Detailed balanced mass action systems
A detailed balanced equilibrium concentration of a mass action system Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \vec{a} = [ a_1, a_2, \ldots, a_n]^T \in \mathbb{R}_{>0}^n} is a point which satisfies
for all Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle i,j = 1, \ldots, m} . Using the short-hand notation Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \vec{a}^{\vec{y}} = a_1^{y_1} \cdots a_m^{y_m}} we can rewrite this as Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle k(i,j) (\vec{a})^{\vec{y}_i} = k(j,i) (\vec{a})^{\vec{y}_j}} for all Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle i,j = 1, \ldots, m} . A mass-action system is said to be detailed balanced if every equilibrium concentration permitted by the system is a detailed balanced equilibrium concentration.
Detailed balancing guarantees that every elementary step in the reaction mechanism is balanced by a reverse elementary step at equilibrium. Every chemical reaction network which permits a detailed balanced mass action system is reversible (Theorem 2A[1]).
Matrix formulation
Detailed balancing at equilibrium can be alternatively characterized by the matrix expression
Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \mbox{diag} \left\{ \Psi(\vec{a}) \right\} A_k^T = A_k \mbox{diag} \left\{ \Psi(\vec{a}) \right\} }
where Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \Psi(\vec{a} \in \mathbb{R}_{\geq 0}^m} is the mass action vector, Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle A_k \in \mathbb{R}^{m \times m}} is the kinetic or Kirchhoff matrix, and Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \mbox{diag} \left\{ \vec{v} \right\}} where is the Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle m \times m} matrix with the elements Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle v_1, v_2, \ldots, v_m} along the diagonal and zeroes elsewhere.
Properties of detailed balanced mass action systems
References
- ↑ Fritz Horn, Necessary and sufficient conditions for complex balancing in chemical kinetics. Arch. Ration. Mech. Anal., 49:172--186, 1972