Math Problem Statement

In an elementary chemical reaction, single molecules of two reactants A and B form a molecule of the product C: A + B -> C. The law of mass action states that the rate of reaction is proportional to the product of the concentrations of A and B. Assuming [A] = a moles/L and [B] = b moles/L, find x(t), the concentration of the product C, for both cases where a ≠ b and a = b.

Solution

This problem deals with a chemical reaction following the law of mass action, where the rate of reaction depends on the concentrations of two reactants AA and BB, which form a product CC. The given rate equation is:

[ \frac{d[C]}{dt} = k[A][B] ]

This is rewritten in terms of x=[C]x = [C], the concentration of the product CC, and initial concentrations of AA and BB as aa and bb, respectively:

dxdt=k(ax)(bx)\frac{dx}{dt} = k(a - x)(b - x)

Part (a)

We need to find x(t)x(t) assuming aba \neq b, with the initial condition x(0)=0x(0) = 0. To solve this differential equation:

  1. Separate the variables: 1(ax)(bx)dx=kdt\frac{1}{(a - x)(b - x)} dx = k \, dt

  2. Perform partial fraction decomposition to split the left-hand side: 1(ax)(bx)=1ab(1ax1bx)\frac{1}{(a - x)(b - x)} = \frac{1}{a - b} \left( \frac{1}{a - x} - \frac{1}{b - x} \right)

  3. Integrate both sides: 1ab(lnaxbx)=kt+C\frac{1}{a - b} \left( \ln \left| \frac{a - x}{b - x} \right| \right) = kt + C

    Since x(0)=0x(0) = 0, use the initial condition to solve for CC: 1ab(lnab)=C\frac{1}{a - b} \left( \ln \left| \frac{a}{b} \right| \right) = C So, C=1abln(ab)C = \frac{1}{a - b} \ln \left( \frac{a}{b} \right)

  4. After simplifying, the expression for x(t)x(t) becomes: ln(ax)(b)(bx)(a)=k(ab)t\ln \left| \frac{(a - x)(b)}{(b - x)(a)} \right| = k(a - b)t Finally, solve for x(t)x(t).

Part (b)

In this case, a=ba = b. The differential equation simplifies to:

dxdt=k(ax)2\frac{dx}{dt} = k(a - x)^2

This can be solved by separating variables:

1(ax)2dx=kdt\frac{1}{(a - x)^2} dx = k \, dt

Integrating both sides:

1(ax)2dx=kdt\int \frac{1}{(a - x)^2} dx = \int k \, dt

The left side integrates to: 1ax=kt+C\frac{-1}{a - x} = kt + C

Using the initial condition x(0)=0x(0) = 0, we find CC. The solution is then:

x(t)=a(111+akt)x(t) = a \left( 1 - \frac{1}{1 + ak t} \right)

Finally, we simplify for x(t)x(t) given that after 20 seconds, x(20)=a2x(20) = \frac{a}{2}, and solve for kk.

Would you like further explanation or details on any step?

Here are 5 related questions to expand on this topic:

  1. How does the solution change if we assume the reaction is reversible?
  2. How can we apply this type of rate equation to more complex reactions with multiple steps?
  3. What would happen to the rate equation if a catalyst were introduced?
  4. How do the initial concentrations of AA and BB affect the time to reach equilibrium?
  5. Can you solve the equation for x(t)x(t) numerically using given values of kk, aa, and bb?

Tip: Understanding how to manipulate differential equations using separation of variables is crucial for solving many reaction-rate problems in chemistry.

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Math Problem Analysis

Mathematical Concepts

Differential Equations
Separation of Variables
Partial Fraction Decomposition

Formulas

Rate Law: d[C]/dt = k[A][B]
dx/dt = k(a - x)(b - x)
Partial Fraction Decomposition: 1/((a - x)(b - x)) = 1/(a - b) * (1/(a - x) - 1/(b - x))

Theorems

Law of Mass Action
Separation of Variables
Integration of Rational Functions

Suitable Grade Level

Undergraduate (Chemistry/Mathematics)