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The response factor can be expressed on a molar, volume or mass [1] basis. Where the true amount of sample and standard are equal: = where A is the signal (e.g. peak area) and the subscript i indicates the sample and the subscript st indicates the standard. [2]
In QSAR modeling, the predictors consist of physico-chemical properties or theoretical molecular descriptors [1] [2] of chemicals; the QSAR response-variable could be a biological activity of the chemicals. QSAR models first summarize a supposed relationship between chemical structures and biological activity in a data-set of chemicals
In chemical thermodynamics, the reaction quotient (Q r or just Q) [1] is a dimensionless quantity that provides a measurement of the relative amounts of products and reactants present in a reaction mixture for a reaction with well-defined overall stoichiometry at a particular point in time.
The collective variables reduce many variables to a lower-dimensional set of variables, that still describe the crucial characteristics of the system. Many collective variables than span the reaction coordinate with a continuous function ξ: ξ(t) = ξ{CV i (t)} with j ∈ N. [2] An example is the complexation of two molecules.
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 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 ...
The theory of response reactions (RERs) was elaborated for systems in which several physico-chemical processes run simultaneously in mutual interaction, with local thermodynamic equilibrium, and in which state variables called extents of reaction are allowed, but thermodynamic equilibrium proper is not required. [1]
Conversion and its related terms yield and selectivity are important terms in chemical reaction engineering.They are described as ratios of how much of a reactant has reacted (X — conversion, normally between zero and one), how much of a desired product was formed (Y — yield, normally also between zero and one) and how much desired product was formed in ratio to the undesired product(s) (S ...
The same is true for intervening variables (a variable in between the supposed cause (X) and the effect (Y)), and anteceding variables (a variable prior to the supposed cause (X) that is the true cause). When a third variable is involved and has not been controlled for, the relation is said to be a zero order relationship. In most practical ...