LECTURE 17

Adding It All Up

The integral — from rates back to amounts

You know the reaction rate at every instant:

$$\text{Rate}(t) = k[A]_0 e^{-kt}$$

Question: How much product formed between t = 0 and t = 10 seconds?

The rate tells you how fast — but you want how much.

You need to add up all the infinitesimal amounts formed at each instant.

That's the integral.

Recognition: ACCUMULATION

The derivative takes amounts → rates.
The integral takes rates → amounts.
They are inverse operations.

Derivative Integral
Position → Velocity Velocity → Position
Concentration → Rate Rate → Concentration change
Energy → Force Force → Work
Charge → Current Current → Charge

When to Use Integrals

Situation Integral gives you
"How much total?" ∫ rate dt
"Area under this curve?" ∫ f(x) dx
"Work done by varying force" ∫ F dx
"Total probability" ∫ P(x) dx
"Average value" (1/(b-a)) ∫ f(x) dx

The Idea: Riemann Sums

How do you find the area under $y = f(x)$ from $x = a$ to $x = b$?

Strategy: Approximate with rectangles, then take the limit as rectangles become infinitely thin.

Interactive: Riemann Sums
Riemann sum: 2.625
Exact integral (8/3): 2.6667
Error: 0.0417

The Definite Integral: As n → ∞ (rectangles become infinitely thin):

$$\lim_{n \to \infty} \sum_{i=1}^{n} f(x_i^*) \Delta x = \int_a^b f(x) \, dx$$

The Fundamental Theorem of Calculus

FTC Part 1

If $f$ is continuous on $[a,b]$ and $F$ is any antiderivative of $f$, then:

$$\int_a^b f(x) \, dx = F(b) - F(a)$$

Integration and differentiation are inverse operations.

To evaluate a definite integral:

  1. Find an antiderivative $F(x)$
  2. Evaluate at endpoints: $F(b) - F(a)$

No need for Riemann sums!

FTC Part 2

$$\frac{d}{dx}\left[\int_a^x f(t) \, dt\right] = f(x)$$

The derivative of the "area so far" function is the original function.

Basic Antiderivatives

f(x) ∫f(x)dx Notes
$x^n$ (n ≠ -1) $\frac{x^{n+1}}{n+1} + C$ Power rule
$x^{-1} = 1/x$ $\ln|x| + C$ Special case
$e^x$ $e^x + C$
$a^x$ $\frac{a^x}{\ln a} + C$
$\sin x$ $-\cos x + C$
$\cos x$ $\sin x + C$

Chemistry Application: Work

For reversible expansion of a gas:

$$W = -\int_{V_1}^{V_2} P \, dV$$

Interactive: Work Done by Gas (Isothermal Expansion)
Temperature: 300 K
Moles: 1 mol
Work done BY gas: 2285 J

Isothermal Expansion of Ideal Gas

$P = nRT/V$ (constant T):

$$W = -\int_{V_1}^{V_2} \frac{nRT}{V} \, dV = -nRT \ln\frac{V_2}{V_1}$$

Chemistry Application: Product Formation

For a first-order reaction A → B with rate $= k[A]_0 e^{-kt}$:

Interactive: Accumulating Product from Rate
Initial [A]₀: 1.00 M
Product formed [B]: 0.865 M
% conversion: 86.5%

Total Product Formed

$$\Delta[B] = \int_0^t k[A]_0 e^{-kt} \, dt = [A]_0(1 - e^{-kt})$$

As t → ∞, all A converts to B: Δ[B] = [A]₀

The Gaussian Integral

The most important integral in science:

$$\int_{-\infty}^{\infty} e^{-x^2} \, dx = \sqrt{\pi}$$

Interactive: Gaussian Function
∫ e^(-ax²) dx = √(π/1) = 1.772

Generalization

$$\int_{-\infty}^{\infty} e^{-ax^2} \, dx = \sqrt{\frac{\pi}{a}}$$

This integral appears everywhere:

Computing Integrals: Substitution

u-Substitution: If the integrand has form $f(g(x))g'(x)$, let $u = g(x)$:

$$\int f(g(x)) g'(x) \, dx = \int f(u) \, du$$

Example

Evaluate $\int 2x \cos(x^2) \, dx$

Let $u = x^2$, then $du = 2x\, dx$.

$$\int 2x \cos(x^2) \, dx = \int \cos(u) \, du = \sin(u) + C = \sin(x^2) + C$$

Check: $\frac{d}{dx}[\sin(x^2)] = \cos(x^2) \cdot 2x$ ✓

Improper Integrals

When limits are infinite:

$$\int_a^{\infty} f(x) \, dx = \lim_{b \to \infty} \int_a^b f(x) \, dx$$

The p-Test

$$\int_1^{\infty} \frac{1}{x^p} \, dx \begin{cases} \text{converges} & \text{if } p > 1 \\ \text{diverges} & \text{if } p \leq 1 \end{cases}$$

Integral Result
$\int_1^{\infty} \frac{1}{x^2} dx$ = 1 (converges)
$\int_1^{\infty} \frac{1}{x} dx$ = ∞ (diverges)
$\int_0^{\infty} e^{-2x} dx$ = 1/2 (converges)

Summary: Integral Toolkit

Concept Formula
FTC $\int_a^b f(x)dx = F(b) - F(a)$
Power rule $\int x^n dx = \frac{x^{n+1}}{n+1} + C$
Substitution $\int f(g(x))g'(x)dx = \int f(u)du$
Average value $\langle f \rangle = \frac{1}{b-a}\int_a^b f(x)dx$
Gaussian $\int e^{-ax^2}dx = \sqrt{\pi/a}$

Chemistry Applications

Application Integral
Work (PV) $W = -\int P\,dV$
Heat $q = \int C_P \, dT$
Product formed $\Delta[B] = \int \text{rate}\, dt$
Normalization $\int P(x)\,dx = 1$
Expectation $\langle x \rangle = \int x P(x)\,dx$