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Air_Mesitylene.hpp
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27 #ifndef OPM_BINARY_COEFF_AIR_MESITYLENE_HPP
28 #define OPM_BINARY_COEFF_AIR_MESITYLENE_HPP
29 
32 
33 namespace Opm
34 {
35 namespace BinaryCoeff
36 {
37 
42 {
43 public:
47  template <class Evaluation>
48  static Evaluation henry(const Evaluation& /*temperature*/)
49  { throw std::runtime_error("Not implemented: Henry coefficient of air in mesitylene"); }
50 
58  template <class Evaluation>
59  static Evaluation gasDiffCoeff(Evaluation temperature, Evaluation pressure)
60  {
61  typedef Air<double> Air;
63 
64  temperature = max(temperature, 1e-9); // regularization
65  temperature = min(temperature, 500.0); // regularization
66  pressure = max(pressure, 0.0); // regularization
67  pressure = min(pressure, 1e8); // regularization
68 
69  const double M_m = 1e3*Mesitylene::molarMass(); // [g/mol] molecular weight of mesitylene
70  const double M_a = 1e3*Air::molarMass(); // [g/mol] molecular weight of air
71  const double Tb_m = 437.9; // [K] boiling temperature of mesitylene
72  const double sigma_a = 3.711; // charact. length of air
73  const double T_scal_a = 78.6; // [K] (molec. energy of attraction/Boltzmann constant)
74  const double V_B_m = 162.6; // [cm^3/mol] LeBas molal volume of mesitylene
75  const double sigma_m = 1.18*std::pow(V_B_m, 0.333); // charact. length of mesitylene
76  const double sigma_am = 0.5*(sigma_a + sigma_m);
77  const double T_scal_m = 1.15*Tb_m;
78  const double T_scal_am = std::sqrt(T_scal_a*T_scal_m);
79 
80  Evaluation T_star = temperature/T_scal_am;
81  T_star = max(T_star, 1e-5); // regularization
82 
83  const Evaluation Omega = 1.06036/pow(T_star, 0.1561) + 0.193/exp(T_star*0.47635)
84  + 1.03587/exp(T_star*1.52996) + 1.76474/exp(T_star*3.89411);
85  const double B_ = 0.00217 - 0.0005*std::sqrt(1.0/M_a + 1.0/M_m);
86  const double Mr = (M_a + M_m)/(M_a*M_m);
87  const Evaluation D_am = (B_*pow(temperature, 1.5) * std::sqrt(Mr))
88  /(1e-5*pressure*std::pow(sigma_am, 2.0) * Omega); // [cm^2/s]
89 
90  return 1e-4*D_am; // [m^2/s]
91  }
92 
96  template <class Evaluation>
97  static Evaluation liquidDiffCoeff(const Evaluation& /*temperature*/, const Evaluation& /*pressure*/)
98  { throw std::runtime_error("Not implemented: Binary liquid diffusion coefficients of air and mesitylene"); }
99 };
100 
101 } // namespace BinaryCoeff
102 } // namespace Opm
103 
104 #endif
A simple class implementing the fluid properties of air.
Component for Mesitylene.
A simple class implementing the fluid properties of air.
Definition: Air.hpp:47
static Scalar molarMass()
The molar mass in of .
Definition: Air.hpp:80
Binary coefficients for water and mesitylene.
Definition: Air_Mesitylene.hpp:42
static Evaluation gasDiffCoeff(Evaluation temperature, Evaluation pressure)
Binary diffusion coefficent [m^2/s] for air and mesitylene.
Definition: Air_Mesitylene.hpp:59
static Evaluation liquidDiffCoeff(const Evaluation &, const Evaluation &)
Diffusion coefficent [m^2/s] for molecular mesitylene in liquid water.
Definition: Air_Mesitylene.hpp:97
Component for Mesitylene.
Definition: Mesitylene.hpp:45
static Scalar molarMass()
The molar mass in of mesitylene.
Definition: Mesitylene.hpp:58