Lecture 08

Non-Segregated Model:

If there is mixing, the fluid elements lose their identities; they cannot be tracked.

→ There are 𝐽 & 𝐽′ (RTDs) for a mixed reactor, but they cannot be used to determine
conversion:

𝑋 ≠ ∫ 𝑋(𝑡)𝐽′ (𝑡)𝑑𝑡 (≠ ∑ 𝑋(𝑡)𝐽′ (𝑡)Δ𝑡 )

Ex:

𝐽(𝑡) 𝑎𝑛𝑑
or 𝑃𝐹𝑅
𝐶𝑆𝑇𝑅 𝜏𝑃𝐹𝑅 𝐽′ (𝑡) 𝑎𝑟𝑒
𝑡ℎ𝑒 𝑠𝑎𝑚𝑒 𝑖𝑛
𝑡ℎ𝑒𝑠𝑒 𝑐𝑜𝑛𝑓𝑖𝑔𝑢𝑟𝑎𝑡𝑖𝑜𝑛𝑠

𝑃𝐹𝑅 𝐶𝑆𝑇𝑅
𝜏𝑃𝐹𝑅

But, they do not yield the same conversion, and one cannot use 𝑋 ≠ ∫ 𝑋(𝑡)𝐽′ (𝑡)𝑑𝑡. (1st order
reaction is an exception)

⇒ All it means is that ‘RTD’ is not good enough/sufficient to characterize the performance of the
non-segregated or mixed reactors, or determine the conversion. One also requires to
quantify/determine the extent or rate of mixing, unlike the situation of macro-mixing in which
case the segregated model uses only one parameter (RTD) to determine the conversion. Non-
segregated model has two parameters: RTD and the extent of mixing (rate of mixing or where &
when mixing takes place, or the actual path of mixing). In other words, we need additional details
of mixing. Average residence or mixing time alone is not good enough (1st order reaction is an
exception).

⇒ Mechanistically, in mixed (non-segregated) reactors the average time a fluid element spends
in the reactor is equally important as the actual path and speed of the fluid element to determine
the conversion. Two non-segregated or mixed reactors may have the same RTD but different
extent (early or late) of mixing and therefore, different conversions (1st order reaction is an
exception).

⇒ Re-visit the two configurations consisting of an ideal CSTR and an ideal PFR. In one
configuration, there is an early mixing followed by late mixing; in the other late mixing is followed

1
by early mixing. From the kinetic rate (𝑜𝑟𝑑𝑒𝑟, 𝑛 > 0) viewpoint, the first configuration
represents the low-rate reactor followed by the high-rate reactor; the second configuration has
the reverse situation. First-order reaction is an exception, discussed earlier. Therefore, an ideal
CSTR reactor can still be treated as a segregated reactor for a 1st order reaction and

𝑋 = ∫ 𝑋(𝑡)𝐽′ (𝑡)𝑑𝑡)
𝑏𝑎𝑡𝑐ℎ 𝑟𝑒𝑎𝑐𝑡𝑜𝑟

⇒ There are two commonly used non-segregated models

a) Mixing Cells → two parameters : RTD and ‘n’ (# of ideal CSTRs in series)
b) Dispersion ⇒ two parameters: RTD and ′𝑃𝑒 ′ (or dispersion number)

In both models, the second parameter characterizes extent (early or late) of mixing or dispersion
in the flow – direction. In the extreme situation, 𝑛 = 1 (ideal CSTR) and 𝑛 → ∞ (large) (ideal
𝑉𝐿𝑐
PFR), or 𝑃𝑒 ( ) → 0 (ideal CSTR) and 𝑃𝑒 → ∞(large) (ideal PFR). A non-ideal or real reactor
𝐷
assumes an intermediate value for 𝑛 𝑜𝑟 𝑃𝑒 (in-between ‘infinite’ and ‘zero’ dispersion), i.e.
neither an ideal CSTR nor an ideal PFR.

a) Mixing Cell Model:

𝐶𝑜 𝐶1 𝐶2 𝐶𝑛 𝐶𝑁
𝑉 ≡ 𝑣 ⋯ ⋯
𝐴 1 2 𝑛 𝑁
Measure: 1) RTD of A (expt) (𝑉 ⁄𝑁) (Note: N = 1 for CSTR and → ∞ for PFR)

2) RTD of ‘N’ mix-reactors (analytical) 1<𝑛<𝑁

3) Determine ‘N’ by fitting the model with experimental data of the same RTD.

4) Qualitatively fit the data (an exact or statistical fitting is not required).

Species balance over ‘nth” reactor

𝑉 𝑑𝐶𝑛
𝐶𝑜 𝑣(𝐶𝑛−1 − 𝐶𝑛 ) = ( )
𝑁 𝑑𝑡
𝑂
i.e. 𝑡 = 0, 𝐶𝑛 = 0 for all ns (no tracer)

𝑡 = 0+ 𝐶𝑛 = 𝐶0 (𝑛 = 0)

(inlet to the 1st reactor)

2
 Use Laplace transformation ʆ𝐶𝑛 (𝑡) = 𝐶 (𝑠)
𝑉
𝑣(𝐶𝑛−1 − 𝐶𝑛 ) = 𝑠𝐶𝑛 (at the initial condition functional value is zero)
𝑁

𝜏 𝑉
𝑜𝑟 (1 + 𝑠 𝑁) 𝐶𝑛 − 𝐶𝑛−1 = 0 (𝜏 = 𝑣 )

𝜏
𝐶1 = 𝐶0 ⁄(1 + 𝑠 )
𝑁

𝜏 𝜏 2
𝐶2 = 𝐶1 ⁄(1 + 𝑠 ) = 𝐶0 ⁄(1 + 𝑠 )
𝑁 𝑁

𝜏 𝑛
𝐶𝑛 = 𝐶0 ⁄(1 + 𝑠 )
𝑁

𝑁 𝑛
𝜏 𝑛 𝐶0 ( )
𝐶𝑛 (𝑠) = 𝐶0 ⁄(1 + 𝑠 ) ⇒ 𝐶𝑛 = ʆ−1 [ 𝜏
𝑁 𝑛
]
𝑁 𝑠( 𝑠+ )
𝜏

𝑁 𝑛
𝐶0 ( )
𝐶𝑛 = ʆ−1 [ 𝜏
𝑁 𝑛
]
𝑠( 𝑠+ )
𝜏

𝐶𝑛 −
𝑁𝑡
𝑁𝑡 1 𝑁𝑡 2 1 𝑁𝑡 𝑛−1
𝐽(𝑡) ≡ =1−𝑒 𝜏 [1 + + ( 𝜏 ) + ⋯ + 𝑛−1! ( 𝜏 ) ]
𝐶0 𝜏 2!

See the textbooks and draw qualitatively but accurately:

Input:

𝐶𝑛 x ≡ expt tracer data

𝐽(𝑡) = for the real reactor
𝐶0
model lines =
3 increasing n different values for 𝑛.

5 15 ∞ (very large)

(𝑁𝑡⁄𝜏)

3
 15
𝐽′(𝑡)

3 5

(𝑁𝑡⁄𝜏)

(Also note that J′(t) = d(J(t))/dt ≡ same as analytically derived)

′
Model: Non-ideal (mixed) reactor of volume V ≡ 𝑁 ′ ideal CSTR of volume 𝑉 ⁄𝑁

Once ‘N’ is known, determine ‘X’ for ‘N’ ideal CSTR reactors (which have been discussed at the
UG level).

𝐶𝑜
𝑣, 𝐴 → Products
1 2 3 𝑛 𝑁

Species balance (SS): (𝐶𝑛−1 − 𝐶𝑛 )𝑣 = 𝑉 ⁄𝑁 (−𝑣𝐴 𝑟)

Reaction rate
𝑛 = 0, 𝐶𝐴 = 𝐶𝑜

1st order reaction,

𝜏
𝐶𝑛−1 − 𝐶𝑛 = 𝑘 𝐶𝑛
𝑁

𝑘𝜏
[(1 + ) 𝐸 − 1] 𝐶𝑛 = 0 (E is the shift operator)
𝑁
𝑛
1
𝐶𝑛 = 𝐶𝑜 ( 𝑘𝜏 )
1+
𝑁

𝐶𝑜 𝑘𝜏 𝑛
= (1 + ) ; 𝐶𝑁 = 𝐶𝑜 (1 − 𝑋𝐴 )
𝐶𝑛 𝑁

For the 2nd or other order of reaction → use numerical technique.

HW: (SMITH, 3rd ed) ≡ 6.3, 6.7, 6.15