Formula List for CLC346/ CLB346/ CLB383

General

CA = FA/q = nA/V (for constant density system)

Arrhenius Equation: kA = ko exp (–EA/RT)

Fractional conversion of A: fA = (nAO – nA)/nAO = (FAO – FA)/FAO

Batch Reactor

Design equation: (–rA) = – dCA/dt

Time to achieve a specified fractional conversion:

fA2
t = nAO dfA/[(–rA)V]

fA1

Rate of production of C on a continual basis: Pr(C) = vC fA CAO V/ (t + td)

Continuous Stirred Tank Reactor

Design equation: (–rA) = FAO fA/V = (CAOqO – CAq)/V

Volume of CSTRs in series: Vi = FAO (fAi – fA, i–1 ) / (–rA)i

Plug Flow Tubular Reactor

Design equation: (–rA) = FAOdfA/dV

PFTR with recycle: C’AO = (CAO + RCA1)/ (1 + R)

Volume of reacting system required to achieve a specified fractional conversion:

CA1
V/qo = t = – (1 + R) dCA/(–rA)

C’A0
Multiple Reactions

Irreversible first-order series reaction in a batch reactor

CA(t) = CAOe–k1t
CB(t) = CAO * {k1/(k2 – k1)} (e-k1t – e –k2t)
CC(t) = CAO [( 1– {k2/(k2 – k1)} e –k1t + {k1/(k2 – k1)} e–k2t ]

Irreversible first-order series reaction in a CSTR

CA(t) = CAO / (1 + k1t)
CB (t) = k1 CAO t /{(1 + k1t) (1 + k2t)}
CC (t) = k1 k2 CAO t 2 / {(1 + k1t) (1 + k2t)}

Irreversible first-order parallel reactions in a batch reactor

CA(t) = CAO e –(k1 + k2) t
CB(t) = CAO {k1/(k1 + k2)} [1 – e –(k1 + k2) t ]
CC(t) = CAO {k2/(k1 + k2)} [1 – e –(k1 + k2) t ]

Irreversible first-order parallel reactions in a CSTR

CA (t) = CAO /[1 + {(k1 + k2) t}]
CB (t) = t k1 CAO/ [1 + {(k1 + k2 ) t}]
CC (t) = t k2 CAO/ [1 + {(k1 + k2 ) t}]

Thermal Effects

Energy balance in a batch reactor:

dT/dt = {(– ΔHR) (–rA)/ (ρ Cp ) } – U Ac {(T – Tc)/ (V ρ Cp )}

Energy balance in a CSTR:

dH/dt = ρ Cp V dT/dt = q ρ Cp (To – T) + V (– Δ HR) (–rA) – {U AC (T – Tc)} + Ws

Energy balance in a PFTR:

u dT/dz = (– Δ HR) (–rA)/ ρ Cp – {U pw (T – Tc)} /At ρ Cp

Catalytic Reactions

Thiele’s modulus ф = ( 4 k”/ {dp DA}) 0.5

Common Derivatives and Integrals

𝑑
𝑛=0
𝑑𝑥

𝑑
𝑥=1
𝑑𝑥

𝑑 𝑛
𝑥 = 𝑛𝑥 𝑛−1
𝑑𝑥

𝑑 𝑎𝑥
𝑒 = 𝑎𝑒 𝑎𝑥
𝑑𝑥

∫ 1 𝑑𝑥 = 𝑥 + 𝐶

𝑛
𝑥 𝑛+1
∫ 𝑥 𝑑𝑥 = +𝐶
𝑛+1

𝑒 𝑎𝑥
∫ 𝑒 𝑎𝑥 𝑑𝑥 = +𝐶
𝑎

1
∫ 𝑑𝑥 = ln 𝑥 + 𝐶
𝑥