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Chemical reaction engineering (CRE):

the study of chemical kinetics with the reactors

Principle of chemical reaction:

(1) 化學品生產
(2) 生命科學
(3) 廢棄物處理
(4) 材料科學
(5) 空氣及水汙染防治

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Over view – Chapter 1

Mole balance： Input – Output = accumulation

In Out

Mole balance Common industrial reactors

(1) Continuous-stirred tank (CSTR)
(2) Tubular (plug flow reactor) (PFR)
(3) Packed bed (PBR)
(4) Batch reactor

1.1 The Rate of Reaction, -rA

Chemical reaction：
(1)當有一定數量的分子發生變化而失去其原有特性並以
新分子出現。
(2)化學反應中，總質量不變。個別成份的質量可以改變。
(3)特定成分在反應系統中的出現必定會伴隨其他分子的
消失。

Ex：成分A的消失速率可定義為每單位時間於單位
反應器體積中，A分子經由斷鍵或接鍵而消失的數
目。

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化學成分有三種方式失去其特性:
(1) Decomposition

大分子 數個小分子
(2) Combination
Propylene + Benzene Cumene
(3) Isomerization

反應速率的表示方式：rate of reaction
(1)反應物消失速率表示
(2)生成物生成速率表示

EX：
A 2B C D

=>
(-rA) = 2(-rB) = rC = rD
rj ：物質j形成或消失之速率
j是反應物 -rj
j是生成物 rj
反應速率 –rA 的定義：每單位時間於每單位
反應器體積中的氯醛消失莫耳數(mol/dm3．s)
反應速率 rC 的定義：每單位時間於每單位反
應器體積中的DDT生成莫耳數(mol/dm3．s)

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化學反應速率是一個與濃度有關之代數式，而非微分式。

EX：
速率式 –rA 可能為：

濃度對反應速率的影響，必須由實驗來決定。

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1.2 The General Mole Balance Equation

Assume：溫度、Catalytic activity、
Concentration等變數皆不隨位置而改變

在時間為t的瞬間，對j做莫耳平衡。

Nj代表在時間為t時，系統中成分j的莫耳數。
j在系統內的生成速率Gj

假設j在系統內的生成速率隨位置而改變
…

=>

Replace Gj in eq1-3
Basic equation for chemical
reaction engineering.
此式可用於系統V中任何成分的流進、流出、
反應及累積，進而推導出各式反應器的設計
式(batch、semi-batch、continuous)進而決
定特定量反應物轉化為產物所需之反應時間
(batch)或反應器體積(continuous-flow)

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1.3 Batch Reactors(BRs)

Characterizations：
(1) Used for small-sale operation
(2) High conversion
(3) High labor costs per batch
(4) Difficulty of large-sale production
(5) A batch reactor has neither in flow nor out
flow of reactants or products while the
reaction is being carried out：Fj0=Fj=0

由eq1-4 =>

If the reaction mixture is perfectly mixed (fug1-

5(b) ) so that there is no variation in the rate of
reaction through the reactor volume, we can
take rj out of the integral.

In a batch reactor：

The number of moles of A decreases

and the number of moles of B increases.
由eq1-5：

=>

Boundary condition：

=> Integral firm of the mole balance on a batch reactor.

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1.4 Continuous-Stirred Tank Reactor

(1)Continuous Stirred Tank Reactor (CSTR)

(2)Plug Flow Reactor (PFR)

(3)Packed Bed Reactor (PBR)

1.4.1 Continuous Stirred Tank Reactor

Characterization：
(1) Stirred tank operated continuously (fig1.7)
(2) Vat or backmix reactor for liquid phase reactions
(3) Normally operated at steady state and is assumed to be
perfectly mixed；consequently, there is no time, position,
temperature, concentration, reaction rate inside the CSTR。
(4) T, C and r are the same at the exit point as they are
elsewhere in the tank.
=>The temperature and concentration in the exit stream are
modeled as being the same as those inside the reactor.
(5) Mole balance equation

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CSTR operate at steady state (Conditions do not change with time.)

=>
If perfect mixing.

=>

Replace eq1-4

=>

The CSTR is modeled such that the conditions in the exit stream
(concentration, temperature) are identical to those in the tank.

The molar flow rate Fj

Volumetric flow rate

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1.4.2 Plug Flow Reactor

Characterization：
(1) It consists a cylindrical pipe and is normally operated at
steady state.
(2) Tubular reactors are used most often for gas phase
reactions.
(3) The reactors are continually consumed as they flow
down the length of the reactors.
(1) 為求簡單化，假設其為高亂流，則一般濃度變化在沿
著直徑方向是不改變。
(2) 濃度只沿著軸向遞減。

Plug-flow tubular reactor

There is no radial variation in
reaction rate and the reactor is
referred to ad a PFR.
Ex：velocity, concentration,
temperature, or reaction rate.

The general mole balance equation is given by eq.1-4

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Dividing by ∆V and rearranging

Because
If ∆V 0
The differential form of steady state mole balance on a PFR.

For an irregular shape reactor in fig.1-11 for reactant species A.

由eq.1-10 =>

=> Tubular reactors of variable and constant cross-sectional area.

=>PFR所能達成之反應程度與其形狀無關，僅與體積有關。

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A reaction A B in PFR.

From eq.1-12 =>

B.C.

=>
所需之PFR反應器體積

1.4.3 Packed Bed Reactor

Characterization：
(1) Fluid-solid heterogeneous reaction
=>reaction take place on the surface of the catalyst
=>the reaction rate is based on mass of solid catalyst, W,
rather than on reactor volume, V.
(2) For a fluid-solid heterogeneous system, the rate of reaction
of a substance.
A is defined as

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假設PBR中的濃渡, 溫度及反應速率都沒有徑向梯度成份。A在觸煤重
∆W中之莫耳平橫通式為

The dimension of the generation term in eq.1-14 are

Dividing by ∆W, and ∆W 0

Use differential form of design equation for catalyst decay and pressure drop.

When pressure drop through the reactor and catalyst decay are neglected,
the integral form of the packed-catalyst bed design equation can be used
to calculate the catalyst weight.

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1.5 Industrial Reactors

In DVD-Rom

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Summary

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