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.
Numerical stabilityIn the mathematical subfield of numerical analysis, numerical stability is a generally desirable property of numerical algorithms. The precise definition of stability depends on the context. One is numerical linear algebra and the other is algorithms for solving ordinary and partial differential equations by discrete approximation. In numerical linear algebra, the principal concern is instabilities caused by proximity to singularities of various kinds, such as very small or nearly colliding eigenvalues.
Vadose zoneThe vadose zone, also termed the unsaturated zone, is the part of Earth between the land surface and the top of the phreatic zone, the position at which the groundwater (the water in the soil's pores) is at atmospheric pressure ("vadose" is from the Latin word for "shallow"). Hence, the vadose zone extends from the top of the ground surface to the water table. Water in the vadose zone has a pressure head less than atmospheric pressure, and is retained by a combination of adhesion (funiculary groundwater), and capillary action (capillary groundwater).
Numerical analysisNumerical analysis is the study of algorithms that use numerical approximation (as opposed to symbolic manipulations) for the problems of mathematical analysis (as distinguished from discrete mathematics). It is the study of numerical methods that attempt at finding 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.
Reaction rateThe reaction rate or rate of reaction is the speed at which a chemical reaction takes place, defined as proportional to the increase in the concentration of a product per unit time and to the decrease in the concentration of a reactant per unit time. Reaction rates can vary dramatically. For example, the oxidative rusting of iron under Earth's atmosphere is a slow reaction that can take many years, but the combustion of cellulose in a fire is a reaction that takes place in fractions of a second.
Groundwater modelGroundwater models are computer models of groundwater flow systems, and are used by hydrologists and hydrogeologists. Groundwater models are used to simulate and predict aquifer conditions. An unambiguous definition of "groundwater model" is difficult to give, but there are many common characteristics. A groundwater model may be a scale model or an electric model of a groundwater situation or aquifer. Groundwater models are used to represent the natural groundwater flow in the environment.
HydrogeologyHydrogeology (hydro- meaning water, and -geology meaning the study of the Earth) is the area of geology that deals with the distribution and movement of groundwater in the soil and rocks of the Earth's crust (commonly in aquifers). The terms groundwater hydrology, geohydrology, and hydrogeology are often used interchangeably. Hydrogeology is the study of the laws governing the movement of subterranean water, the mechanical, chemical, and thermal interaction of this water with the porous solid, and the transport of energy, chemical constituents, and particulate matter by flow (Domenico and Schwartz, 1998).
Biogeochemical cycleA biogeochemical cycle, or more generally a cycle of matter, is the movement and transformation of chemical elements and compounds between living organisms, the atmosphere, and the Earth's crust. Major biogeochemical cycles include the carbon cycle, the nitrogen cycle and the water cycle. In each cycle, the chemical element or molecule is transformed and cycled by living organisms and through various geological forms and reservoirs, including the atmosphere, the soil and the oceans.
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.
Mineral hydrationIn inorganic chemistry, mineral hydration is a reaction which adds water to the crystal structure of a mineral, usually creating a new mineral, commonly called a hydrate. In geological terms, the process of mineral hydration is known as retrograde alteration and is a process occurring in retrograde metamorphism. It commonly accompanies metasomatism and is often a feature of wall rock alteration around ore bodies. Hydration of minerals occurs generally in concert with hydrothermal circulation which may be driven by tectonic or igneous activity.
MineralIn geology and mineralogy, a mineral or mineral species is, broadly speaking, a solid substance with a fairly well-defined chemical composition and a specific crystal structure that occurs naturally in pure form. The geological definition of mineral normally excludes compounds that occur only in living organisms. However, some minerals are often biogenic (such as calcite) or organic compounds in the sense of chemistry (such as mellite). Moreover, living organisms often synthesize inorganic minerals (such as hydroxylapatite) that also occur in rocks.
BiogeochemistryBiogeochemistry is the scientific discipline that involves the study of the chemical, physical, geological, and biological processes and reactions that govern the composition of the natural environment (including the biosphere, the cryosphere, the hydrosphere, the pedosphere, the atmosphere, and the lithosphere). In particular, biogeochemistry is the study of biogeochemical cycles, the cycles of chemical elements such as carbon and nitrogen, and their interactions with and incorporation into living things transported through earth scale biological systems in space and time.
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.
Groundwater flow equationUsed in hydrogeology, the groundwater flow equation is the mathematical relationship which is used to describe the flow of groundwater through an aquifer. The transient flow of groundwater is described by a form of the diffusion equation, similar to that used in heat transfer to describe the flow of heat in a solid (heat conduction). The steady-state flow of groundwater is described by a form of the Laplace equation, which is a form of potential flow and has analogs in numerous fields.
Marine biogeochemical cyclesMarine biogeochemical cycles are biogeochemical cycles that occur within marine environments, that is, in the saltwater of seas or oceans or the brackish water of coastal estuaries. These biogeochemical cycles are the pathways chemical substances and elements move through within the marine environment. In addition, substances and elements can be imported into or exported from the marine environment. These imports and exports can occur as exchanges with the atmosphere above, the ocean floor below, or as runoff from the land.
Rate-determining stepIn chemical kinetics, the overall rate of a reaction is often approximately determined by the slowest step, known as the rate-determining step (RDS or RD-step or r/d step) or rate-limiting step. For a given reaction mechanism, the prediction of the corresponding rate equation (for comparison with the experimental rate law) is often simplified by using this approximation of the rate-determining step. In principle, the time evolution of the reactant and product concentrations can be determined from the set of simultaneous rate equations for the individual steps of the mechanism, one for each step.
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.
Darcy's lawDarcy's law is an equation that describes the flow of a fluid through a porous medium. The law was formulated by Henry Darcy based on results of experiments on the flow of water through beds of sand, forming the basis of hydrogeology, a branch of earth sciences. It is analogous to Ohm's law in electrostatics, linearly relating the volume flow rate of the fluid to the hydraulic head difference (which is often just proportional to the pressure difference) via the hydraulic conductivity.
Numerical integrationIn analysis, numerical integration comprises a broad family of algorithms for calculating the numerical value of a definite integral, and by extension, the term is also sometimes used to describe the numerical solution of differential equations. This article focuses on calculation of definite integrals. The term numerical quadrature (often abbreviated to quadrature) is more or less a synonym for numerical integration, especially as applied to one-dimensional integrals.
Numerical linear algebraNumerical linear algebra, sometimes called applied linear algebra, is the study of how matrix operations can be used to create computer algorithms which efficiently and accurately provide approximate answers to questions in continuous mathematics. It is a subfield of numerical analysis, and a type of linear algebra. Computers use floating-point arithmetic and cannot exactly represent irrational data, so when a computer algorithm is applied to a matrix of data, it can sometimes increase the difference between a number stored in the computer and the true number that it is an approximation of.
