3.3.0
DUNE for Multi-{Phase, Component, Scale, Physics, ...} flow and transport in porous media
air_mesitylene.hh
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24#ifndef DUMUX_BINARY_COEFF_AIR_MESITYLENE_HH
25#define DUMUX_BINARY_COEFF_AIR_MESITYLENE_HH
26
29
30namespace Dumux {
31namespace BinaryCoeff {
32
38{
39public:
44 template <class Scalar>
45 static Scalar henry(Scalar temperature)
46 { DUNE_THROW(Dune::NotImplemented,
47 "Henry coefficient of air in mesitylene");
48 }
49
58 template <class Scalar>
59 static Scalar gasDiffCoeff(Scalar temperature, Scalar pressure)
60 {
63
64 using std::min;
65 using std::max;
66 temperature = max(temperature, 1e-9); // regularization
67 temperature = min(temperature, 500.0); // regularization
68 pressure = max(pressure, 0.0); // regularization
69 pressure = min(pressure, 1e8); // regularization
70
71 using std::pow;
72 using std::sqrt;
73 using std::exp;
74 using Dune::power;
75 const Scalar M_m = 1e3*Mesitylene::molarMass(); // [g/mol] molecular weight of mesitylene
76 const Scalar M_a = 1e3*Air::molarMass(); // [g/mol] molecular weight of air
77 const Scalar Tb_m = 437.9; // [K] boiling temperature of mesitylene
78 const Scalar sigma_a = 3.711; // charact. length of air
79 const Scalar T_scal_a = 78.6; // [K] (molec. energy of attraction/Boltzmann constant)
80 const Scalar V_B_m = 162.6; // [cm^3/mol] LeBas molal volume of mesitylene
81
82 using std::cbrt;
83 const Scalar sigma_m = 1.18*cbrt(V_B_m); // charact. length of mesitylene
84 const Scalar sigma_am = 0.5*(sigma_a + sigma_m);
85 const Scalar T_scal_m = 1.15*Tb_m;
86 const Scalar T_scal_am = sqrt(T_scal_a*T_scal_m);
87
88 Scalar T_star = temperature/T_scal_am;
89 T_star = max(T_star, 1e-5); // regularization
90
91 const Scalar Omega = 1.06036/pow(T_star, 0.1561) + 0.193/exp(T_star*0.47635)
92 + 1.03587/exp(T_star*1.52996) + 1.76474/exp(T_star*3.89411);
93 const Scalar B_ = 0.00217 - 0.0005*sqrt(1.0/M_a + 1.0/M_m);
94 const Scalar Mr = (M_a + M_m)/(M_a*M_m);
95 const Scalar D_am = (B_*sqrt(temperature*temperature*temperature*Mr))
96 /(1e-5*pressure*power(sigma_am, 2) * Omega); // [cm^2/s]
97
98 return 1e-4*D_am; // [m^2/s]
99 }
100
108 template <class Scalar>
109 static Scalar liquidDiffCoeff(Scalar temperature, Scalar pressure)
110 {
111 return 1e-9;
112 }
113};
114
115} // end namespace BinaryCoeff
116} // end namespace Dumux
117
118#endif
Properties of mesitylene.
A simple class for the air fluid properties.
Definition: adapt.hh:29
std::string temperature() noexcept
I/O name of temperature for equilibrium models.
Definition: name.hh:51
std::string pressure(int phaseIdx) noexcept
I/O name of pressure for multiphase systems.
Definition: name.hh:34
Binary coefficients for water and mesitylene.
Definition: air_mesitylene.hh:38
static Scalar liquidDiffCoeff(Scalar temperature, Scalar pressure)
Diffusion coefficient for air and mesitylene in liquid water.
Definition: air_mesitylene.hh:109
static Scalar gasDiffCoeff(Scalar temperature, Scalar pressure)
Binary diffusion coefficient for air and mesitylene. I used the method according to Wilke and Lee se...
Definition: air_mesitylene.hh:59
static Scalar henry(Scalar temperature)
Henry coefficient for mesitylene in air.
Definition: air_mesitylene.hh:45
A class for the air fluid properties.
Definition: air.hh:47
mesitylene
Definition: mesitylene.hh:48