Physical properties¶

The physical properties library is able to handle multiple physical properties and models. Properties that will be initially supported are;

Andrade equation for calculating the liquid viscosity

$\ln(η) = A + \frac{B}{T} + C \cdot \ln(T)$

Antoine¶

The Antoine equation is a vapor pressure equation and describes the relation between vapor pressure and temperature for pure components. The Antoine equation is derived from the Clausius–Clapeyron relation.

$\log(p) = A - \frac{B}{C + T}$

Antoine viscosity¶

Antoine equation for the viscosity

$\ln(η) = a + \frac{b}{T+c}$

Barin¶

Barin equations for thermophysical property data

$G = a + b \cdot T + c \cdot (T \cdot \ln(T)) + d \cdot T^2 + e \cdot T^3 + f \cdot T^4 + \frac{g}{T} + \frac{h}{T^2}$

BWR¶

BWR-equation of state

$p = R \cdot T \cdot d + (b0 \cdot R \cdot T - a0 ­ \frac{c0}{T^2} \cdot d2 + (b0 \cdot R \cdot T - a0) \cdot d3 +a \cdot α \cdot d6 + (c \cdot \frac{d3}{T^2}) \cdot (1 + γ \cdot d2) \cdot \exp{(-γ \cdot d2)}$

Cragoe¶

Cragoe vapor pressure equation

$\log(p) = a + \frac{b}{T} + c \cdot T + d \cdot T^2$

DIPPR101¶

$property = \exp{(A + \frac{B}{T} + C \cdot \ln(T) + D \cdot T^E)}$

DIPPR102¶

DIPPR equation for the gas viscosity at 0 atm pressure and the gas thermal conductivity

$property = A \cdot T \frac{B}{1 + \frac{C}{T} + \frac{D}{T^2}}$

DIPPR104¶

$property = A + \frac{B}{T} + \frac{C}{T^3} + \frac{D}{T^8} + \frac{E}{T^9}$

DIPPR105¶

Liquid density equation.

$property = \frac{A}{B^{(1 + (1 - \frac{T}{C}))^D}}$

DIPPR106¶

$property = A \cdot (1-T_r)^{(B + C \cdot T_r + D \cdot T_r^2)}$
$T_r = \frac{T}{T_{crit}}$

DIPPR107¶

DIPPR equation for the ideal heat capacity

$property = A + B \cdot \Bigg(\frac{\frac{C}{T}}{\sinh(\frac{C}{T})}\Bigg)^2 + D \cdot \Bigg(\frac{\frac{E}{T}}{\cosh(\frac{E}{T})}\Bigg)^2$

heat capacity (ASPEN)¶

[7]-equation for the solid heat capacity (page 3-102)

$Cp = c1 + c2 \cdot T + c3 \cdot T^2 + \frac{c4}{T} + \frac{c5}{T^2} + \frac{c6}{\sqrt{T}}$

Jones-Dole¶

Jones-Dole equation

$\frac{η}{η_0} = 1 + a \cdot \sqrt{c} + b \cdot c$

liquid viscosity (DIPPR)¶

DIPPR equation for the liquid viscosity

$\ln(η) = c1 + \frac{c2}{T} + c3 \cdot \ln(T) + c4 \cdot T^{c5}$

mod.Antoine( Aspen)¶

modified Antoine vapor pressure equation ([7], page 3-80)

$\ln(p) = A + \frac{B}{T+C} + D \cdot \ln(T) + E \cdot T^F$

mod.Antoine( Hysys)¶

modified Antoine vapor pressure equation (Hysys[9], page A-36)

$\ln(p) = A + \frac{B}{T+C} + D \cdot T + E \cdot \ln(T) + F \cdot T^G$

Peng-Robinson¶

standard Peng-Robinson equation of state ([7], page 3-34)

$p = R \cdot T/(v_m-b) ­a/[v_m \cdot (v_m+b)+b \cdot (v_m-b)]$

Peng-Robinson-Boston-Mathias¶

Peng-Robinson-Boston-Mathias equation of state ([7], page 3­25)

$p = R \cdot T/(v_m-b) ­a/[v_m \cdot (v_m+b)+b \cdot (v_m-b)]$

Polynomial¶

Polynomial function where x can be any property.

$y = a + b \cdot x + c \cdot x^2 + ...+ n \cdot x^n$

Redlich-Kwong¶

Redlich-Kwong equation of state ([7], page 3-27)

$a = \frac{0.42748 \cdot R^2 \cdot T^{2.5}}{P_c}$
$b = \frac{0.08664 \cdot R \cdot T_c}{P_c}$
$p = {\frac{R \cdot T}{v_m-b}} - {\frac{a}{\sqrt{T} \cdot v_m \cdot (v_m+b)}}$

Redlich-Kwong-Aspen¶

Aspen modification of the Redlich-Kwong equation of state( [7], page 3-28)

$p = \frac{R \cdot T}{v_m-b} - \frac{a}{v_m \cdot (v_m+b)}$

with mixing rules

Redlich-Kwong-Soave¶

standard Redlich-Kwong-Soave equation of state ([7], page 3­35)

$p = \frac{R \cdot T}{v_m-b} - \frac{a}{v_m \cdot (v_m+b)}$

with mixing rules

Redlich-Kwong-Soave-Boston-Mathias¶

Redlich-Kwong equation of state with Boston-Mathias alpha function ([7], page 3-29)

$p = \frac{R \cdot T}{v_m-b} - \frac{a}{v_m \cdot (v_m+b)}$

with mixing rules

Riedel¶

Riedel vapor pressure equation

$\ln(p) = a - \frac{b}{T} + c \cdot T + d \cdot T^2 + e \cdot \ln(T)$

Riedel therm.cond.¶

Riedel equation for thermal conductivities

$κ = a \cdot (1 + 20/3 \cdot (1 - \frac{T}{T_{crit}})^\frac{2}{3})$

suface tension (DIPPR)¶

DIPPR correlation for surface tension

$T_r = \frac{T}{T_{crit}}$
$σ = c1 \cdot (1-T_r)^{(c2 + c3 \cdot T_r + c4 \cdot T_r^2 + c5 \cdot T_r^3)}$

thermal conductivity (NEL)¶

NEL equation for thermal conductivity

$x=1-\frac{T}{T_{crit}}$
$κ = a \cdot (1 + b \cdot x^\frac{1}{3} + c \cdot x^\frac{2}{3} + d \cdot x)$

vapor pressure_1¶

vapor pressure equation

$\ln(p) = a + b \cdot T + \frac{c}{T} + \frac{d}{T^2}$

Wagner¶

Wagner vapor pressure equation

$x = 1 - \frac{T}{T_{crit}}$
$\ln(\frac{p}{p_{crit}}) = \frac{a \cdot x + b \cdot x^\frac{3}{2} + c \cdot x^3 + d \cdot x^6}{\frac{T}{T_{crit}}}$

Wagner2¶

2nd Wagner vapor pressure equation

$x = 1 - \frac{T}{T_{crit}}$
$\ln(\frac{p}{p_{crit}}) = \frac{a \cdot x + b \cdot x^\frac{3}{2} + c \cdot x^3 + d \cdot x^7 + e \cdot x^9}{\frac{T}{T_{crit}}}$

Wagner3¶

Wagner vapor pressure equation

$x = 1 - \frac{T}{T_{crit}}$
$\ln(\frac{p}{p_{crit}}) = \frac{a \cdot x + b \cdot x^\frac{3}{2} + c \cdot x^3 + d \cdot x^4}{\frac{T}{T_{crit}}}$

Wrede¶

Wrede vapor pressure equation

$\log(p) = a - \frac{b}{T}$

Wrede-ln¶

Wrede vapor pressure equation

$\ln(p) = a - \frac{b}{T}$

Yuan/Mok¶

Yuan - Mok equation for the heat capacity

$cp = a + b \cdot \exp{\frac{-c}{T_n}}$