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Benson group-increment theory (BGIT), group-increment theory, or Benson group additivity uses the experimentally calculated heat of formation for individual groups of atoms to calculate the entire heat of formation for a molecule under investigation. This can be a quick and convenient way to determine theoretical heats of formation without ...
In nonstandard analysis, a field of mathematics, the increment theorem states the following: Suppose a function y = f(x) is differentiable at x and that Δx is infinitesimal. Then Δ y = f ′ ( x ) Δ x + ε Δ x {\displaystyle \Delta y=f'(x)\,\Delta x+\varepsilon \,\Delta x} for some infinitesimal ε , where Δ y = f ( x + Δ x ) − f ( x ...
These four equations and 4 unknowns work out to estimations for P (-10.01 kcal/mol), S (-4.99 kcal/mol), T (-2.03 kcal/mol) and Q (-0.12 kcal/mol). Of course the accuracy will increase when the dataset increases. the data allow the calculation of heat of formation for isomers. For example, the pentanes: n-pentane = 2P + 3S = -35 (exp. -35 kcal/mol)
Suppose we compute the sequence with a one-step method of the form y n = y n − 1 + h A ( t n − 1 , y n − 1 , h , f ) . {\displaystyle y_{n}=y_{n-1}+hA(t_{n-1},y_{n-1},h,f).} The function A {\displaystyle A} is called the increment function , and can be interpreted as an estimate of the slope y ( t n ) − y ( t n − 1 ) h {\displaystyle ...
Unlike a linear scale where each unit of distance corresponds to the same increment, on a logarithmic scale each unit of length is a multiple of some base value raised to a power, and corresponds to the multiplication of the previous value in the scale by the base value. In common use, logarithmic scales are in base 10 (unless otherwise specified).
The logarithmic decrement can be obtained e.g. as ln(x 1 /x 3).Logarithmic decrement, , is used to find the damping ratio of an underdamped system in the time domain.. The method of logarithmic decrement becomes less and less precise as the damping ratio increases past about 0.5; it does not apply at all for a damping ratio greater than 1.0 because the system is overdamped.
The Joback method, often named Joback–Reid method, predicts eleven important and commonly used pure component thermodynamic properties from molecular structure only. It is named after Kevin G. Joback in 1984 [1] and developed it further with Robert C. Reid. [2] The Joback method is an extension of the Lydersen method [3] and uses very similar groups, formulas, and parameters for the three ...
The simplest form of a group-contribution method is the determination of a component property by summing up the group contributions : [] = +.This simple form assumes that the property (normal boiling point in the example) is strictly linearly dependent on the number of groups, and additionally no interaction between groups and molecules are assumed.