<?xml version="1.0" encoding="utf-8"?><feed xmlns="http://www.w3.org/2005/Atom" xml:lang="en-US"><generator uri="https://jekyllrb.com/" version="4.4.1">Jekyll</generator><link href="https://ulysseszh.github.io/feed/chemistry.xml" rel="self" type="application/atom+xml" /><link href="https://ulysseszh.github.io/" rel="alternate" type="text/html" hreflang="en-US" /><updated>2026-04-30T17:49:58-07:00</updated><id>https://ulysseszh.github.io/feed/chemistry.xml</id><title type="html"><![CDATA[Ulysses’ trip | Chemistry]]></title><subtitle>Here we are at the awesome (awful) blog written by UlyssesZhan!</subtitle><author><name>UlyssesZhan</name><email>ulysseszhan@gmail.com</email></author><entry><title type="html"><![CDATA[Algebraic structure of chemicals]]></title><link href="https://ulysseszh.github.io/chemistry/2020/04/13/chemical-algebra.html" rel="alternate" type="text/html" title="Algebraic structure of chemicals" /><published>2020-04-13T06:59:28-07:00</published><updated>2020-04-13T06:59:28-07:00</updated><id>https://ulysseszh.github.io/chemistry/2020/04/13/chemical-algebra</id><content type="html" xml:base="https://ulysseszh.github.io/chemistry/2020/04/13/chemical-algebra.html"><![CDATA[<p>When we are writing reaction equations, it seems that we are regarding the chemicals as some sort of algebraic objects.</p>
<p>To disambiguate, “element” refers to element in math, while “chemical element” refers to element in chemistry.</p>
<p>For convenience, if there is no ambiguity, denote the zero element in all kinds of algebraic structures as <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mn>0</mn></mrow><annotation encoding="application/x-tex">0</annotation></semantics></math></span></span>.</p>
<p>From the perspective of algebra, <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>m</mi></mrow><annotation encoding="application/x-tex">m</annotation></semantics></math></span></span> different chemical elements forms a free <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi mathvariant="double-struck">Z</mi></mrow><annotation encoding="application/x-tex">\mathbb Z</annotation></semantics></math></span></span>-module <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi mathvariant="script">M</mi></mrow><annotation encoding="application/x-tex">\mathscr M</annotation></semantics></math></span></span>, whose rank (a.k.a. dimension) is <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>m</mi></mrow><annotation encoding="application/x-tex">m</annotation></semantics></math></span></span>. Chemicals (whether pures or mixtures) consisting of these chemical elements can be regarded as elements in <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi mathvariant="script">M</mi></mrow><annotation encoding="application/x-tex">\mathscr M</annotation></semantics></math></span></span>.</p>
<p>Suppose the basis of <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi mathvariant="script">M</mi></mrow><annotation encoding="application/x-tex">\mathscr M</annotation></semantics></math></span></span> is <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>B</mi><mo>∈</mo><msup><mi mathvariant="script">M</mi><mi>m</mi></msup></mrow><annotation encoding="application/x-tex">B\in\mathscr M^m</annotation></semantics></math></span></span>, whose components are the respective chemical elements. Then, any <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>c</mi><mo>∈</mo><mi mathvariant="script">M</mi></mrow><annotation encoding="application/x-tex">c\in\mathscr M</annotation></semantics></math></span></span> can be represented as an inner product <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>c</mi><mo>=</mo><mrow><mo fence="true">&lt;</mo><mi>p</mi><mo separator="true">,</mo><mi>B</mi><mo fence="true">&gt;</mo></mrow></mrow><annotation encoding="application/x-tex">c=\left&lt;p,B\right&gt;</annotation></semantics></math></span></span>, where <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>p</mi><mo>∈</mo><msup><mi mathvariant="double-struck">Z</mi><mi>m</mi></msup></mrow><annotation encoding="application/x-tex">p\in\mathbb Z^m</annotation></semantics></math></span></span>.</p>
<p>With the isomorphism <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>f</mi><mo>:</mo><mi>p</mi><mo>↦</mo><mrow><mo fence="true">&lt;</mo><mi>p</mi><mo separator="true">,</mo><mi>B</mi><mo fence="true">&gt;</mo></mrow></mrow><annotation encoding="application/x-tex">f:p\mapsto\left&lt;p,B\right&gt;</annotation></semantics></math></span></span>, one can find that <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi mathvariant="script">M</mi><mo>≃</mo><msup><mi mathvariant="double-struck">Z</mi><mi>m</mi></msup></mrow><annotation encoding="application/x-tex">\mathscr M\simeq\mathbb Z^m</annotation></semantics></math></span></span>.</p>
<p>Suppose a chemical reaction equation involves <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>n</mi></mrow><annotation encoding="application/x-tex">n</annotation></semantics></math></span></span> chemicals <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>C</mi><mo>∈</mo><msup><mi mathvariant="script">M</mi><mi>n</mi></msup></mrow><annotation encoding="application/x-tex">C\in\mathscr M^n</annotation></semantics></math></span></span>. Then, balancing the equation is in fact to find <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>x</mi><mo>∈</mo><msup><mi mathvariant="double-struck">Z</mi><mi>n</mi></msup></mrow><annotation encoding="application/x-tex">x\in\mathbb Z^n</annotation></semantics></math></span></span> such that <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mrow><mo fence="true">&lt;</mo><mi>x</mi><mo separator="true">,</mo><mi>C</mi><mo fence="true">&gt;</mo></mrow><mo>=</mo><mn>0</mn></mrow><annotation encoding="application/x-tex">\left&lt;x,C\right&gt;=0</annotation></semantics></math></span></span>. In other words, it is to solve the homogeneous linear equation <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mrow><mo fence="true">&lt;</mo><mi>x</mi><mo separator="true">,</mo><mi>C</mi><mo fence="true">&gt;</mo></mrow><mo>=</mo><mn>0</mn></mrow><annotation encoding="application/x-tex">\left&lt;x,C\right&gt;=0</annotation></semantics></math></span></span>. The solution <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>x</mi></mrow><annotation encoding="application/x-tex">x</annotation></semantics></math></span></span> is the “signed stoichiometries”. Chemicals with positive stoichiometries and those with negative ones stay at different side of the chemical reaction equation.</p>
<p>One can define the concept of “rank” in <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><msup><mi mathvariant="script">M</mi><mi>n</mi></msup></mrow><annotation encoding="application/x-tex">\mathscr M^n</annotation></semantics></math></span></span>. Let <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>r</mi><mo><mi mathvariant="normal">≔</mi></mo><mi mathvariant="normal">rank</mi><mo>⁡</mo><mi>C</mi></mrow><annotation encoding="application/x-tex">r\coloneqq\operatorname{rank}C</annotation></semantics></math></span></span>.</p>
<ol type="1">
<li><span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>r</mi><mo>≥</mo><mi>n</mi></mrow><annotation encoding="application/x-tex">r\ge n</annotation></semantics></math></span></span>. In this case, <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>x</mi></mrow><annotation encoding="application/x-tex">x</annotation></semantics></math></span></span> has the only solution <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>x</mi><mo>=</mo><mn>0</mn></mrow><annotation encoding="application/x-tex">x=0</annotation></semantics></math></span></span>. A mistake made when writing out the reaction equation may lead to this case.</li>
<li><span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>r</mi><mo>=</mo><mi>n</mi><mo>−</mo><mn>1</mn></mrow><annotation encoding="application/x-tex">r=n-1</annotation></semantics></math></span></span>. In this case, <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>x</mi></mrow><annotation encoding="application/x-tex">x</annotation></semantics></math></span></span> has infinite solutions, all with the form <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>x</mi><mo>=</mo><mi>t</mi><mi>s</mi></mrow><annotation encoding="application/x-tex">x=ts</annotation></semantics></math></span></span>, where <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>s</mi><mo>∈</mo><msup><mi mathvariant="double-struck">Z</mi><mi>n</mi></msup></mrow><annotation encoding="application/x-tex">s\in\mathbb Z^n</annotation></semantics></math></span></span> is the solution basis, and <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>t</mi><mo>∈</mo><mi mathvariant="double-struck">Z</mi></mrow><annotation encoding="application/x-tex">t\in\mathbb Z</annotation></semantics></math></span></span> is an arbitrary parameter. Then <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>s</mi></mrow><annotation encoding="application/x-tex">s</annotation></semantics></math></span></span> is the result of balancing. Usually, it is required that components of <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>s</mi></mrow><annotation encoding="application/x-tex">s</annotation></semantics></math></span></span> be mutually prime. Such chemical reactions can be called “simple reactions”.</li>
<li><span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>r</mi><mo>&lt;</mo><mi>n</mi><mo>−</mo><mn>1</mn></mrow><annotation encoding="application/x-tex">r&lt;n-1</annotation></semantics></math></span></span>. In this case, <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>x</mi></mrow><annotation encoding="application/x-tex">x</annotation></semantics></math></span></span> has infinite solutions, with multiple (to be clear, <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>n</mi><mo>−</mo><mi>r</mi></mrow><annotation encoding="application/x-tex">n-r</annotation></semantics></math></span></span>) solution basis. Such chemical reactions can be called “complicated reactions”. This means the reaction equation can be decomposed into <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>n</mi><mo>−</mo><mi>r</mi></mrow><annotation encoding="application/x-tex">n-r</annotation></semantics></math></span></span> linearly independent simple reaction equations, where the stoichiometries are the solution basis we previously solved out.</li>
</ol>
<p>Note that the solution basis of a complicated reaction are not unique, so you may derive conclusions of completely different chemical meanings.</p>]]></content><author><name>UlyssesZhan</name><email>ulysseszhan@gmail.com</email></author><category term="chemistry" /><category term="linear algebra" /><category term="abstract algebra" /><summary type="html"><![CDATA[Regarding balancing chemical equations, actually we are trying to find a non-trivial linear combination of some chemicals to get zero. The interesting thing is that the coefficients can only be integers (<span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi mathvariant="double-struck">Z</mi></mrow><annotation encoding="application/x-tex">\mathbb Z</annotation></semantics></math></span></span>), which is not a field, so the algebraic structure of chemicals is not linear space. They actually live in a free <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi mathvariant="double-struck">Z</mi></mrow><annotation encoding="application/x-tex">\mathbb Z</annotation></semantics></math></span></span>-module. See how I formalize this idea in mathematical language.]]></summary><media:thumbnail xmlns:media="http://search.yahoo.com/mrss/" url="https://ulysseszh.github.io/assets/images/covers/2020-04-13-chemical-algebra.png" /><media:content medium="image" url="https://ulysseszh.github.io/assets/images/covers/2020-04-13-chemical-algebra.png" xmlns:media="http://search.yahoo.com/mrss/" /></entry><entry><title type="html"><![CDATA[The concentration change of gas in reversible reactions]]></title><link href="https://ulysseszh.github.io/chemistry/2020/04/12/concentration-time.html" rel="alternate" type="text/html" title="The concentration change of gas in reversible reactions" /><published>2020-04-11T19:00:01-07:00</published><updated>2020-04-11T19:00:01-07:00</updated><id>https://ulysseszh.github.io/chemistry/2020/04/12/concentration-time</id><content type="html" xml:base="https://ulysseszh.github.io/chemistry/2020/04/12/concentration-time.html"><![CDATA[<h2 data-label="0.1" id="introduction">Introduction</h2>
<p>A reversible elementary reaction takes place inside a closed, highly thermally conductive container of constant volume, whose reactants are all gases, and the reaction equation is <span class="katex-display"><span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML" display="block"><semantics><mrow><munder><mo>∑</mo><mi>k</mi></munder><msub><mi>a</mi><mi>k</mi></msub><msub><mi>X</mi><mi>k</mi></msub><mo>⇌</mo><munder><mo>∑</mo><mi>k</mi></munder><msub><mi>b</mi><mi>k</mi></msub><msub><mi>Y</mi><mi>k</mi></msub><mo separator="true">,</mo></mrow><annotation encoding="application/x-tex">
    \sum_ka_kX_k\rightleftharpoons\sum_kb_kY_k,
</annotation></semantics></math></span></span></span> where <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><msub><mi>X</mi><mi>k</mi></msub></mrow><annotation encoding="application/x-tex">X_k</annotation></semantics></math></span></span> and <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><msub><mi>Y</mi><mi>k</mi></msub></mrow><annotation encoding="application/x-tex">Y_k</annotation></semantics></math></span></span> are reactants, and <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><msub><mi>a</mi><mi>k</mi></msub></mrow><annotation encoding="application/x-tex">a_k</annotation></semantics></math></span></span> and <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><msub><mi>b</mi><mi>k</mi></msub></mrow><annotation encoding="application/x-tex">b_k</annotation></semantics></math></span></span> are stoichiometries.</p>
<p>Use square brackets to denote concentrations. Our goal is to find <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mo fence="true">[</mo><msub><mi>X</mi><mi>k</mi></msub><mo fence="true">]</mo></mrow><annotation encoding="application/x-tex">\left[X_k\right]</annotation></semantics></math></span></span> and <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mo fence="true">[</mo><msub><mi>Y</mi><mi>k</mi></msub><mo fence="true">]</mo></mrow><annotation encoding="application/x-tex">\left[Y_k\right]</annotation></semantics></math></span></span> as functions with respect to time <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>t</mi></mrow><annotation encoding="application/x-tex">t</annotation></semantics></math></span></span>.</p>
<h2 data-label="0.2" id="the-approach">The approach</h2>
<p>It is easy to write out the rate equations <span id="eq:rate-equations" data-label="(1)"><span class="katex-display-table"> <span class="katex-display-numbered"><span class="katex-display"><span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML" display="block"><semantics><mtable rowspacing="0.25em" columnalign="right" columnspacing=""><mtr><mtd><mstyle scriptlevel="0" displaystyle="true"><mrow><mfrac><mrow><mi mathvariant="normal">d</mi><mrow><mo fence="true">[</mo><msub><mi>X</mi><mi>j</mi></msub><mo fence="true">]</mo></mrow></mrow><mrow><mi mathvariant="normal">d</mi><mi>t</mi></mrow></mfrac><mo>=</mo><msub><mi>a</mi><mi>j</mi></msub><mrow><mo fence="true">(</mo><msub><mi>μ</mi><mi>Y</mi></msub><munder><mo>∏</mo><mi>k</mi></munder><msup><mrow><mo fence="true">[</mo><msub><mi>Y</mi><mi>k</mi></msub><mo fence="true">]</mo></mrow><msub><mi>b</mi><mi>k</mi></msub></msup><mo>−</mo><msub><mi>μ</mi><mi>X</mi></msub><munder><mo>∏</mo><mi>k</mi></munder><msup><mrow><mo fence="true">[</mo><msub><mi>X</mi><mi>k</mi></msub><mo fence="true">]</mo></mrow><msub><mi>a</mi><mi>k</mi></msub></msup><mo fence="true">)</mo></mrow><mo separator="true">,</mo></mrow></mstyle></mtd></mtr><mtr><mtd><mstyle scriptlevel="0" displaystyle="true"><mrow><mfrac><mrow><mi mathvariant="normal">d</mi><mrow><mo fence="true">[</mo><msub><mi>Y</mi><mi>j</mi></msub><mo fence="true">]</mo></mrow></mrow><mrow><mi mathvariant="normal">d</mi><mi>t</mi></mrow></mfrac><mo>=</mo><msub><mi>b</mi><mi>j</mi></msub><mrow><mo fence="true">(</mo><msub><mi>μ</mi><mi>X</mi></msub><munder><mo>∏</mo><mi>k</mi></munder><msup><mrow><mo fence="true">[</mo><msub><mi>X</mi><mi>k</mi></msub><mo fence="true">]</mo></mrow><msub><mi>a</mi><mi>k</mi></msub></msup><mo>−</mo><msub><mi>μ</mi><mi>Y</mi></msub><munder><mo>∏</mo><mi>k</mi></munder><msup><mrow><mo fence="true">[</mo><msub><mi>Y</mi><mi>k</mi></msub><mo fence="true">]</mo></mrow><msub><mi>b</mi><mi>k</mi></msub></msup><mo fence="true">)</mo></mrow><mo separator="true">,</mo></mrow></mstyle></mtd></mtr></mtable><annotation encoding="application/x-tex">\begin{split}
    \frac{\mathrm d\left[X_j\right]}{\mathrm dt}=
        a_j\left(\mu_Y\prod_k\left[Y_k\right]^{b_k}-
        \mu_X\prod_k\left[X_k\right]^{a_k}\right),\\
    \frac{\mathrm d\left[Y_j\right]}{\mathrm dt}=
        b_j\left(\mu_X\prod_k\left[X_k\right]^{a_k}-
        \mu_Y\prod_k\left[Y_k\right]^{b_k}\right),
\end{split}</annotation></semantics></math></span></span></span></span>
<span class="katex-display-number"><span class="katex-display"><span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML" display="block"><semantics><mrow><mo stretchy="false">(</mo><mn>1</mn><mo stretchy="false">)</mo></mrow><annotation encoding="application/x-tex">(1)</annotation></semantics></math></span></span></span></span> </span></span> where <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><msub><mi>μ</mi><mi>X</mi></msub></mrow><annotation encoding="application/x-tex">\mu_X</annotation></semantics></math></span></span> and <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><msub><mi>μ</mi><mi>Y</mi></msub></mrow><annotation encoding="application/x-tex">\mu_Y</annotation></semantics></math></span></span> are rate constants derived by experimenting.</p>
<p>Apply a substitution <span id="eq:substitution" data-label="(2)"><span class="katex-display-table"> <span class="katex-display-numbered"><span class="katex-display"><span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML" display="block"><semantics><mtable rowspacing="0.25em" columnalign="right" columnspacing=""><mtr><mtd><mstyle scriptlevel="0" displaystyle="true"><mrow><msub><mi>x</mi><mi>j</mi></msub><mo><mi mathvariant="normal">≔</mi></mo><mfrac><mrow><mo fence="true">[</mo><msub><mi>X</mi><mi>j</mi></msub><mo fence="true">]</mo></mrow><msub><mi>a</mi><mi>j</mi></msub></mfrac><mo separator="true">,</mo><mspace width="1em"/><msub><mi>y</mi><mi>j</mi></msub><mo><mi mathvariant="normal">≔</mi></mo><mfrac><mrow><mo fence="true">[</mo><msub><mi>Y</mi><mi>j</mi></msub><mo fence="true">]</mo></mrow><msub><mi>b</mi><mi>j</mi></msub></mfrac><mo separator="true">,</mo></mrow></mstyle></mtd></mtr><mtr><mtd><mstyle scriptlevel="0" displaystyle="true"><mrow><msub><mi>μ</mi><mi>x</mi></msub><mo><mi mathvariant="normal">≔</mi></mo><msub><mi>μ</mi><mi>X</mi></msub><munder><mo>∏</mo><mi>k</mi></munder><msubsup><mi>a</mi><mi>k</mi><msub><mi>a</mi><mi>k</mi></msub></msubsup><mo separator="true">,</mo><mspace width="1em"/><msub><mi>μ</mi><mi>y</mi></msub><mo><mi mathvariant="normal">≔</mi></mo><msub><mi>μ</mi><mi>Y</mi></msub><munder><mo>∏</mo><mi>k</mi></munder><msubsup><mi>b</mi><mi>k</mi><msub><mi>b</mi><mi>k</mi></msub></msubsup></mrow></mstyle></mtd></mtr></mtable><annotation encoding="application/x-tex">\begin{split}
    x_j\coloneqq\frac{\left[X_j\right]}{a_j},\quad
    y_j\coloneqq\frac{\left[Y_j\right]}{b_j},\\
    \mu_x\coloneqq\mu_X\prod_ka_k^{a_k},\quad
    \mu_y\coloneqq\mu_Y\prod_kb_k^{b_k}
\end{split}</annotation></semantics></math></span></span></span></span>
<span class="katex-display-number"><span class="katex-display"><span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML" display="block"><semantics><mrow><mo stretchy="false">(</mo><mn>2</mn><mo stretchy="false">)</mo></mrow><annotation encoding="application/x-tex">(2)</annotation></semantics></math></span></span></span></span> </span></span> to Formula <a href="#eq:rate-equations">1</a>, and then it becomes <span id="eq:substituted-rate" data-label="(3)"><span class="katex-display-table"> <span class="katex-display-numbered"><span class="katex-display"><span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML" display="block"><semantics><mtable rowspacing="0.25em" columnalign="right" columnspacing=""><mtr><mtd><mstyle scriptlevel="0" displaystyle="true"><mrow><mfrac><mrow><mi mathvariant="normal">d</mi><msub><mi>x</mi><mi>j</mi></msub></mrow><mrow><mi mathvariant="normal">d</mi><mi>t</mi></mrow></mfrac><mo>=</mo><msub><mi>μ</mi><mi>y</mi></msub><munder><mo>∏</mo><mi>k</mi></munder><msubsup><mi>y</mi><mi>k</mi><msub><mi>b</mi><mi>k</mi></msub></msubsup><mo>−</mo><msub><mi>μ</mi><mi>x</mi></msub><munder><mo>∏</mo><mi>k</mi></munder><msubsup><mi>x</mi><mi>k</mi><msub><mi>a</mi><mi>k</mi></msub></msubsup><mo separator="true">,</mo></mrow></mstyle></mtd></mtr><mtr><mtd><mstyle scriptlevel="0" displaystyle="true"><mrow><mfrac><mrow><mi mathvariant="normal">d</mi><msub><mi>y</mi><mi>j</mi></msub></mrow><mrow><mi mathvariant="normal">d</mi><mi>t</mi></mrow></mfrac><mo>=</mo><msub><mi>μ</mi><mi>x</mi></msub><munder><mo>∏</mo><mi>k</mi></munder><msubsup><mi>x</mi><mi>k</mi><msub><mi>a</mi><mi>k</mi></msub></msubsup><mo>−</mo><msub><mi>μ</mi><mi>y</mi></msub><munder><mo>∏</mo><mi>k</mi></munder><msubsup><mi>y</mi><mi>k</mi><msub><mi>b</mi><mi>k</mi></msub></msubsup><mo separator="true">,</mo></mrow></mstyle></mtd></mtr></mtable><annotation encoding="application/x-tex">\begin{split}
    \frac{\mathrm dx_j}{\mathrm dt}=
    \mu_y\prod_ky_k^{b_k}-\mu_x\prod_kx_k^{a_k},\\
    \frac{\mathrm dy_j}{\mathrm dt}=
    \mu_x\prod_kx_k^{a_k}-\mu_y\prod_ky_k^{b_k},
\end{split}</annotation></semantics></math></span></span></span></span>
<span class="katex-display-number"><span class="katex-display"><span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML" display="block"><semantics><mrow><mo stretchy="false">(</mo><mn>3</mn><mo stretchy="false">)</mo></mrow><annotation encoding="application/x-tex">(3)</annotation></semantics></math></span></span></span></span> </span></span> which means the changes of <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><msub><mi>x</mi><mi>j</mi></msub></mrow><annotation encoding="application/x-tex">x_j</annotation></semantics></math></span></span> are all equal, the changes of <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><msub><mi>y</mi><mi>j</mi></msub></mrow><annotation encoding="application/x-tex">y_j</annotation></semantics></math></span></span> are all equal, and the changes of <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><msub><mi>x</mi><mi>j</mi></msub></mrow><annotation encoding="application/x-tex">x_j</annotation></semantics></math></span></span> are opposite to the changes of <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><msub><mi>y</mi><mi>j</mi></msub></mrow><annotation encoding="application/x-tex">y_j</annotation></semantics></math></span></span>.</p>
<p>Denote the changes of <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><msub><mi>x</mi><mi>j</mi></msub></mrow><annotation encoding="application/x-tex">x_j</annotation></semantics></math></span></span> are equal to <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>s</mi></mrow><annotation encoding="application/x-tex">s</annotation></semantics></math></span></span>, the initial value of <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><msub><mi>x</mi><mi>j</mi></msub></mrow><annotation encoding="application/x-tex">x_j</annotation></semantics></math></span></span> is <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><msub><mi>A</mi><mi>j</mi></msub></mrow><annotation encoding="application/x-tex">A_j</annotation></semantics></math></span></span>, the initial value of <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><msub><mi>y</mi><mi>j</mi></msub></mrow><annotation encoding="application/x-tex">y_j</annotation></semantics></math></span></span> is <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><msub><mi>B</mi><mi>j</mi></msub></mrow><annotation encoding="application/x-tex">B_j</annotation></semantics></math></span></span>, which means <span id="eq:back" data-label="(4)"><span class="katex-display-table"> <span class="katex-display-numbered"><span class="katex-display"><span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML" display="block"><semantics><mtable rowspacing="0.25em" columnalign="right" columnspacing=""><mtr><mtd><mstyle scriptlevel="0" displaystyle="true"><mrow><msub><mi>x</mi><mi>j</mi></msub><mo>=</mo><msub><mi>A</mi><mi>j</mi></msub><mo>+</mo><mi>s</mi><mo separator="true">,</mo></mrow></mstyle></mtd></mtr><mtr><mtd><mstyle scriptlevel="0" displaystyle="true"><mrow><msub><mi>y</mi><mi>j</mi></msub><mo>=</mo><msub><mi>B</mi><mi>j</mi></msub><mo>−</mo><mi>s</mi><mi mathvariant="normal">.</mi></mrow></mstyle></mtd></mtr></mtable><annotation encoding="application/x-tex">\begin{split}
    x_j=A_j+s,\\
    y_j=B_j-s.
\end{split}</annotation></semantics></math></span></span></span></span> <span class="katex-display-number"><span class="katex-display"><span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML" display="block"><semantics><mrow><mo stretchy="false">(</mo><mn>4</mn><mo stretchy="false">)</mo></mrow><annotation encoding="application/x-tex">(4)</annotation></semantics></math></span></span></span></span> </span></span> Substitute Formula <a href="#eq:back">4</a> into Formula <a href="#eq:substituted-rate">3</a>, and it can be derived that <span class="katex-display"><span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML" display="block"><semantics><mrow><mfrac><mrow><mi mathvariant="normal">d</mi><mi>s</mi></mrow><mrow><mi mathvariant="normal">d</mi><mi>t</mi></mrow></mfrac><mo>=</mo><mi>F</mi><mtext> ⁣</mtext><mrow><mo fence="true">(</mo><mi>s</mi><mo fence="true">)</mo></mrow><mo separator="true">,</mo></mrow><annotation encoding="application/x-tex">
    \frac{\mathrm ds}{\mathrm dt}=F\!\left(s\right),
</annotation></semantics></math></span></span></span> by which we can reduce the problem to an integral problem <span id="eq:separated" data-label="(5)"><span class="katex-display-table"> <span class="katex-display-numbered"><span class="katex-display"><span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML" display="block"><semantics><mrow><mi>t</mi><mo>=</mo><msubsup><mo>∫</mo><mn>0</mn><mi>s</mi></msubsup><mfrac><mrow><mi mathvariant="normal">d</mi><mi>s</mi></mrow><mrow><mi>F</mi><mtext> ⁣</mtext><mrow><mo fence="true">(</mo><mi>s</mi><mo fence="true">)</mo></mrow></mrow></mfrac><mo separator="true">,</mo></mrow><annotation encoding="application/x-tex">t=\int_0^s\frac{\mathrm ds}{F\!\left(s\right)},</annotation></semantics></math></span></span></span></span> <span class="katex-display-number"><span class="katex-display"><span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML" display="block"><semantics><mrow><mo stretchy="false">(</mo><mn>5</mn><mo stretchy="false">)</mo></mrow><annotation encoding="application/x-tex">(5)</annotation></semantics></math></span></span></span></span> </span></span> where <span id="eq:def-F" data-label="(6)"><span class="katex-display-table"> <span class="katex-display-numbered"><span class="katex-display"><span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML" display="block"><semantics><mrow><mi>F</mi><mtext> ⁣</mtext><mrow><mo fence="true">(</mo><mi>s</mi><mo fence="true">)</mo></mrow><mo><mi mathvariant="normal">≔</mi></mo><msub><mi>μ</mi><mi>y</mi></msub><munder><mo>∏</mo><mi>k</mi></munder><msup><mrow><mo fence="true">(</mo><msub><mi>B</mi><mi>k</mi></msub><mo>−</mo><mi>s</mi><mo fence="true">)</mo></mrow><msub><mi>b</mi><mi>k</mi></msub></msup><mo>−</mo><msub><mi>μ</mi><mi>x</mi></msub><munder><mo>∏</mo><mi>k</mi></munder><msup><mrow><mo fence="true">(</mo><msub><mi>A</mi><mi>k</mi></msub><mo>+</mo><mi>s</mi><mo fence="true">)</mo></mrow><msub><mi>a</mi><mi>k</mi></msub></msup></mrow><annotation encoding="application/x-tex">F\!\left(s\right)\coloneqq\mu_y\prod_k\left(B_k-s\right)^{b_k}-
    \mu_x\prod_k\left(A_k+s\right)^{a_k}</annotation></semantics></math></span></span></span></span> <span class="katex-display-number"><span class="katex-display"><span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML" display="block"><semantics><mrow><mo stretchy="false">(</mo><mn>6</mn><mo stretchy="false">)</mo></mrow><annotation encoding="application/x-tex">(6)</annotation></semantics></math></span></span></span></span> </span></span> is a polynomial of <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>n</mi></mrow><annotation encoding="application/x-tex">n</annotation></semantics></math></span></span>th degree, where <span class="katex-display"><span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML" display="block"><semantics><mrow><mi>n</mi><mo><mi mathvariant="normal">≔</mi></mo><mi>max</mi><mo>⁡</mo><mtext> ⁣</mtext><mrow><mo fence="true">(</mo><munder><mo>∑</mo><mi>k</mi></munder><msub><mi>a</mi><mi>k</mi></msub><mo separator="true">,</mo><munder><mo>∑</mo><mi>k</mi></munder><msub><mi>b</mi><mi>k</mi></msub><mo fence="true">)</mo></mrow></mrow><annotation encoding="application/x-tex">
    n\coloneqq\max\!\left(\sum_ka_k,\sum_kb_k\right)
</annotation></semantics></math></span></span></span> is the larger of the orders of the forward and reverse reactions. The degree of <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>F</mi></mrow><annotation encoding="application/x-tex">F</annotation></semantics></math></span></span> may be lower if the high-order term is offset, but only mathematicians believe in such coincidences.</p>
<p>Since Formula <a href="#eq:separated">5</a> is to integrate a rational function, it is easy.</p>
<p>After deriving <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>s</mi></mrow><annotation encoding="application/x-tex">s</annotation></semantics></math></span></span> as a function of <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>t</mi></mrow><annotation encoding="application/x-tex">t</annotation></semantics></math></span></span>, substitute it into Formula <a href="#eq:back">4</a> and then Formula <a href="#eq:substitution">2</a>. We can derive <span id="eq:result" data-label="(7)"><span class="katex-display-table"> <span class="katex-display-numbered"><span class="katex-display"><span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML" display="block"><semantics><mtable rowspacing="0.25em" columnalign="right" columnspacing=""><mtr><mtd><mstyle scriptlevel="0" displaystyle="true"><mrow><mrow><mo fence="true">[</mo><msub><mi>X</mi><mi>j</mi></msub><mo fence="true">]</mo></mrow><mo>=</mo><msub><mi>a</mi><mi>j</mi></msub><mrow><mo fence="true">(</mo><msub><mi>A</mi><mi>j</mi></msub><mo>+</mo><mi>s</mi><mo fence="true">)</mo></mrow><mo separator="true">,</mo></mrow></mstyle></mtd></mtr><mtr><mtd><mstyle scriptlevel="0" displaystyle="true"><mrow><mrow><mo fence="true">[</mo><msub><mi>Y</mi><mi>j</mi></msub><mo fence="true">]</mo></mrow><mo>=</mo><msub><mi>b</mi><mi>j</mi></msub><mrow><mo fence="true">(</mo><msub><mi>B</mi><mi>j</mi></msub><mo>−</mo><mi>s</mi><mo fence="true">)</mo></mrow></mrow></mstyle></mtd></mtr></mtable><annotation encoding="application/x-tex">\begin{split}
    \left[X_j\right]=a_j\left(A_j+s\right),\\
    \left[Y_j\right]=b_j\left(B_j-s\right)
\end{split}</annotation></semantics></math></span></span></span></span> <span class="katex-display-number"><span class="katex-display"><span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML" display="block"><semantics><mrow><mo stretchy="false">(</mo><mn>7</mn><mo stretchy="false">)</mo></mrow><annotation encoding="application/x-tex">(7)</annotation></semantics></math></span></span></span></span> </span></span> as the answer.</p>
<h2 data-label="0.3" id="properties-of-f">Properties of <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>F</mi></mrow><annotation encoding="application/x-tex">F</annotation></semantics></math></span></span></h2>
<p>As we all know, here exists a state where the system is in chemical equilibrium. Denote the value of <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>s</mi></mrow><annotation encoding="application/x-tex">s</annotation></semantics></math></span></span> in this case as <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>q</mi></mrow><annotation encoding="application/x-tex">q</annotation></semantics></math></span></span>. It is easy to figure out that <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>q</mi></mrow><annotation encoding="application/x-tex">q</annotation></semantics></math></span></span> is a zero of <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>F</mi><mtext> ⁣</mtext><mrow><mo fence="true">(</mo><mi>s</mi><mo fence="true">)</mo></mrow></mrow><annotation encoding="application/x-tex">F\!\left(s\right)</annotation></semantics></math></span></span> on the interval <span class="katex-display"><span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML" display="block"><semantics><mrow><mi>I</mi><mo><mi mathvariant="normal">≔</mi></mo><mrow><mo fence="true">(</mo><mo>−</mo><munder><mrow><mi>min</mi><mo>⁡</mo></mrow><mi>k</mi></munder><msub><mi>A</mi><mi>k</mi></msub><mo separator="true">,</mo><munder><mrow><mi>min</mi><mo>⁡</mo></mrow><mi>k</mi></munder><msub><mi>B</mi><mi>k</mi></msub><mo fence="true">)</mo></mrow><mo separator="true">,</mo></mrow><annotation encoding="application/x-tex">
    I\coloneqq\left(-\min_kA_k,\min_kB_k\right),
</annotation></semantics></math></span></span></span> which is the range of <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>s</mi></mrow><annotation encoding="application/x-tex">s</annotation></semantics></math></span></span> such that the concentration of all reactants are positive.</p>
<p>It is obvious that the value of <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>q</mi></mrow><annotation encoding="application/x-tex">q</annotation></semantics></math></span></span> is unique. It is because <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>F</mi></mrow><annotation encoding="application/x-tex">F</annotation></semantics></math></span></span> is monotonic over <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>I</mi></mrow><annotation encoding="application/x-tex">I</annotation></semantics></math></span></span> and the signs of its value at ends of interval <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>I</mi></mrow><annotation encoding="application/x-tex">I</annotation></semantics></math></span></span> are different.</p>
<p>Note that <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>q</mi></mrow><annotation encoding="application/x-tex">q</annotation></semantics></math></span></span> is a flaw of <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mfrac><mn>1</mn><mrow><mi>F</mi><mrow><mo fence="true">(</mo><mi>s</mi><mo fence="true">)</mo></mrow></mrow></mfrac></mrow><annotation encoding="application/x-tex">\frac1{F\left(s\right)}</annotation></semantics></math></span></span> and that the improper integral <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><msubsup><mo>∫</mo><mn>0</mn><mi>q</mi></msubsup><mfrac><mrow><mi mathvariant="normal">d</mi><mi>s</mi></mrow><mrow><mi>F</mi><mrow><mo fence="true">(</mo><mi>s</mi><mo fence="true">)</mo></mrow></mrow></mfrac></mrow><annotation encoding="application/x-tex">\int_0^q\frac{\mathrm ds}{F\left(s\right)}</annotation></semantics></math></span></span> diverges, so we can imagine how <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>s</mi></mrow><annotation encoding="application/x-tex">s</annotation></semantics></math></span></span> changes with respect to <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>t</mi></mrow><annotation encoding="application/x-tex">t</annotation></semantics></math></span></span>. <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>s</mi><mo>=</mo><mn>0</mn></mrow><annotation encoding="application/x-tex">s=0</annotation></semantics></math></span></span> when <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>t</mi><mo>=</mo><mn>0</mn></mrow><annotation encoding="application/x-tex">t=0</annotation></semantics></math></span></span>, and then <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>s</mi></mrow><annotation encoding="application/x-tex">s</annotation></semantics></math></span></span> changes monotonically, and finally <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>s</mi><mo>→</mo><mi>q</mi></mrow><annotation encoding="application/x-tex">s\rightarrow q</annotation></semantics></math></span></span> when <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>t</mi><mo>→</mo><mo>+</mo><mi mathvariant="normal">∞</mi></mrow><annotation encoding="application/x-tex">t\rightarrow+\infty</annotation></semantics></math></span></span>. Thus, the range of <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>s</mi></mrow><annotation encoding="application/x-tex">s</annotation></semantics></math></span></span> over
<span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>t</mi><mo>∈</mo><mrow><mo fence="true">[</mo><mn>0</mn><mo separator="true">,</mo><mo>+</mo><mi mathvariant="normal">∞</mi><mo fence="true">)</mo></mrow></mrow><annotation encoding="application/x-tex">t\in\left[0,+\infty\right)</annotation></semantics></math></span></span> is <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mo fence="true">[</mo><mn>0</mn><mo separator="true">,</mo><mi>q</mi><mo fence="true">)</mo></mrow><annotation encoding="application/x-tex">\left[0,q\right)</annotation></semantics></math></span></span> for <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>q</mi><mo>&gt;</mo><mn>0</mn></mrow><annotation encoding="application/x-tex">q&gt;0</annotation></semantics></math></span></span> or <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mo fence="true">(</mo><mi>q</mi><mo separator="true">,</mo><mn>0</mn><mo fence="true">]</mo></mrow><annotation encoding="application/x-tex">\left(q,0\right]</annotation></semantics></math></span></span> for <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>q</mi><mo>&lt;</mo><mn>0</mn></mrow><annotation encoding="application/x-tex">q&lt;0</annotation></semantics></math></span></span>. <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>q</mi><mo>=</mo><mn>0</mn></mrow><annotation encoding="application/x-tex">q=0</annotation></semantics></math></span></span> is not considered because only mathematicians believe in such coincidences.</p>
<p>Suppose <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>F</mi></mrow><annotation encoding="application/x-tex">F</annotation></semantics></math></span></span> has <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>n</mi></mrow><annotation encoding="application/x-tex">n</annotation></semantics></math></span></span> different complex zeros <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><msub><mi>r</mi><mi>α</mi></msub></mrow><annotation encoding="application/x-tex">r_\alpha</annotation></semantics></math></span></span>, one of which is <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>q</mi></mrow><annotation encoding="application/x-tex">q</annotation></semantics></math></span></span>. The possible existence of multiple roots is ignored because only mathematicians believe in such coincidences. Decompose the rational function <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mfrac><mn>1</mn><mrow><mi>F</mi><mrow><mo fence="true">(</mo><mi>s</mi><mo fence="true">)</mo></mrow></mrow></mfrac></mrow><annotation encoding="application/x-tex">\frac1{F\left(s\right)}</annotation></semantics></math></span></span> into several partial fractions, and it can be derived that <span id="eq:partial-fractions" data-label="(8)"><span class="katex-display-table"> <span class="katex-display-numbered"><span class="katex-display"><span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML" display="block"><semantics><mrow><mfrac><mn>1</mn><mrow><mi>F</mi><mtext> ⁣</mtext><mrow><mo fence="true">(</mo><mi>s</mi><mo fence="true">)</mo></mrow></mrow></mfrac><mo>=</mo><munder><mo>∑</mo><mi>α</mi></munder><mfrac><msub><mi>C</mi><mi>α</mi></msub><mrow><msub><mi>r</mi><mi>α</mi></msub><mo>−</mo><mi>s</mi></mrow></mfrac><mo separator="true">,</mo></mrow><annotation encoding="application/x-tex">\frac1{F\!\left(s\right)}=\sum_\alpha\frac{C_\alpha}{r_\alpha-s},</annotation></semantics></math></span></span></span></span> <span class="katex-display-number"><span class="katex-display"><span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML" display="block"><semantics><mrow><mo stretchy="false">(</mo><mn>8</mn><mo stretchy="false">)</mo></mrow><annotation encoding="application/x-tex">(8)</annotation></semantics></math></span></span></span></span> </span></span> where <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><msub><mi>C</mi><mi>α</mi></msub></mrow><annotation encoding="application/x-tex">C_\alpha</annotation></semantics></math></span></span> are undetermined coefficients.</p>
<p>Integrate Formula <a href="#eq:partial-fractions">8</a>, and then it can be derived that <span id="eq:integrated" data-label="(9)"><span class="katex-display-table"> <span class="katex-display-numbered"><span class="katex-display"><span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML" display="block"><semantics><mrow><mi>t</mi><mo>=</mo><mo>−</mo><munder><mo>∑</mo><mi>α</mi></munder><msub><mi>C</mi><mi>α</mi></msub><mi>ln</mi><mo>⁡</mo><mtext> ⁣</mtext><mrow><mo fence="true">(</mo><mn>1</mn><mo>−</mo><mfrac><mi>s</mi><msub><mi>r</mi><mi>α</mi></msub></mfrac><mo fence="true">)</mo></mrow></mrow><annotation encoding="application/x-tex">t=-\sum_\alpha C_\alpha\ln\!\left(1-\frac s{r_\alpha}\right)</annotation></semantics></math></span></span></span></span> <span class="katex-display-number"><span class="katex-display"><span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML" display="block"><semantics><mrow><mo stretchy="false">(</mo><mn>9</mn><mo stretchy="false">)</mo></mrow><annotation encoding="application/x-tex">(9)</annotation></semantics></math></span></span></span></span> </span></span> In most cases, Formula <a href="#eq:integrated">9</a> cannot be solved analytically and can only be solved numerically.</p>
<p>Note that if the coefficients <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><msub><mi>C</mi><mi>α</mi></msub></mrow><annotation encoding="application/x-tex">C_\alpha</annotation></semantics></math></span></span> are in general commensurable, Formula <a href="#eq:integrated">9</a> can be reduced into a rational equation. However, only mathematicians believe in such coincidences. However, if <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mi>n</mi><mo>=</mo><mn>2</mn></mrow><annotation encoding="application/x-tex">n=2</annotation></semantics></math></span></span>, it can be proved that the equation can be reduced into a rational one.</p>
<h2 data-label="0.4" id="example">Example</h2>
<p>The closed container that is highly thermally conductive is in a certain temperature environment, and the water-gas shift reaction <span class="katex-display"><span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML" display="block"><semantics><mrow><mrow><mi mathvariant="normal">C</mi><mi mathvariant="normal">O</mi></mrow><mrow/><mo>+</mo><mrow/><mi mathvariant="normal">H</mi><msub><mpadded width="0px"><mphantom><mi>X</mi></mphantom></mpadded><mpadded height="0px"><mn>2</mn></mpadded></msub><mi mathvariant="normal">O</mi><mo>⇌</mo><mrow><mi mathvariant="normal">C</mi><mi mathvariant="normal">O</mi></mrow><msub><mpadded width="0px"><mphantom><mi>X</mi></mphantom></mpadded><mpadded height="0px"><mn>2</mn></mpadded></msub><mrow/><mo>+</mo><mrow/><mi mathvariant="normal">H</mi><msub><mpadded width="0px"><mphantom><mi>X</mi></mphantom></mpadded><mpadded height="0px"><mn>2</mn></mpadded></msub></mrow><annotation encoding="application/x-tex">
    \ce{CO +H2O\rightleftharpoons CO2 +H2}
</annotation></semantics></math></span></span></span> occurs under the catalysis of a certain catalyst, where the forward rate constant <span class="katex-display"><span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML" display="block"><semantics><mrow><msub><mi>μ</mi><mn>1</mn></msub><mo>=</mo><mn>2.07</mn><mo>×</mo><mn>1</mn><msup><mn>0</mn><mrow><mo>−</mo><mn>4</mn></mrow></msup><mspace width="1em"/><mrow><mo fence="true">(</mo><mtext>SI</mtext><mo fence="true">)</mo></mrow><mo separator="true">,</mo></mrow><annotation encoding="application/x-tex">
    \mu_1=2.07\times10^{-4}\quad\left(\text{SI}\right),
</annotation></semantics></math></span></span></span> and the reverse rate constant <span class="katex-display"><span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML" display="block"><semantics><mrow><msub><mi>μ</mi><mn>2</mn></msub><mo>=</mo><mn>8.29</mn><mo>×</mo><mn>1</mn><msup><mn>0</mn><mrow><mo>−</mo><mn>6</mn></mrow></msup><mspace width="1em"/><mrow><mo fence="true">(</mo><mtext>SI</mtext><mo fence="true">)</mo></mrow><mi mathvariant="normal">.</mi></mrow><annotation encoding="application/x-tex">
    \mu_2=8.29\times10^{-6}\quad\left(\text{SI}\right).
</annotation></semantics></math></span></span></span> Initial concentrations are <span class="katex-display"><span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML" display="block"><semantics><mtable rowspacing="0.25em" columnalign="right" columnspacing=""><mtr><mtd><mstyle scriptlevel="0" displaystyle="true"><mrow><msub><mrow><mo fence="true">[</mo><mrow><mi mathvariant="normal">C</mi><mi mathvariant="normal">O</mi></mrow><mo fence="true">]</mo></mrow><mn>0</mn></msub><mo>=</mo><mn>10.00</mn><mspace width="1em"/><mrow><mo fence="true">(</mo><mtext>SI</mtext><mo fence="true">)</mo></mrow><mo separator="true">,</mo></mrow></mstyle></mtd></mtr><mtr><mtd><mstyle scriptlevel="0" displaystyle="true"><mrow><msub><mrow><mo fence="true">[</mo><mrow><mi mathvariant="normal">H</mi><msub><mpadded width="0px"><mphantom><mi>X</mi></mphantom></mpadded><mpadded height="0px"><mn>2</mn></mpadded></msub><mi mathvariant="normal">O</mi></mrow><mo fence="true">]</mo></mrow><mn>0</mn></msub><mo>=</mo><mn>20.00</mn><mspace width="1em"/><mrow><mo fence="true">(</mo><mtext>SI</mtext><mo fence="true">)</mo></mrow><mo separator="true">,</mo></mrow></mstyle></mtd></mtr><mtr><mtd><mstyle scriptlevel="0" displaystyle="true"><mrow><msub><mrow><mo fence="true">[</mo><mrow><mrow><mi mathvariant="normal">C</mi><mi mathvariant="normal">O</mi></mrow><msub><mpadded width="0px"><mphantom><mi>X</mi></mphantom></mpadded><mpadded height="0px"><mn>2</mn></mpadded></msub></mrow><mo fence="true">]</mo></mrow><mn>0</mn></msub><mo>=</mo><mn>30.00</mn><mspace width="1em"/><mrow><mo fence="true">(</mo><mtext>SI</mtext><mo fence="true">)</mo></mrow><mo separator="true">,</mo></mrow></mstyle></mtd></mtr><mtr><mtd><mstyle scriptlevel="0" displaystyle="true"><mrow><msub><mrow><mo fence="true">[</mo><mrow><mi mathvariant="normal">H</mi><msub><mpadded width="0px"><mphantom><mi>X</mi></mphantom></mpadded><mpadded height="0px"><mn>2</mn></mpadded></msub></mrow><mo fence="true">]</mo></mrow><mn>0</mn></msub><mo>=</mo><mn>40.00</mn><mspace width="1em"/><mrow><mo fence="true">(</mo><mtext>SI</mtext><mo fence="true">)</mo></mrow><mi mathvariant="normal">.</mi></mrow></mstyle></mtd></mtr></mtable><annotation encoding="application/x-tex">
\begin{split}
    \left[\ce{CO}\right]_0=10.00\quad\left(\text{SI}\right),\\
    \left[\ce{H2O}\right]_0=20.00\quad\left(\text{SI}\right),\\
    \left[\ce{CO2}\right]_0=30.00\quad\left(\text{SI}\right),\\
    \left[\ce{H2}\right]_0=40.00\quad\left(\text{SI}\right).
\end{split}
</annotation></semantics></math></span></span></span> Find
<span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mo fence="true">[</mo><mrow><mi mathvariant="normal">H</mi><msub><mpadded width="0px"><mphantom><mi>X</mi></mphantom></mpadded><mpadded height="0px"><mn>2</mn></mpadded></msub><mi mathvariant="normal">O</mi></mrow><mo fence="true">]</mo></mrow><annotation encoding="application/x-tex">\left[\ce{H2O}\right]</annotation></semantics></math></span></span> as a function of time.</p>
<p>Formula <a href="#eq:def-F">6</a> becomes <span class="katex-display"><span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML" display="block"><semantics><mrow><mi>F</mi><mtext> ⁣</mtext><mrow><mo fence="true">(</mo><mi>s</mi><mo fence="true">)</mo></mrow><mo><mi mathvariant="normal">≔</mi></mo><mn>8.29</mn><mo>×</mo><mn>1</mn><msup><mn>0</mn><mrow><mo>−</mo><mn>6</mn></mrow></msup><mrow><mo fence="true">(</mo><mn>30</mn><mo>−</mo><mi>s</mi><mo fence="true">)</mo></mrow><mrow><mo fence="true">(</mo><mn>40</mn><mo>−</mo><mi>s</mi><mo fence="true">)</mo></mrow><mo>−</mo><mn>2.07</mn><mo>×</mo><mn>1</mn><msup><mn>0</mn><mrow><mo>−</mo><mn>4</mn></mrow></msup><mrow><mo fence="true">(</mo><mn>10</mn><mo>+</mo><mi>s</mi><mo fence="true">)</mo></mrow><mrow><mo fence="true">(</mo><mn>20</mn><mo>+</mo><mi>s</mi><mo fence="true">)</mo></mrow><mspace width="1em"/><mrow><mo fence="true">(</mo><mtext>SI</mtext><mo fence="true">)</mo></mrow><mi mathvariant="normal">.</mi></mrow><annotation encoding="application/x-tex">
    F\!\left(s\right)\coloneqq8.29\times10^{-6}\left(30-s\right)\left(40-s\right)
    -2.07\times10^{-4}\left(10+s\right)\left(20+s\right)
    \quad\left(\text{SI}\right).
</annotation></semantics></math></span></span></span> It is a polynomial of <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mn>2</mn></mrow><annotation encoding="application/x-tex">2</annotation></semantics></math></span></span>nd degree. Its two roots are <span class="katex-display"><span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML" display="block"><semantics><mtable rowspacing="0.25em" columnalign="right" columnspacing=""><mtr><mtd><mstyle scriptlevel="0" displaystyle="true"><mrow><msub><mi>r</mi><mn>1</mn></msub><mo>=</mo><mo>−</mo><mn>28.65</mn><mspace width="1em"/><mrow><mo fence="true">(</mo><mtext>SI</mtext><mo fence="true">)</mo></mrow><mo separator="true">,</mo></mrow></mstyle></mtd></mtr><mtr><mtd><mstyle scriptlevel="0" displaystyle="true"><mrow><msub><mi>r</mi><mn>2</mn></msub><mo>=</mo><mo>−</mo><mn>5.53</mn><mspace width="1em"/><mrow><mo fence="true">(</mo><mtext>SI</mtext><mo fence="true">)</mo></mrow><mi mathvariant="normal">.</mi></mrow></mstyle></mtd></mtr></mtable><annotation encoding="application/x-tex">
\begin{split}
    r_1=-28.65\quad\left(\text{SI}\right),\\
    r_2=-5.53\quad\left(\text{SI}\right).
\end{split}
</annotation></semantics></math></span></span></span> Decomposing <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><mfrac><mn>1</mn><mrow><mi>F</mi><mrow><mo fence="true">(</mo><mi>s</mi><mo fence="true">)</mo></mrow></mrow></mfrac></mrow><annotation encoding="application/x-tex">\frac1{F\left(s\right)}</annotation></semantics></math></span></span> into partial fractions, we can derive that <span class="katex-display"><span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML" display="block"><semantics><mtable rowspacing="0.25em" columnalign="right" columnspacing=""><mtr><mtd><mstyle scriptlevel="0" displaystyle="true"><mrow><msub><mi>C</mi><mn>1</mn></msub><mo>=</mo><mo>−</mo><mn>217.654</mn><mspace width="1em"/><mrow><mo fence="true">(</mo><mtext>SI</mtext><mo fence="true">)</mo></mrow><mo separator="true">,</mo></mrow></mstyle></mtd></mtr><mtr><mtd><mstyle scriptlevel="0" displaystyle="true"><mrow><msub><mi>C</mi><mn>2</mn></msub><mo>=</mo><mn>217.654</mn><mspace width="1em"/><mrow><mo fence="true">(</mo><mtext>SI</mtext><mo fence="true">)</mo></mrow><mi mathvariant="normal">.</mi></mrow></mstyle></mtd></mtr></mtable><annotation encoding="application/x-tex">
\begin{split}
    C_1=-217.654\quad\left(\text{SI}\right),\\
    C_2=217.654\quad\left(\text{SI}\right).
\end{split}
</annotation></semantics></math></span></span></span> Thus, <span class="katex-display"><span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML" display="block"><semantics><mrow><mi>t</mi><mo>=</mo><mn>217.654</mn><mi>ln</mi><mo>⁡</mo><mtext> ⁣</mtext><mrow><mo fence="true">(</mo><mn>1</mn><mo>−</mo><mfrac><mi>s</mi><mrow><mo>−</mo><mn>28.65</mn></mrow></mfrac><mo fence="true">)</mo></mrow><mo>−</mo><mn>217.654</mn><mi>ln</mi><mo>⁡</mo><mtext> ⁣</mtext><mrow><mo fence="true">(</mo><mn>1</mn><mo>−</mo><mfrac><mi>s</mi><mrow><mo>−</mo><mn>5.53</mn></mrow></mfrac><mo fence="true">)</mo></mrow><mspace width="1em"/><mrow><mo fence="true">(</mo><mtext>SI</mtext><mo fence="true">)</mo></mrow><mi mathvariant="normal">.</mi></mrow><annotation encoding="application/x-tex">
    t=217.654\ln\!\left(1-\frac s{-28.65}\right)-
    217.654\ln\!\left(1-\frac s{-5.53}\right)
    \quad\left(\text{SI}\right).
</annotation></semantics></math></span></span></span> Since <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><msub><mi>C</mi><mn>1</mn></msub></mrow><annotation encoding="application/x-tex">C_1</annotation></semantics></math></span></span> and <span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><msub><mi>C</mi><mn>2</mn></msub></mrow><annotation encoding="application/x-tex">C_2</annotation></semantics></math></span></span> are in general commensurable, we can solve the equation analytically into <span class="katex-display"><span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML" display="block"><semantics><mrow><mi>s</mi><mo>=</mo><mfrac><mrow><mn>5.53</mn><mrow><mo fence="true">(</mo><mn>1</mn><mo>−</mo><mn>1.004</mn><msup><mn>6</mn><mi>t</mi></msup><mo fence="true">)</mo></mrow></mrow><mrow><mn>1.004</mn><msup><mn>6</mn><mi>t</mi></msup><mo>−</mo><mn>0.1929</mn></mrow></mfrac><mspace width="1em"/><mrow><mo fence="true">(</mo><mtext>SI</mtext><mo fence="true">)</mo></mrow><mi mathvariant="normal">.</mi></mrow><annotation encoding="application/x-tex">
    s=\frac{5.53\left(1-1.0046^t\right)}{1.0046^t-0.1929}
    \quad\left(\text{SI}\right).
</annotation></semantics></math></span></span></span> Use Formula <a href="#eq:result">7</a>, and then we can find the answer <span class="katex-display"><span class="katex"><span class="katex-mathml"><math xmlns="http://www.w3.org/1998/Math/MathML" display="block"><semantics><mrow><mrow><mo fence="true">[</mo><mrow><mi mathvariant="normal">H</mi><msub><mpadded width="0px"><mphantom><mi>X</mi></mphantom></mpadded><mpadded height="0px"><mn>2</mn></mpadded></msub><mi mathvariant="normal">O</mi></mrow><mo fence="true">]</mo></mrow><mo>=</mo><mn>20</mn><mo>+</mo><mfrac><mrow><mn>5.53</mn><mrow><mo fence="true">(</mo><mn>1</mn><mo>−</mo><mn>1.004</mn><msup><mn>6</mn><mi>t</mi></msup><mo fence="true">)</mo></mrow></mrow><mrow><mn>1.004</mn><msup><mn>6</mn><mi>t</mi></msup><mo>−</mo><mn>0.1929</mn></mrow></mfrac><mspace width="1em"/><mrow><mo fence="true">(</mo><mtext>SI</mtext><mo fence="true">)</mo></mrow><mi mathvariant="normal">.</mi></mrow><annotation encoding="application/x-tex">
    \left[\ce{H2O}\right]=20+
    \frac{5.53\left(1-1.0046^t\right)}{1.0046^t-0.1929}
    \quad\left(\text{SI}\right).
</annotation></semantics></math></span></span></span></p>]]></content><author><name>UlyssesZhan</name><email>ulysseszhan@gmail.com</email></author><category term="chemistry" /><category term="calculus" /><category term="ode" /><category term="chemical reaction" /><category term="long paper" /><summary type="html"><![CDATA[A reversible elementary reaction takes place inside a closed, highly thermally conductive container of constant volume, whose reactants are all gases. Given the reaction equations and the reaction rate constants, a natural question to ask is how the concentration of each gas changes w.r.t. time. In this article, I will answer this question by proposing a general approach to solve it.]]></summary><media:thumbnail xmlns:media="http://search.yahoo.com/mrss/" url="https://ulysseszh.github.io/assets/images/covers/2020-04-12-concentration-time.png" /><media:content medium="image" url="https://ulysseszh.github.io/assets/images/covers/2020-04-12-concentration-time.png" xmlns:media="http://search.yahoo.com/mrss/" /></entry></feed>