3.1-git
DUNE for Multi-{Phase, Component, Scale, Physics, ...} flow and transport in porous media
h2o_xylene.hh
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24#ifndef DUMUX_BINARY_COEFF_H2O_XYLENE_HH
25#define DUMUX_BINARY_COEFF_H2O_XYLENE_HH
26
29
30namespace Dumux {
31namespace BinaryCoeff {
32
38{
39public:
48 template <class Scalar>
49 static Scalar henry(Scalar temperature)
50 {
51 // after Sander
52 Scalar sanderH = 1.5e-1; //[M/atm]
53 //conversion to our Henry definition
54 Scalar dumuxH = sanderH / 101.325; // has now [(mol/m^3)/Pa]
55 dumuxH *= 18.02e-6; //multiplied by molar volume of reference phase = water
56 return 1.0/dumuxH; // [Pa]
57 }
58
65 template <class Scalar>
66 static Scalar gasDiffCoeff(Scalar temperature, Scalar pressure)
67 {
70
71 using std::min;
72 using std::max;
73 temperature = max(temperature, 1e-9); // regularization
74 temperature = min(temperature, 500.0); // regularization
75 pressure = max(pressure, 0.0); // regularization
76 pressure = min(pressure, 1e8); // regularization
77
78 using std::sqrt;
79 using std::exp;
80 using std::pow;
81 const Scalar M_x = 1e3*Xylene::molarMass(); // [g/mol] molecular weight of xylene
82 const Scalar M_w = 1e3*H2O::molarMass(); // [g/mol] molecular weight of water
83 const Scalar Tb_x = 412.9; // [K] boiling temperature of xylene
84 const Scalar Tb_w = 373.15; // [K] boiling temperature of water (at p_atm)
85 const Scalar V_B_w = 18.0; // [cm^3/mol] LeBas molal volume of water
86 const Scalar sigma_w = 1.18*pow(V_B_w, 0.333); // charact. length of air
87 const Scalar T_scal_w = 1.15*Tb_w; // [K] (molec. energy of attraction/Boltzmann constant)
88 const Scalar V_B_x = 140.4; // [cm^3/mol] LeBas molal volume of xylene
89 const Scalar sigma_x = 1.18*pow(V_B_x, 0.333); // charact. length of xylene
90 const Scalar sigma_wx = 0.5*(sigma_w + sigma_x);
91 const Scalar T_scal_x = 1.15*Tb_x;
92 const Scalar T_scal_wx = sqrt(T_scal_w*T_scal_x);
93
94 Scalar T_star = temperature/T_scal_wx;
95 T_star = max(T_star, 1e-5); // regularization
96
97 const Scalar Omega = 1.06036/pow(T_star, 0.1561) + 0.193/exp(T_star*0.47635)
98 + 1.03587/exp(T_star*1.52996) + 1.76474/exp(T_star*3.89411);
99 const Scalar B_ = 0.00217 - 0.0005*sqrt(1.0/M_w + 1.0/M_x);
100 const Scalar Mr = (M_w + M_x)/(M_w*M_x);
101 const Scalar D_wx = (B_*pow(temperature,1.6)*sqrt(Mr))
102 /(1e-5*pressure*pow(sigma_wx, 2.0)*Omega); // [cm^2/s]
103
104 return D_wx*1e-4; // [m^2/s]
105 }
106
114 template <class Scalar>
115 static Scalar liquidDiffCoeff(Scalar temperature, Scalar pressure)
116 {
117 return 1.e-9;
118 }
119};
120
121} // end namespace BinaryCoeff
122} // end namespace Dumux
123
124#endif
Material properties of pure water .
Properties of xylene.
make the local view function available whenever we use the grid geometry
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 xylene.
Definition: h2o_xylene.hh:38
static Scalar liquidDiffCoeff(Scalar temperature, Scalar pressure)
Diffusion coefficient for xylene in liquid water.
Definition: h2o_xylene.hh:115
static Scalar henry(Scalar temperature)
Henry coefficient for xylene in liquid water.
Definition: h2o_xylene.hh:49
static Scalar gasDiffCoeff(Scalar temperature, Scalar pressure)
Binary diffusion coefficient for molecular water and xylene.
Definition: h2o_xylene.hh:66
Material properties of pure water .
Definition: h2o.hh:61
Properties of xylene.
Definition: xylene.hh:49