January 12, 2017

𝑟𝑗 is rate of production, −𝑟𝑗 is rate of consumption

𝑟𝑗′ ≡ 𝑐𝑎𝑡𝑎𝑙𝑦𝑧𝑒𝑑 (𝑝𝑒𝑟 𝑚𝑎𝑠𝑠 𝑐𝑎𝑡𝑎𝑙𝑦𝑠𝑡)

On left side, being consumed ie:

𝑎𝐴 + 𝑏𝐵 → 𝑐𝐶 + 𝑑𝐷
𝑟𝐴 𝑟𝐵 𝑟𝑐 𝑟𝐷
= = =
−𝑎 −𝑏 𝑐 𝑑
General Mole Balance Equation
𝑑𝑁𝑗
= 𝐹𝑗0 − 𝐹𝑗 + 𝐺𝑗
𝑑𝑡

𝐺𝑗 = ∫ 𝑟𝑗 𝑑𝑉 = 𝑟𝑗 𝑉 (𝑝𝑒𝑟𝑓𝑒𝑐𝑡𝑙𝑦 𝑚𝑖𝑥𝑒𝑑 𝑠𝑦𝑠𝑡𝑒𝑚)

Batch Reactor:

 No flow rate in/out, well mixed.

 𝐹𝑗0 = 𝐹𝑗 = 0

𝑑𝑁𝑗
= 𝑟𝑗 𝑉
𝑑𝑡
 Don’t mess with the design equation holy cow don’t mess with it
 #enviro

CSTR:

 Steady state, ideal CSTR

𝐹𝑗 − 𝐹𝑗0 = 𝑟𝑗 𝑉

PFR:

 Assume flows equal along any direction perpendicular to flow

 𝐹𝑗 − 𝐹𝑗0 = ∫ 𝑟𝑗 𝑉

 Can’t assume integral is constant, but this is difficult to solve

 Rearrange and use magic
𝑑𝐹𝑗
= 𝑟𝑗
𝑑𝑉
 Cannot make assumption that integral is constant? okay…

January 17, 2017

 Fraction Conversion, X

𝑎𝐴 + 𝑏𝐵 → 𝑐𝐶 + 𝑑𝐷 (General stoichiometric equation)

𝑏 𝑐 𝑑
𝐴 + 𝐵 → 𝐶 + 𝐷 (In terms of reference (limiting) reactant, A)
𝑎 𝑎 𝑎
𝑚𝑜𝑙𝑒𝑠 𝐴 𝑟𝑒𝑎𝑐𝑡𝑒𝑑
𝑋𝐴 = 𝑚𝑜𝑙𝑒𝑠 𝐴 𝑓𝑒𝑑
(Fractional conversion in terms of A)

Reactor Design Procedure using fractional conversion

 Express design equations in terms of X

 Express concentrations in terms of X
 Express rate expression in terms of (using concentration expressions)
 Combine design and rate relationships then solve for design problem or performance problem

Stoichiometry for batch rector

𝑚𝑜𝑙𝑒𝑠 𝐴 𝑟𝑒𝑎𝑐𝑡𝑒𝑑
[𝑚𝑜𝑙𝑒𝑠 𝐴 𝑐𝑜𝑛𝑠𝑢𝑚𝑒𝑑 𝑏𝑦 𝑟𝑒𝑎𝑐𝑡𝑖𝑜𝑛] = [𝑚𝑜𝑙𝑒𝑠 𝐴 𝑓𝑒𝑑] ∗ [ ]
𝑚𝑜𝑙𝑒𝑠 𝐴 𝑓𝑒𝑑
[𝑚𝑜𝑙𝑒𝑠 𝐴 𝑐𝑜𝑛𝑠𝑢𝑚𝑒𝑑 𝑏𝑦 𝑟𝑥𝑛] = [𝑁𝐴0 ] ∗ [𝑋]
[𝑚𝑜𝑙𝑒𝑠 𝐴 𝑖𝑛 𝑟𝑒𝑎𝑐𝑡𝑜𝑟 𝑎𝑡 𝑡𝑖𝑚𝑒 𝑡] = [𝑚𝑜𝑙𝑒𝑠 𝐴 𝑖𝑛𝑖𝑡𝑖𝑎𝑙𝑙𝑦 𝑓𝑒𝑑] − [𝑚𝑜𝑙𝑒𝑠 𝐴 𝑐𝑜𝑛𝑠𝑢𝑚𝑒𝑑 𝑏𝑦 𝑟𝑒𝑎𝑐𝑡𝑖𝑜𝑛]

[𝑁𝐴 ] = [𝑁𝐴0 ] − [𝑁𝐴0 ][𝑋]

𝑑𝑁𝑗 𝑑𝑁𝐴
𝑑𝑡
= 𝑟𝑗 𝑉 → − 𝑑𝑡
= −𝑟𝐴 𝑉

(Rate of consumption of A) (Positive algebraic number)

𝑁𝐴 = 𝑁𝐴0 − 𝑁𝐴0 𝑋 = 𝑁𝐴0 (1 − 𝑋)

𝑑𝑁𝐴 𝑁𝐴0 (1 − 𝑋) 𝑑𝑁𝐴0 𝑑𝑁𝐴0 𝑋 𝑁𝐴0 𝑑𝑋
− = −𝑑 =− + =
𝑑𝑡 𝑑𝑡 𝑑𝑡 𝑑𝑡 𝑑𝑡
 𝒅𝑿
𝑵𝑨𝟎 = −𝒓𝑨 𝑽
𝒅𝒕
Stoichiometry for CSTR
𝑚𝑜𝑙𝑒𝑠 𝐴 𝑐𝑜𝑛𝑠𝑢𝑚𝑒𝑑 𝑏𝑦𝑟𝑒𝑎𝑐𝑡𝑖𝑜𝑛 𝑚𝑜𝑙𝑒𝑠 𝐴 𝑓𝑒𝑑 𝑚𝑜𝑙𝑒𝑠 𝐴 𝑟𝑒𝑎𝑐𝑡𝑒𝑑
[ ]=[ ]∗[ ]
𝑡𝑖𝑚𝑒 𝑡𝑖𝑚𝑒 𝑚𝑜𝑙𝑒𝑠 𝐴 𝑓𝑒𝑑
[𝐹𝐴 ] − [𝐹𝐴0 ] = 𝑟𝐴 𝑉
[𝐹𝐴0 ] − [𝐹𝐴 ] = −𝑟𝐴 𝑉

𝐹𝐴0 − (𝐹𝐴0 − 𝐹𝐴0 𝑋) = 𝐹𝐴0 𝑋

−𝑟𝐴 𝑉 = 𝐹𝐴0 𝑋
𝐹𝐴0 𝑋
𝑉=
−𝑟𝐴

Design eqn for PFR

𝑑𝐹
− = −𝑟𝐴
𝑑𝑉
𝐹𝐴 = (𝐹𝐴0 − 𝐹𝐴0 𝑋) = 𝐹𝐴0 (1 − 𝑋)
𝑑𝑋
𝐹𝐴0 = −𝑟𝐴
𝑑𝑉
Stoichioemetric table: from fogler p 101

Batch System, Consider arbitrary reaction of form:

𝑎𝐴 + 𝑏𝐵 → 𝑐𝐶 + 𝑑𝐷
𝑏 𝑐 𝑑
𝐴+ 𝐵→ 𝐶+ 𝐷
𝑎 𝑎 𝑎
Species Initially Change Remaining
A 𝑁𝐴0
B 𝑁𝐵0
C 𝑁𝐶0
D 𝑁𝐷0
I 𝑁𝐼
Totals 𝑁𝑇0
Type equation here.

𝑑 𝑐 𝑏
𝛿= + − −1
𝑎 𝑎 𝑎
Net change in total number of moles due to reaction per mole of limiting reactant A converted
 𝜀 = 𝑦𝐴0 𝛿
Net change in total number of moles at complete conversion, per total number of moles

𝜃
Moles of species I fed to reactor

Concentration expressions

Constant volume system (dilute liquid reaction, fixed volume gas phase reaction, most organic non-
polymeric rxns ie constant density)

Review stoichiometric table, design equations, learn concentrations

January 19, 2017

See notes

January 24, 2017

𝑐 𝑑
𝐶𝐶,𝑒 𝐶𝐷,𝑒
𝐾𝐶 = 𝑎 𝑏
𝐶𝐴,𝑒 𝐶𝐵,𝑒

Levenspiel

January 31, 2017

A. Problem Type
a. Design or performance
B. Operating Conditions
a. Reactor type
b. Isothermal? Isobaric? Liquid/gas phase/limiting reactant
C. Design Equations
D. Rate law
E. Concentration Expressions
F. Parameter Evaluation

Example:

A. Problem type
i. Design (determine V)
B. Operating Conditions
i. Isothermal
ii. Liquid phase
iii. CSTR
iv. Ethylene oxide limiting
C. Design equation
𝐹 𝑋
i. 𝑉 = =𝑟 𝐴0
|
𝑎 𝑒𝑥𝑖𝑡
D. Rate law
 i. −𝑟𝑎 = 𝑘𝐶𝐴 (first order in ethylene oxide, water in excess)
E. Concentration Expressions:
i. 𝐴 + 𝐵 → 𝐶 (written in terms of limiting reactant)
ii. 𝐶𝐴 = 𝐶𝐴0 (1 − 𝑋) (liquid phase)
F. Parameter Evaluation

𝑘 = 0.311 /𝑚𝑖𝑛
𝐹𝐶 𝑙𝑏𝑚𝑜𝑙
𝐹𝐴0 = = 7.67
𝑋 𝑚𝑖𝑛
𝐹𝐴0,1 𝑓𝑡 3
𝑣0,1 = = 7.67
𝐶𝐴0,1 𝑚𝑖𝑛

𝑣0,2 = 𝑣0,1 =

𝐿𝑂𝐿
𝐹𝐴0 𝑋 𝐹𝐴0 𝑋
𝑉= =
−𝑟𝐴 𝑘𝐶𝐴
Example: Reactor Performance: Residence Time

Consider 2nd-order gas phase reaction (c.f. pp 164-168)

𝜀 has dramatic effect on reactor (gas expanding accelerate, less time in reactor (lower residence time)
regardless of reaction kinetics.

Isothermal Reactor Design with Pressure Drop

- RecaL
𝑍𝑇𝑃0 𝐹𝑇
𝑣 = 𝑣0
𝑍0 𝑇0 𝑃𝐹𝑇0
For isothermal reaction of ideal gas in flow reactor
𝐹𝑗 𝑃
𝐶𝑗 = 𝑇𝑇0
𝐹𝑇 𝑃0
And when fractional conversion applies

𝜃𝑗 + (𝑎𝑗 ⁄𝑎)𝑋 𝑃
𝐶𝑗 = 𝐶𝐴0
1+𝜀 𝑃0
𝑃
𝑦=
𝑃0
Pressure drop in packed bed: Ergun equation

𝑑𝑃 𝐺 1 − 𝜙 150(1 − 𝜙)𝜇
=− ( 3 )[ + 1.75𝐺]
𝑑𝑧 𝜌𝑔𝑐 𝐷𝑝 𝜙 𝐷𝑝
 𝐺 = 𝑠𝑢𝑝𝑒𝑟𝑓𝑖𝑐𝑖𝑎𝑙 𝑚𝑎𝑠𝑠 𝑣𝑒𝑙𝑜𝑐𝑖𝑡𝑦

March 14, 2017

Membranes

Transport Law: 𝑣 ′ 𝑚 = 𝐾[𝑃𝑠 − 𝑃𝑡]

𝑅𝑏 = 𝐶𝐵′ 𝑣𝑚
′
𝑎
𝐹𝐵0
𝑅𝐵 =
𝑉𝑡

March 16, 2017

Work is positive when done by the system on the surroundings

Energy balance

Lol renormalization

March 28, 2017