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B49CE EQUATION SHEET

Antoine Equation
𝐵
𝑙𝑛𝑃 𝑠𝑎𝑡 = 𝐴 −
𝑇+𝐶
(Note: units for Psat and T, and the appropriate A, B and C values, will be defined in
the question)

Property Apportioning
𝜕(𝑛𝑚)
𝑚
̅𝑖 = [ ]
𝜕𝑛𝑖 𝑇,𝑃,𝑛
𝑗

Gibbs-Duhem Equation

∑ 𝑥𝑖 𝑑𝑚
̅𝑖 = 0
𝑖

Recombination Rule

𝑚 = ∑ 𝑥𝑖 𝑚
̅𝑖
𝑖

Henry’s Law
𝑝̂𝑖 = ℎ𝑖 𝑥𝑖

Lewis-Randall Rule

𝑓̂𝑖 = 𝑓𝑖 𝑦𝑖

Fugacity
1 𝑃 𝑅
𝑙𝑛= ∫ 𝑣 𝑑𝑃
𝑅𝑇 0
𝑃
𝑑𝑃
𝑙𝑛= ∫ (𝑍 − 1)
0 𝑃
𝑃𝑟 𝑃𝑟
𝑑𝑃𝑟 𝑑𝑃𝑟
𝑙𝑛= ∫ (𝑍 0 − 1) | + 𝜔 ∫ 𝑍1 |
0 𝑃𝑟 𝑇 0 𝑃𝑟 𝑇
𝑟 𝑟

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B49CE EQUATION SHEET

𝑓𝐿 𝑣𝐿𝑠𝑎𝑡 (𝑃 − 𝑃 𝑠𝑎𝑡 )
𝑙𝑛 𝑠𝑎𝑡 =
𝑓 𝑅𝑇

Flash Calculations
𝑛 𝑛

∑ 𝑦𝑖 = ∑ 𝐾𝑖 𝑥𝑖 = 1
𝑖=1 𝑖=1

𝑛̇ 𝑖
𝑥̇ 𝑖 =
(1 − 𝐿̇)𝐾𝑖 + 𝐿̇

Relative Volatility
𝐾1
𝛼12 =
𝐾2
𝛼12 𝑥1
𝑦1 =
1 + (𝛼12 − 1)𝑥1

Activity Coefficient

𝑓̂𝑖
𝛾𝑖 =
𝑓𝑖0 𝑥𝑖

Margules’ Equations
𝑙𝑛𝛾1 = (2𝐴21 − 𝐴12 )𝑥22 + 2(𝐴12 − 𝐴21 )𝑥23 𝑙𝑛𝛾2 = (2𝐴12 − 𝐴21 )𝑥12 + 2(𝐴21 − 𝐴12 )𝑥13

(𝑥2 −𝑥1 ) 2𝑙𝑛𝛾2 (𝑥1 −𝑥2 ) 2𝑙𝑛𝛾1


𝐴12 = 𝑙𝑛𝛾1 + = 𝑙𝑛𝛾1∞ 𝐴21 = 𝑙𝑛𝛾2 + = 𝑙𝑛𝛾2∞
𝑥22 𝑥1 𝑥12 𝑥2

Van Laar Equations


𝐴 𝑥 −2 𝐴 𝑥 −2
𝑙𝑛𝛾1 = 𝐴12 (1 + 𝐴12 𝑥1 ) 𝑙𝑛𝛾2 = 𝐴21 (1 + 𝐴21 𝑥2)
21 2 12 1

𝑥 𝑙𝑛𝛾 2 𝑥 𝑙𝑛𝛾 2
𝐴12 = 𝑙𝑛𝛾1 (1 + 𝑥2 𝑙𝑛𝛾2 ) 𝐴21 = 𝑙𝑛𝛾2 (1 + 𝑥1 𝑙𝑛𝛾1 )
1 1 2 2

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B49CE EQUATION SHEET

Chemical Reactions
∆𝐺 0 = −𝑅𝑇𝑙𝑛𝐾
𝑑(𝑙𝑛𝐾) ∆𝐻 0
=
𝑑𝑇 𝑅𝑇 2

Volumetric Behaviour
1 𝜕𝑉
𝛽= ( )
𝑉 𝜕𝑇 𝑃
1 𝜕𝑉
=− ( )
𝑉 𝜕𝑃 𝑇

Pitzer Parameters
0.422
𝐵 0 = 0.083 −
𝑇𝑟1.6
0.172
𝐵1 = 0.139 −
𝑇𝑟4.2

Van der Waals EOS


𝑅𝑇 𝑎
𝑃= − 2
𝑣−𝑏 𝑣
27𝑅 2 𝑇𝑐2.5 𝑅𝑇
𝑎= 𝑏 = 8𝑃
64𝑃𝑐 𝑐

Redlich-Kwong EOS
𝑅𝑇 𝑎
𝑃= − 0.5
𝑣 − 𝑏 𝑇 𝑣(𝑣 + 𝑏)
𝑅 2 𝑇𝑐2.5 𝑅𝑇
𝑎 = 0.42748 𝑏 = 0.08664 𝑃
𝑃𝑐 𝑐