Skip to content

Commit

Permalink
updated text
Browse files Browse the repository at this point in the history
  • Loading branch information
mtod92 committed Jan 22, 2024
1 parent a3892b9 commit 19d5fcc
Showing 1 changed file with 4 additions and 3 deletions.
7 changes: 4 additions & 3 deletions paper.md
Original file line number Diff line number Diff line change
Expand Up @@ -80,11 +80,12 @@ In this system, we can see that chemical equilibria consist of nonlinear functio
The algorithm presented here has the advantage of operating on a user-friendly set of equations that is intuitively employed by any user with a basic chemistry knowledge. These equations are solved with an approach equivalent to the Newton search of the logarithmic equations over the logarithm of the variables.

# Mathematical Treatment
In a system with *n* different species, the mass conservation relationship for the $i^{th}$ species can be stated as the sum over all the species having masses $X_{1…n}$ multiplied by their stoichiometries (*a*). We can define the conservation of mass for the $i^{th}$ species as:
In a system with *n* different species, the mass conservation relationship for the $i^{th}$ species can be stated as the sum over the concentrations of all the species $X_{1…n}$ multiplied by their stoichiometries (*a*). We can define the conservation of mass for the $i^{th}$ species as:
\begin{equation}\label{eq:6}
a_1[X_1] + a_2[X_2] + ... + a_n[X_n] = [X_i]_{tot}
a_1X_1 + a_2[X_2] + ... + a_n[X_n] = [X_i]_{tot}
\end{equation}

Where square brackets denote concentrations of chemical species.
Or equivalently a summation over all species taking part of the mass conservation for the $i^{th}$ species, whose indexes belong to the set N:
\begin{equation}\label{eq:7}
\sum_{j \in N} a_j[X_j] = [X_i]_{tot}
Expand All @@ -102,7 +103,7 @@ Then we “condense” the sum in the denominator of \autoref{eq:8} into a produ
\sum_{j \in N} a_j[X_j] = \prod_{j \in N} \bigg(\frac{a_j[X_j]}{W_j}\bigg)^{W_j}
\end{equation}

With *W* for a given species *j* part of a mass conservation relationship for species $i$ being equal to:
With *W* for the *j^{th}* species part of the mass conservation relationship of the $i^{th}$ species being equal to:
\begin{equation}\label{eq:10}
W_j = \frac{a_j[X_j]}{\sum_{p \in N} a_p[X_p]}
\end{equation}
Expand Down

0 comments on commit 19d5fcc

Please sign in to comment.