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Model Equations Reference

Introduction

rumenGP implements a collection of nonlinear models for describing cumulative gas production during in vitro rumen fermentation.

This vignette summarizes:

Throughout this vignette:

\[ V(t) \]

represents cumulative gas production at time:

\[ t \]


Single-Pool Models

Brody

Equation

\[ V(t) = A \left( 1 - b e^{-kt} \right) \]

Parameters

Parameter Description
A Asymptotic gas production
b Integration constant
k Fractional rate constant

Advantages

  • Simple and robust
  • Stable convergence
  • Easy interpretation

Limitations

  • No lag parameter
  • Limited flexibility

Ørskov and McDonald

Equation

\[ V(t) = VF + b \left( 1-e^{-kt} \right) \]

Parameters

Parameter Description
VF Initial gas volume (intercept)
b Fermentable fraction
k Fractional rate constant

Advantages

  • Widely used in ruminant nutrition
  • Simple biological interpretation

Limitations

  • No explicit lag phase

EXP0

Equation

\[ V(t) = V_f \left( 1-e^{-kt} \right) \]

Parameters

Parameter Description
Vf Asymptotic gas production
k Fractional rate constant

Advantages

  • Very simple
  • Fast convergence

Limitations

  • No lag phase
  • Limited flexibility

EXPL

Equation

\[ V(t) = V_f \left( 1-e^{-k(t-\lambda)} \right) \]

Parameters

Parameter Description
Vf Asymptotic gas production
k Fractional rate constant
λ Lag time

Advantages

  • Explicit lag parameter
  • Easy interpretation

Limitations

  • Less flexible than sigmoidal models

Gompertz

Equation

\[ V(t) = A \exp \left[ - \exp \left( \frac{\mu e}{A} (\lambda-t) + 1 \right) \right] \]

Parameters

Parameter Description
A Asymptotic gas production
μ Maximum gas production rate
λ Lag time

Advantages

  • Explicit lag and growth-rate parameters
  • Excellent flexibility
  • Widely used in gas production studies

Limitations

  • More complex than exponential models

Logistic

Equation

\[ V(t) = \frac{A} { 1+\exp \left[ 2+ 4k(\lambda-t) \right] } \]

Parameters

Parameter Description
A Asymptotic gas production
k Fractional rate constant
λ Lag time

Advantages

  • Sigmoidal behavior
  • Stable convergence

Limitations

  • Assumes symmetric sigmoid shape

Mitscherlich

Equation

\[ V(t) = A \left[ 1 - \exp \left( -k(t-\lambda) - d \left( \sqrt{t+0.001} - \sqrt{\lambda+0.001} \right) \right) \right] \]

Parameters

Parameter Description
A Asymptotic gas production
k Fractional rate constant
d Shape parameter
λ Lag time

Advantages

  • Flexible curve shape
  • Explicit lag phase

Limitations

  • More parameters
  • Increased parameter correlation

LE0 (Logistic-Exponential Without Lag)

Equation

\[ V(t) = \frac{ A \left( 1-e^{-kt} \right) } { 1+\exp \left[ \ln\left(\frac{1}{d}\right)-kt \right] } \]

Parameters

Parameter Description
A Asymptotic gas production
k Fractional rate constant
d Shape parameter

Advantages

  • Flexible shape
  • No lag parameter required

Limitations

  • More complex than simple exponential models

LEL (Logistic-Exponential With Lag)

Equation

\[ V(t) = \frac{ A \left( 1-e^{-k(t-\lambda)} \right) } { 1+\exp \left[ \ln\left(\frac{1}{d}\right) - k(t-\lambda) \right] } \]

Parameters

Parameter Description
A Asymptotic gas production
k Fractional rate constant
d Shape parameter
λ Lag time

Advantages

  • Flexible shape
  • Explicit lag phase

Limitations

  • Additional complexity may affect convergence

Michaelis-Menten

Equation

\[ V(t) = A \frac{t^{c}} { t^{c}+K^{c} } \]

Parameters

Parameter Description
A Asymptotic gas production
K Half-time parameter
c Shape parameter

Advantages

  • Flexible
  • Strong biological interpretation

Limitations

  • Shape parameter may be difficult to interpret biologically

Groot

Equation

\[ V(t) = \frac{VF} { 1+\left(\frac{b}{t}\right)^k } \]

Parameters

Parameter Description
VF Asymptotic gas production
b Half-time parameter
k Shape parameter

Advantages

  • Excellent flexibility
  • Widely used in rumen gas production studies

Limitations

  • Requires positive incubation times

Multi-Pool Models

Dual Logistic

Equation

\[ V(t) = \frac{V_{1F}} { 1+\exp \left[ 2-4k_1(t-\lambda) \right] } + \frac{V_{2F}} { 1+\exp \left[ 2-4k_2(t-\lambda) \right] } \]

Parameters

Parameter Description
V1F Gas volume from rapidly fermentable fraction
V2F Gas volume from slowly fermentable fraction
k1 Rate constant of rapid fraction
k2 Rate constant of slow fraction
λ Lag time

Advantages

  • Represents multiple fermentation pools
  • Biologically meaningful decomposition

Limitations

  • More parameters
  • Greater convergence challenges

Model Equivalence

Groot and Michaelis-Menten

The Groot and generalized Michaelis-Menten models are mathematically equivalent.

Parameter correspondence:

\[ VF = A \]

\[ b = K \]

\[ k = c \]

Both formulations produce identical fitted values and model diagnostics when convergence is achieved.

Researchers may select either model according to the terminology commonly used in their field.


Choosing a Model

A practical progression is:

Simple Models

Use when:


Lag Models

Use when:


Flexible Sigmoidal Models

Use when:


Multi-Pool Models

Use when:


Custom Models

Researchers can also define their own equations using:

fit_custom()

See:

vignette("custom-models")

for additional details.


Summary

rumenGP provides a diverse collection of nonlinear kinetic models ranging from simple exponential equations to flexible multi-pool formulations.

Model choice should be guided by:

Researchers are encouraged to compare multiple models before selecting a final representation of fermentation kinetics.

These binaries (installable software) and packages are in development.
They may not be fully stable and should be used with caution. We make no claims about them.