在化学反应中,化合物 X 和 Y 反应生成一种产物。设 xx 和 yy 分别表示在实验开始后 tt 分钟时,XX 和 YY 的浓度,单位为摩尔每千升(mol/kL)。 XX 和 YY 的初始浓度分别由 x0x_0 和 y0y_0 mol/kL 给出。

  1. (a)

    在一个特定的实验中,当 YY 过量存在时,反应速率可以建模为准一级反应,从而得到微分方程 dxdt=−ax\dfrac{dx}{dt} = -ax,其中 aa 是一个正数常数。

    1. (i)

      求解该微分方程,用 tt、x0x_0 和 aa 表示 xx。

    2. (ii)

      该反应的半衰期记作 t0.5t_{0.5},定义为 XX 的浓度降低到其初始值一半所需的时间。证明 t0.5=ln⁡2at_{0.5} = \dfrac{\ln 2}{a}。

  2. (b)

    在化学家进行的另一项实验中,反应速率与 XX 的浓度与 YY 的浓度平方的乘积成正比。已知在反应过程中的任何时刻,每 1 mol 的 XX 与每 2 mol 的 YY 发生反应,得到方程 y0−y=2(x0−x)y_0 - y = 2(x_0 - x)。

    XX 和 YY 的初始浓度分别为 1 mol/kL 和 4 mol/kL。

    1. (i)

      证明 dxdt=−bx(x+1)2\dfrac{dx}{dt} = -bx(x+1)^2,其中 bb 是一个正数常数。

    2. (ii)

      已知在实验开始后 1 分钟的瞬间,XX 的浓度为 0.5 mol/kL。求实验开始后 2 分钟的瞬间 XX 的浓度,结果保留 3 位有效数字。

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完整解法

11(a)(i)

1. Separate the variables $x$ and $t$, and set up the integrals.

dxdt=−ax\frac{dx}{dt} = -ax
∫1x dx=∫−a dt\int \frac{1}{x} \, dx = \int -a \, dt

2. Integrate both sides to obtain the general solution.

ln⁡x=−at+C\ln x = -at + C
(Since xx represents concentration, x>0x > 0 and the absolute value can be omitted.)

3. Apply the initial condition to find the constant of integration.

Given that the initial concentration of XX is x0x_0, when t=0t = 0, x=x0x = x_0.
ln⁡x0=−a(0)+C\ln x_0 = -a(0) + C
C=ln⁡x0C = \ln x_0

4. Rearrange the equation to express $x$ in terms of $t$, $x_0$ and $a$.

ln⁡x=−at+ln⁡x0\ln x = -at + \ln x_0
ln⁡x−ln⁡x0=−at\ln x - \ln x_0 = -at
ln⁡(xx0)=−at\ln \left(\frac{x}{x_0}\right) = -at
xx0=e−at\frac{x}{x_0} = e^{-at}
x=x0e−atx = x_0 e^{-at}

答案

x=x0e−atx = x_0 e^{-at}

11(a)(ii)

1. Set up the equation using the given definition of half-life and the solution from part (a)(i).

From part (a)(i), the solution to the differential equation is x=x0e−atx = x_0 e^{-at}.

Given that t0.5t_{0.5} is the time taken for xx to reach half its initial value (x0x_0), substitute x=x02x = \frac{x_0}{2} and t=t0.5t = t_{0.5} into the equation:
x02=x0e−at0.5\frac{x_0}{2} = x_0 e^{-a t_{0.5}}

2. Simplify and solve the resulting exponential equation for $t_{0.5}$.

Divide both sides by x0x_0:
12=e−at0.5\frac{1}{2} = e^{-a t_{0.5}}

Take the natural logarithm on both sides:
ln⁡(12)=−at0.5\ln\left(\frac{1}{2}\right) = -a t_{0.5}
−ln⁡2=−at0.5-\ln 2 = -a t_{0.5}

t0.5=ln⁡2a (shown)t_{0.5} = \frac{\ln 2}{a} \text{ (shown)}

答案

t_{0.5} = \frac{\ln 2}{a} \text{ (shown)}

11(b)(i)

1. Express $y$ in terms of $x$ using the initial conditions.

Given the equation y0−y=2(x0−x)y_0 - y = 2(x_0 - x), and the initial concentrations x0=1x_0 = 1 and y0=4y_0 = 4:
4−y=2(1−x)4 - y = 2(1 - x)
y=4−2(1−x)y = 4 - 2(1 - x)
y=2+2x=2(x+1)y = 2 + 2x = 2(x + 1)

2. Formulate the differential equation and substitute $y$ to obtain the final equation.

The rate of the reaction (the rate of consumption of XX) is proportional to xy2xy^2. Since the concentration of XX is decreasing, its rate of change is negative:
dxdt=−kxy2for some constant k>0\frac{dx}{dt} = -k x y^2 \quad \text{for some constant } k > 0
Substituting y=2(x+1)y = 2(x+1) into the equation:
dxdt=−kx[2(x+1)]2\frac{dx}{dt} = -k x [2(x+1)]^2
dxdt=−4kx(x+1)2\frac{dx}{dt} = -4k x (x+1)^2
Letting b=4kb = 4k, which is a positive constant since k>0k > 0, we have:
dxdt=−bx(x+1)2(Shown)\frac{dx}{dt} = -bx(x+1)^2 \quad \text{(Shown)}

答案

Shown\text{Shown}

11(b)(ii)

1. Separate variables and perform partial fraction decomposition on the integrand.

dxdt=−bx(x+1)2\frac{\mathrm{d}x}{\mathrm{d}t} = -bx(x+1)^2
∫1x(x+1)2 dx=∫−b dt\int \frac{1}{x(x+1)^2} \,\mathrm{d}x = \int -b \,\mathrm{d}t
Let 1x(x+1)2=Ax+Bx+1+C(x+1)2\frac{1}{x(x+1)^2} = \frac{A}{x} + \frac{B}{x+1} + \frac{C}{(x+1)^2}.
1=A(x+1)2+Bx(x+1)+Cx1 = A(x+1)^2 + Bx(x+1) + Cx
Substituting x=0x = 0 gives A=1A = 1.
Substituting x=−1x = -1 gives C=−1C = -1.
Comparing coefficients of x2x^2: A+B=0  ⟹  B=−1A + B = 0 \implies B = -1.
Thus, 1x(x+1)2=1x−1x+1−1(x+1)2\frac{1}{x(x+1)^2} = \frac{1}{x} - \frac{1}{x+1} - \frac{1}{(x+1)^2}.

2. Integrate both sides to obtain the general solution.

∫(1x−1x+1−1(x+1)2)dx=∫−b dt\int \left( \frac{1}{x} - \frac{1}{x+1} - \frac{1}{(x+1)^2} \right) \mathrm{d}x = \int -b \,\mathrm{d}t
ln⁡∣x∣−ln⁡∣x+1∣+1x+1=−bt+C\ln|x| - \ln|x+1| + \frac{1}{x+1} = -bt + C
Since concentration x>0x > 0, this simplifies to:
ln⁡(xx+1)+1x+1=−bt+C\ln\left(\frac{x}{x+1}\right) + \frac{1}{x+1} = -bt + C

3. Use the initial condition $x = 1$ at $t = 0$ to find the constant of integration $C$.

From the problem context, the initial concentration of XX is 1 mol/kL1 \text{ mol/kL}, so x=1x = 1 when t=0t = 0.
Substituting t=0t = 0 and x=1x = 1:
ln⁡(12)+12=−b(0)+C\ln\left(\frac{1}{2}\right) + \frac{1}{2} = -b(0) + C
C=12−ln⁡2C = \frac{1}{2} - \ln 2
So the equation becomes:
ln⁡(xx+1)+1x+1=−bt+12−ln⁡2\ln\left(\frac{x}{x+1}\right) + \frac{1}{x+1} = -bt + \frac{1}{2} - \ln 2

4. Use the condition $x = 0.5$ at $t = 1$ to determine the constant $b$.

Given x=0.5x = 0.5 when t=1t = 1:
ln⁡(0.51.5)+11.5=−b(1)+12−ln⁡2\ln\left(\frac{0.5}{1.5}\right) + \frac{1}{1.5} = -b(1) + \frac{1}{2} - \ln 2
ln⁡(13)+23=−b+12−ln⁡2\ln\left(\frac{1}{3}\right) + \frac{2}{3} = -b + \frac{1}{2} - \ln 2
b=12−ln⁡2−ln⁡(13)−23b = \frac{1}{2} - \ln 2 - \ln\left(\frac{1}{3}\right) - \frac{2}{3}
b=ln⁡3−ln⁡2−16=ln⁡(32)−16b = \ln 3 - \ln 2 - \frac{1}{6} = \ln\left(\frac{3}{2}\right) - \frac{1}{6}

5. Substitute $t = 2$ and solve the resulting non-linear equation for $x$ using a graphing calculator.

Substitute t=2t = 2 and the value of bb:
ln⁡(xx+1)+1x+1=−2(ln⁡(32)−16)+12−ln⁡2\ln\left(\frac{x}{x+1}\right) + \frac{1}{x+1} = -2\left(\ln\left(\frac{3}{2}\right) - \frac{1}{6}\right) + \frac{1}{2} - \ln 2
ln⁡(xx+1)+1x+1=−2ln⁡(32)+13+12−ln⁡2\ln\left(\frac{x}{x+1}\right) + \frac{1}{x+1} = -2\ln\left(\frac{3}{2}\right) + \frac{1}{3} + \frac{1}{2} - \ln 2
ln⁡(xx+1)+1x+1=56−ln⁡(94×2)=56−ln⁡(92)\ln\left(\frac{x}{x+1}\right) + \frac{1}{x+1} = \frac{5}{6} - \ln\left(\frac{9}{4} \times 2\right) = \frac{5}{6} - \ln\left(\frac{9}{2}\right)
ln⁡(xx+1)+1x+1=56+ln⁡(29)≈−0.67074\ln\left(\frac{x}{x+1}\right) + \frac{1}{x+1} = \frac{5}{6} + \ln\left(\frac{2}{9}\right) \approx -0.67074
Using a graphing calculator to solve for x>0x > 0:
x≈0.31383…x \approx 0.31383 \dots
x=0.314 (to 3 s.f.)x = 0.314 \text{ (to 3 s.f.)}

答案

0.314 mol/kL0.314 \text{ mol/kL}

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