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2.1 Definition of conversion

以成份A為計算基準，除以成份A的計量係數

=>

每一個量都以”每莫耳A”為基準
Definition of X：
轉化率XA的定義是每莫耳A進料中，A的反應莫耳。

(1) For irreversible reactions: the maximum conversion is 1.0, i.e.,

complete conversion.
(2) For reversible reactions: the maximum conversion is the equilibrium
conversion, Xe=Xmax

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2.2 Batch Reactor Design Equations

In a batch reaction: X=f(t)
反應物在反應器中停留時間越久 => conversion
反應會一直進行，直到平衡或全部的反應物都消耗完畢。

達成轉化率X後，A在反應器中之莫耳數為

若反應速率在反應器中是均勻的，成份A在batch reactor 中的莫耳平衡

在eq. 2-2中，因反應物A是消耗的
=>
-rA：The rate of disappearance of A
For batch reactors:
由

Replace eq.2-5
=>

Batch reactor design equation

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Eq.2-6 =>

B.C.=>

=>

The integral form of the design equation for a batch reactor.

2.3 Design Equations For Flow Reactors

For continuous flow system:
t reactor volume X
=> X=f(V)
The bigger/longer the reactor：
=>The more time, it will take the reactants to flow completely
through the reactor.

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If FA0 is the molar flow rate of species A fed to a system operated at

steady state, the molar rate at which species A is reacting within the
entire system will be FA0X.

For liquid phase =>

Liquid system 常以莫耳濃度(morality)表示: CA0 = 2mol/dm3

For gas phase：

CA0 常由進料的溫度及壓力，利用ideal gas law or other gas law 計算
For an ideal gas：

CA0 :進料濃度, mol/dm3

yA0 :進料中A的莫耳分率
P0 :進料總壓, KPa
T0 :進料溫度, K
PA0=yA0P0 :進料分壓, Kpa
R :理想氣體常數=8.314 Kpa．dm3/mol．K
反應器大小與: (1) 流率
(2) 反應動力
(3) 反應條件
(4) 設計之轉化率

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2.3.1 CSTR
CSTR反應器中為混合完全均勻。

CSTR is perfectly
=>The exit composition from the reactor is identical to the
composition inside the reactor, and the rate of reaction is evaluated
at the exit conditions.

2.3.2 Tubular Flow Reactor (PFR)

The tubular reactor
=> plug flow
=> no radial gradients in concentration temperature, or reaction rate.

B.C. V=0, X=0

V=V, X=X

Eq.2-9=> Batch reactor

Eq.2-13=> CSTR
Eq.2-16=>PFR

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2.3.3 Packed-bed reactor

為tubular reactors 填滿catalyst practical
微分與積分的設計方程式與PFR相似。

當分析有壓降的反應器，必須使用此微分方程式。
B.C. :

在總壓為常數時，eq.2-18 決定達
成轉化率X所需之觸媒重量。

2.4 Sizing Continuous-Flow Reactors

For a first-order reaction

K: the specific reaction rate => k=f(T)

CA0:the entering concentration
eq.2-13 and eq.2-16

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For an isothermal gas-phase isomerization

CSTR=>

PFR=>

For a 1st order reaction

X=0 => C最大=>r最大

For all irreversible reactions of greater than zero order

X=0, rA 最大(-1/rA 最小)

通常考慮X=1.0時，所需之reactor volume

For all reversible reactions

(1) Maximum conversion => equilibrium conversion, Xe

(2) At equilibrium =>the reaction rate is zero, rA=0

=> In infinite reactor volume at equilibrium conversion, X=Xe

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2.5 Reactors in series

對串聯反應器而言，以下游的某特定點來定義轉化率。而不是任何單
一的反應器來定義。

在串聯反應器中，最好將轉化率X定義為每莫耳進入第一個反應器的A
成份在到達下游某特定點時的總反應莫耳數。
此定義只適用於:
(1) 沒有side stream (2)進料是由第一個反應器進入的串聯反應器

轉化率與莫耳流率間之關係為
PFR體積V1=
中間CSTR莫耳平衡為: FA1-FA2+rA2V2=0
=>

=>
第三個反應器體積

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2.5.1 CSTRs in series

First reactor:
在轉化率X1時，A之消失速率為-rA1
Reactor 1 之莫耳平衡:

在point 1之A莫耳流率為
結合eq.2-19 and eq.2-20

=>

Second reactor:
在轉化率X2時，A之消失速率為-rA2

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Approximating a PFR by a large number of CSTRs in series.

考慮一PFR由一系列以小且相同體積Vi之
CSTR所組合而成的。當達到相同轉化率
80%時，比較串聯CSTR之體積與單一PFR
之體積。

當由越多CSTR串聯時，此串聯體會越來越
接近單一PFR。
所以由無現多小CSTR串聯，可以用來模擬
單一PFR。
應用=>
(1) Modeling catalyst decay in packed-bed
reactors
(2) Transient heat effects in PFRs

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2.5.2 PFRs in series

當達成相同轉化率所需的總體積相同
=>兩個PFR串聯與使用單一個PFR並無差別

2.5.3
Combinations of CSTRs and PFRs in series
Examination:
(1) If 反應器大小不變，CSTR置於PFR前後，會得到不同最終轉化率X2
(2) 如果固定中間及最終轉化率，各個反應器的體積與總體積也會因為
不同的排列方式而不同

The volumes of the first two CSTRs in series.

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BC:

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2.5.4 Comparing the CSTR and PFR

reactor volumes and reactor sequencing
If
(1) X=0~0.2 => VPFR > VCSTR
(2) X=0.2~0.6 => VCSTR>VPFR
(3) X=0.6~0.65 =>VCSTR>VPFR
=>不同反應器串聯時，順序會影響最終轉化率
=>不同順序反應器串聯，不僅影響(-FA0/-rA) vs.
X之圖形，更影響到相對的反應器體積大小。
If
VCSTR1=3m3
VCSTR2=2m3 => Xmax=? Trial and error solution
VPFR=1.2m3
(-FA0/-rA) vs. X => find reactor size
-rA=f(X,C0,T,P,Catalyst)
Simply -rA =f(X) =>find reactor size
Chapter 3 => -rA=f(X)

2.6 Some further definitions

For the plug-flow design equation when the volumetric flow rate is
constant.

2.6.1 Space time

Diving reactor volume by the volumetric flow rate entering the reactor.
空間時間：流體經過一反應器體積所需要的時間

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Space time = holding time = mean residence time

If v= 0.01 m3/s V=0.2 m3
=>t=20s, 從a到b需要花費20s

For PFR design eq.

If t =

2.6.2 Space velocity (SV)

工業上常用的兩種SV：
(1) liquid-hourly space velocity (LHSV)
(2) Gas-hourly space velocity (GHSV)
LHSV=> The entering volumetric flow rate, vo, is frequently measured as
that of a liquid feed rate at 60oF or 75oF.
GHSV=> Normally measured at STP

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Summary

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