SFORB.solution

Function describing the solution of the differential equations describing
the kinetic model with first-order terms for a two-way transfer from a free
to a bound fraction, and a first-order degradation term for the free
fraction. The initial condition is a defined amount in the free fraction
and no substance in the bound fraction.

Calculation routines based on the FOCUS Kinetics Report (2006,
2014). Includes a function for conveniently defining differential equation
models, model solution based on eigenvalues if possible or using numerical
solvers. If a C compiler (on windows: 'Rtools') is installed, differential
equation models are solved using automatically generated C functions.
Heteroscedasticity can be taken into account using variance by variable or
two-component error models as described by Ranke and Meinecke (2018)
<doi:10.3390/environments6120124>. Hierarchical degradation models can
be fitted using nonlinear mixed-effects model packages as a back end as
described by Ranke et al. (2021) <doi:10.3390/environments8080071>. Please
note that no warranty is implied for correctness of results or fitness for a
particular purpose.

Johannes Ranke

mkin

Kinetic Evaluation of Chemical Degradation Data

Katrin Lindenberger

René Lehmann

Eurofins Regulatory AG 

SFORB.solution function

<dl><dt>t</dt>
<dd>Time.</dd>
<dt>parent_0</dt>
<dd>Starting value for the response variable at time zero.</dd>
<dt>k_12</dt>
<dd>Kinetic constant describing transfer from free to bound.</dd>
<dt>k_21</dt>
<dd>Kinetic constant describing transfer from bound to free.</dd>
<dt>k_1output</dt>
<dd>Kinetic constant describing degradation of the free
fraction.</dd></dl>

Arguments

Single First-Order Reversible Binding kinetics — SFORB.solution

<dl>

<dt>t</dt>
<dd>Time.</dd>


<dt>parent_0</dt>
<dd>Starting value for the response variable at time zero.</dd>


<dt>k_12</dt>
<dd>Kinetic constant describing transfer from free to bound.</dd>


<dt>k_21</dt>
<dd>Kinetic constant describing transfer from bound to free.</dd>


<dt>k_1output</dt>
<dd>Kinetic constant describing degradation of the free
fraction.</dd>

</dl>

SFORB.solution: Single First-Order Reversible Binding kinetics

Description

Usage

Value

Arguments

References

See Also

Examples