the function resembles a comb (with the s as the comb's teeth), hence its name and the use of the comb-like Cyrillic letter sha (Ш) to denote the function. The symbol , where the period is omitted, represents a Dirac comb of unit period.
Heaviside step functionThe Heaviside step function, or the unit step function, usually denoted by H or θ (but sometimes u, 1 or ), is a step function named after Oliver Heaviside, the value of which is zero for negative arguments and one for positive arguments. It is an example of the general class of step functions, all of which can be represented as linear combinations of translations of this one. The function was originally developed in operational calculus for the solution of differential equations, where it represents a signal that switches on at a specified time and stays switched on indefinitely.
Rectangular functionThe rectangular function (also known as the rectangle function, rect function, Pi function, Heaviside Pi function, gate function, unit pulse, or the normalized boxcar function) is defined as Alternative definitions of the function define to be 0, 1, or undefined. Its periodic version is called a rectangular wave. The rect function has been introduced by Woodward in as an ideal cutout operator, together with the sinc function as an ideal interpolation operator, and their counter operations which are sampling (comb operator) and replicating (rep operator), respectively.
Elimination reactionAn elimination reaction is a type of organic reaction in which two substituents are removed from a molecule in either a one- or two-step mechanism. The one-step mechanism is known as the E2 reaction, and the two-step mechanism is known as the E1 reaction. The numbers refer not to the number of steps in the mechanism, but rather to the kinetics of the reaction: E2 is bimolecular (second-order) while E1 is unimolecular (first-order). In cases where the molecule is able to stabilize an anion but possesses a poor leaving group, a third type of reaction, E1CB, exists.
Kronecker deltaIn mathematics, the Kronecker delta (named after Leopold Kronecker) is a function of two variables, usually just non-negative integers. The function is 1 if the variables are equal, and 0 otherwise: or with use of Iverson brackets: For example, because , whereas because . The Kronecker delta appears naturally in many areas of mathematics, physics, engineering and computer science, as a means of compactly expressing its definition above.
Dirac equationIn particle physics, the Dirac equation is a relativistic wave equation derived by British physicist Paul Dirac in 1928. In its free form, or including electromagnetic interactions, it describes all spin- massive particles, called "Dirac particles", such as electrons and quarks for which parity is a symmetry. It is consistent with both the principles of quantum mechanics and the theory of special relativity, and was the first theory to account fully for special relativity in the context of quantum mechanics.
Laplace's equationIn mathematics and physics, Laplace's equation is a second-order partial differential equation named after Pierre-Simon Laplace, who first studied its properties. This is often written as or where is the Laplace operator, is the divergence operator (also symbolized "div"), is the gradient operator (also symbolized "grad"), and is a twice-differentiable real-valued function. The Laplace operator therefore maps a scalar function to another scalar function.
Integral transformIn mathematics, an integral transform maps a function from its original function space into another function space via integration, where some of the properties of the original function might be more easily characterized and manipulated than in the original function space. The transformed function can generally be mapped back to the original function space using the inverse transform. An integral transform is any transform of the following form: The input of this transform is a function , and the output is another function .
Paul DiracPaul Adrien Maurice Dirac (dɪˈræk; 8 August 1902 – 20 October 1984) was an English theoretical physicist who is considered to be one of the founders of quantum mechanics and quantum electrodynamics. He was the Lucasian Professor of Mathematics at the University of Cambridge, a professor of physics at Florida State University and the University of Miami, and a 1933 Nobel Prize in Physics recipient. Dirac made fundamental contributions to the early development of both quantum mechanics and quantum electrodynamics.
Laplace transformIn mathematics, the 'Laplace transform, named after its discoverer Pierre-Simon Laplace (ləˈplɑ:s), is an integral transform that converts a function of a real variable (usually , in the time domain) to a function of a complex variable (in the complex frequency domain, also known as s-domain', or s-plane). The transform has many applications in science and engineering because it is a tool for solving differential equations. In particular, it transforms ordinary differential equations into algebraic equations and convolution into multiplication.
Dirac delta functionIn mathematical physics, the Dirac delta distribution (δ distribution), also known as the unit impulse, is a generalized function or distribution over the real numbers, whose value is zero everywhere except at zero, and whose integral over the entire real line is equal to one. The current understanding of the unit impulse is as a linear functional that maps every continuous function (e.g., ) to its value at zero of its domain (), or as the weak limit of a sequence of bump functions (e.g.
