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Showing 91–120 of 284 reference entries

Biology · Earth & cosmos · ChemistryBiological nitrogen and phosphorus transformations

Nitrogen fixation converts N₂ toward biologically usable reduced nitrogen; ammonification, nitrification and denitrification transform nitrogen among distinct chemical pools.

Model
Earth & cosmos · ChemistrySilicate structures and substitution

Silicate structures organize silicon–oxygen tetrahedra as isolated units, chains, sheets or frameworks.

Definition
Earth & cosmos · ChemistryMetamorphic assemblages and phase constraints

Metamorphism changes mineral assemblage and texture under changed pressure, temperature, fluid and deformation conditions without requiring bulk melting.

Model
Earth & cosmos · Chemistry · BiologyWeathering, soil formation and chemical export

Mechanical weathering changes fragment size; chemical weathering transforms or dissolves minerals through reactions such as hydrolysis and oxidation.

Model
Earth & cosmos · ChemistryGeochemical partition coefficients

A distribution coefficient relates one species' concentrations in two specified coexisting phases.

Model
Earth & cosmos · ChemistryBatch melting and fractional crystallization models

In homogeneous constant-D batch melting, mass balance and equilibrium give melt enrichment Cℓ/C₀=1/[D+F(1−D)].

Model
Earth & cosmos · ChemistryGroundwater chemistry and transport context

Groundwater exchanges dissolved species with aquifer minerals and surfaces.

Model
Earth & cosmos · Chemistry · BiologyMarine carbonate speciation and exchange

Dissolved inorganic carbon includes aqueous CO₂/carbonic-acid convention, bicarbonate and carbonate.

Model
ChemistryReaction quotient and equilibrium constant

For a balanced reaction with signed stoichiometric coefficients νᵢ, the reaction quotient is the product of activities raised to those coefficients.

Model
ChemistryReaction Gibbs energy and equilibrium

The molar Gibbs energy of a reaction at its current composition is ΔᵣG = ΔᵣG° + RT ln Q.

Model
ChemistryAcid–base constants and solvent conditions

For HA ⇌ H⁺ + A⁻ in a stated solvent convention, Ka relates the equilibrium activities.

Model
ChemistryMass and charge balances in solution

Quantitative aqueous speciation combines equilibrium relations with conservation of analytical amounts and electroneutrality.

Method
ChemistrySuccessive ionization of polyprotic acids

A polyprotic acid loses protons through successive equilibria, each with its own ionization constant.

Model
ChemistryBuffer ratio and Henderson–Hasselbalch relation

Rearranging the acid dissociation relation gives pH=pKa+log₁₀(aA⁻/aHA).

Model
ChemistryTitration curves, equivalence and endpoint

A titration equivalence point is fixed by reaction stoichiometry, whereas an observed endpoint is a measurement criterion.

Method
ChemistryLewis acid–base adducts and formation constants

A Lewis base donates an electron pair and a Lewis acid accepts it in forming an adduct.

Model
ChemistryIdeal-solution vapour pressures and mixture composition

For an ideal liquid solution in equilibrium with an ideal vapour, Raoult's law gives each component's partial pressure as its liquid mole fraction times its pure-liquid vapour pressure at the same temperature.

Approximation
ChemistryDilute-solution osmotic pressure

For an ideal dilute solution separated from pure solvent by a solvent-permeable membrane, osmotic pressure is approximately the molar concentration of osmotically active solute particles times RT.

Approximation
ChemistryThe Gibbs phase rule

For equilibrium among phases in a system described by independent components, the Gibbs phase rule gives F=C−P+2.

Model
ChemistryIntegrated zero-, first- and second-order rate laws

For irreversible loss of one species with constant rate coefficient, integrating −dc/dt=k cⁿ gives c=c₀−kt for n=0, c=c₀e⁻ᵏᵗ for n=1, and 1/c=1/c₀+kt for n=2.

Model
ChemistrySteady-state and pre-equilibrium kinetic approximations

A low-concentration intermediate can have approximately equal formation and consumption rates after a short transient, allowing its rate equation to be eliminated from a mechanism.

Approximation
ChemistryTransition-state rate model

Transition-state theory relates an elementary rate coefficient to a constrained activated-complex equilibrium and a crossing frequency.

Approximation
ChemistryElectronic and nuclear separation in molecules

The Born–Oppenheimer approximation separates electronic and nuclear motion by solving an electronic problem at fixed nuclear geometry and then describing nuclear motion on the resulting energy surface.

Approximation
ChemistryHartree–Fock and density-functional electronic models

Hartree–Fock variationally optimizes a single-determinant description including mean Coulomb and exchange interactions.

Approximation
ChemistryConformations and rotational energy

Conformations differ by rotations about bonds without changing connectivity.

Model
ChemistryCahn–Ingold–Prelog R/S assignment

For a tetrahedral stereogenic centre, rank attached groups by the Cahn–Ingold–Prelog rules: atomic number first, isotopic mass for isotopes, then the first point of difference with multiple-bond duplication.

Method
ChemistryE/Z configuration of alkenes

For an alkene whose two substituents on each double-bond carbon can be distinguished, assign CIP priority independently on each carbon.

Method
ChemistryConcerted nucleophilic substitution (SN2)

An SN2 step forms a bond to a nucleophile as the leaving group departs through one transition state.

Model
ChemistryIonization followed by substitution (SN1)

In a simple SN1 pathway, slow substrate ionization forms a carbocation-containing intermediate before nucleophilic capture.

Model
ChemistryConcerted elimination (E2)

In an E2 step, removal of a β hydrogen, formation of an alkene bond and leaving-group departure occur together.

Model