Reaction kinetics
- First order
- ln(CA/CA0) = −kt
- Half-life (first order)
- t½ = ln 2/k
- Second order
- 1/CA = 1/CA0 + kt
- Arrhenius
- k = A·e−Ea/(RT)
- Two temperatures
- ln(k2/k1) = (Ea/R)(1/T1 − 1/T2)
Chemical Reaction Engineering: cram pack
Formula sheets, the key method steps for every topic and 8 practice problems, with full solutions at the back.
1Formulas and methods
Reactor sizing (CSTR & PFR)
- Space time
- τ = V/Q
- CSTR, first order
- τ = X/(k·(1 − X)), CA = CA0/(1 + kτ)
- PFR, first order
- τ = ln(1/(1 − X))/k, CA = CA0·e−kτ
- Conversion from volume
- CSTR: X = kτ/(1 + kτ), PFR: X = 1 − e−kτ
- N equal CSTRs in series
- X = 1 − 1/(1 + kτi)N
Chemical equilibrium
- Equilibrium constant
- Kc = [C]c[D]d/([A]a[B]b)
- ICE table
- Initial, Change (×coefficient), Equilibrium
- Quadratic
- x = (−b + √(b² − 4ac))/(2a)
Method
- Write Kc with products over reactants, each raised to the power of its coefficient.
- Set up an ICE table: Initial, Change (in steps of x times the coefficients), Equilibrium.
- Put the equilibrium expressions into Kc and solve for x.
- Check whether x is small enough for an approximation; otherwise solve the quadratic.
Mass balance
- Steady state
- in = out
- Total balance
- ṁ1 + ṁ2 = ṁ3
- Component balance
- ṁ1x1 + ṁ2x2 = ṁ3x3
- Evaporator
- F·xF = P·xP, W = F − P
2Practice problems
1.Reaction kineticsMedium
A reaction with rate law −rA = k·CA² has k = 0.8 L/(mol·min) and starts at 1.5 mol/L. Find the concentration CA after 5 min.
k = 0.8 L/(mol·min)CA0 = 1.5 mol/Lt = 5 min
CA = mol/L
2.Reaction kineticsHard
A first-order reaction has k = 0.005 min⁻¹ at 25 °C and an activation energy of 90 kJ/mol. The batch reactor is now run at 50 °C for 30 min. Find the conversion X reached.
k1 = 0.005 min⁻¹T1 = 25 °CEa = 90 kJ/molT2 = 50 °Ct = 30 minR = 8.314 J/(mol·K)
X = %
3.Reactor sizing (CSTR & PFR)Medium
A first-order liquid-phase reaction A → B with k = 0.4 min⁻¹ is carried out in a plug-flow reactor (PFR) fed at 100 L/min. The density is constant and the reactor is at steady state. Find the reactor volume V in litres for 80% conversion of A.
Q = 100 L/mink = 0.4 min⁻¹X = 80%
V = L
4.Reactor sizing (CSTR & PFR)Hard
A first-order liquid-phase reaction (k = 0.15 min⁻¹) runs in a 200 L plug-flow reactor (PFR) fed at 40 L/min. The density is constant and the reactor is at steady state. Find the conversion X in percent.
V = 200 LQ = 40 L/mink = 0.15 min⁻¹
X = %
5.Chemical equilibriumMedium
1 mol/L of H₂ and 1 mol/L of I₂ are put in a container and react: H₂ + I₂ ⇌ 2HI, with Kc = 25. Find the equilibrium concentration [HI].
[H₂]₀ = [I₂]₀ = 1 mol/LKc = 25
[HI] = mol/L
6.Chemical equilibriumHard
PCl₅ decomposes: PCl₅ ⇌ PCl₃ + Cl₂, with Kc = 0.05 at the reaction temperature. A container starts with 0.1 mol/L of PCl₅ only. Find the equilibrium concentration [PCl5].
[PCl₅]₀ = 0.1 mol/LKc = 0.05
[PCl5] = mol/L
7.Mass balanceMedium
How much of stream 2 must be added each hour to stream 1 so that the blended product contains 30% salt? Find ṁ2.
ṁ1 = 300 kg/hx1 = 20 %x2 = 45 %x3 = 30 %
ṁ2 = kg/h
8.Mass balanceHard
An evaporator concentrates a NaOH solution by boiling off pure water. Find the product flow P in kg/h.
F = 4100 kg/hxF = 10 %xP = 65 %
P = kg/h
3Solutions
1.Reaction kinetics
Answer: CA = 0.2143 mol/L
Reaction rates: for a first-order reaction −dC/dt = kC, so C = C₀·e−kt and the half-life ln 2/k does not depend on concentration. For a second-order reaction 1/C = 1/C₀ + kt. The rate constant rises with temperature following Arrhenius: k = A·e−Ea/(RT).
Integrated second-order law
1/CA = 1/CA0 + kt = 0.6667 + 0.8·5 = 4.667 L/mol
CA = 1/4.667 = 0.2143 mol/L
Answer
CA = 0.2143 mol/L
2.Reaction kinetics
Answer: X = 91.7 %
Reaction rates: for a first-order reaction −dC/dt = kC, so C = C₀·e−kt and the half-life ln 2/k does not depend on concentration. For a second-order reaction 1/C = 1/C₀ + kt. The rate constant rises with temperature following Arrhenius: k = A·e−Ea/(RT).
Rate constant at the new temperature
T1 = 298.1 K, T2 = 323.1 K
k2 = 0.005·e−(90000/8.314)·(1/323.1 − 1/298.1) = 0.08296 min⁻¹
Conversion
X = 1 − e−0.08296·30 = 1 − 0.08302 = 91.7 %
Answer
X = 91.7 %
3.Reactor sizing (CSTR & PFR)
Answer: V = 402.4 L
Ideal reactors, first-order reaction (−rA = k·CA) at steady state, with space time τ = V/Q. A CSTR is perfectly mixed, so the whole volume reacts at the low outlet concentration: τ = X/(k·(1 − X)) and CA = CA0/(1 + k·τ). In a PFR each slice of fluid reacts like a small batch reactor: τ = ln(1/(1 − X))/k and CA = CA0·e−k·τ. For the same conversion a CSTR always needs more volume than a PFR.
Space time
τ = ln(1/(1 − 0.8))/0.4 = 1.609/0.4 = 4.024 min
Volume
V = Q·τ = 100·4.024 = 402.4 L
Answer
V = 402.4 L
4.Reactor sizing (CSTR & PFR)
Answer: X = 52.76 %
Ideal reactors, first-order reaction (−rA = k·CA) at steady state, with space time τ = V/Q. A CSTR is perfectly mixed, so the whole volume reacts at the low outlet concentration: τ = X/(k·(1 − X)) and CA = CA0/(1 + k·τ). In a PFR each slice of fluid reacts like a small batch reactor: τ = ln(1/(1 − X))/k and CA = CA0·e−k·τ. For the same conversion a CSTR always needs more volume than a PFR.
Space time
τ = V/Q = 200/40 = 5 min, kτ = 0.15·5 = 0.75
Conversion
X = 1 − e−kτ = 1 − e−0.75 = 52.76%
Answer
X = 52.76%
5.Chemical equilibrium
Answer: [HI] = 1.429 mol/L
Chemical equilibrium: for aA + bB ⇌ cC + dD, the equilibrium constant is Kc = [C]c[D]d/([A]a[B]b), using concentrations at equilibrium. An ICE table (Initial, Change, Equilibrium) links the starting amounts to the equilibrium amounts through one unknown x, scaled by the coefficients.
Equilibrium expression
25 = (2x)²/(1 − x)²
Take the square root
5 = 2x/(1 − x) → x = 1·5/(2 + 5) = 0.7143 mol/L
Equilibrium concentration
[HI] = 2x = 1.429 mol/L
Answer
[HI] = 1.429 mol/L
6.Chemical equilibrium
Answer: [PCl5] = 0.05 mol/L
Chemical equilibrium: for aA + bB ⇌ cC + dD, the equilibrium constant is Kc = [C]c[D]d/([A]a[B]b), using concentrations at equilibrium. An ICE table (Initial, Change, Equilibrium) links the starting amounts to the equilibrium amounts through one unknown x, scaled by the coefficients.
Equilibrium expression
0.05 = x²/(0.1 − x) → x² + 0.05·x − 0.005 = 0
Solve the quadratic
x = (−0.05 + √(0.05² + 4·0.005))/2 = 0.05 mol/L
Equilibrium concentration
[PCl₅] = 0.1 − 0.05 = 0.05 mol/L
Answer
[PCl5] = 0.05 mol/L
7.Mass balance
Answer: ṁ2 = 200 kg/h
Steady-state mass balance: in = out for the total and for each component. Blending problems combine both.
Balances
Total: ṁ3 = ṁ1 + ṁ2
salt: ṁ1x1 + ṁ2x2 = (ṁ1 + ṁ2)x3
Solve for ṁ2
ṁ2 = ṁ1(x1 − x3)/(x3 − x2) = 300·(20 − 30)/(30 − 45) = 200 kg/h
Answer
ṁ2 = 200 kg/h
8.Mass balance
Answer: P = 630.8 kg/h
Tie component: a component that passes through unchanged in one stream (here the solute) links the flows directly. Then the total balance gives the rest.
Solute balance
F·xF = P·xP → P = 4100·10/65 = 630.8 kg/h
Answer
P = 630.8 kg/h
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