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Air_Xylene.hpp
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27 #ifndef OPM_BINARY_COEFF_AIR_XYLENE_HPP
28 #define OPM_BINARY_COEFF_AIR_XYLENE_HPP
29 
32 
33 namespace Opm {
34 namespace BinaryCoeff {
35 
40 {
41 public:
45  template <class Evaluation>
46  static Evaluation henry(const Evaluation& /*temperature*/)
47  { throw std::runtime_error("Not implemented: Henry coefficient of air in xylene"); }
48 
56  template <class Evaluation>
57  static Evaluation gasDiffCoeff(Evaluation temperature, Evaluation pressure)
58  {
59  typedef Air<double> Air;
60  typedef Xylene<double> Xylene;
61 
62  temperature = max(temperature, 1e-9); // regularization
63  temperature = min(temperature, 500.0); // regularization
64  pressure = max(pressure, 0.0); // regularization
65  pressure = min(pressure, 1e8); // regularization
66 
67  const double M_x = 1e3*Xylene::molarMass(); // [g/mol] molecular weight of xylene
68  const double M_a = 1e3*Air::molarMass(); // [g/mol] molecular weight of air
69  const double Tb_x = 412.0; // [K] boiling temperature of xylene
70  const double sigma_a = 3.711; // charact. length of air
71  const double T_scal_a = 78.6; // [K] (molec. energy of attraction/Boltzmann constant)
72  const double V_B_x = 140.4; // [cm^3/mol] LeBas molal volume of xylene
73  const double sigma_x = 1.18*std::pow(V_B_x, 0.333); // charact. length of xylene
74  const double sigma_ax = 0.5*(sigma_a + sigma_x);
75  const double T_scal_x = 1.15*Tb_x;
76  const double T_scal_ax = std::sqrt(T_scal_a*T_scal_x);
77 
78  const Evaluation& T_star = max(temperature/T_scal_ax, 1e-5);
79 
80  const Evaluation& Omega = 1.06036/pow(T_star, 0.1561) + 0.193/exp(T_star*0.47635)
81  + 1.03587/exp(T_star*1.52996) + 1.76474/exp(T_star*3.89411);
82  const double B_ = 0.00217 - 0.0005*std::sqrt(1.0/M_a + 1.0/M_x);
83  const double Mr = (M_a + M_x)/(M_a*M_x);
84  return 1e-4
85  *(B_*pow(temperature,1.5)*std::sqrt(Mr))
86  /(1e-5*pressure*std::pow(sigma_ax, 2.0)*Omega);
87  }
88 
94  template <class Evaluation>
95  static Evaluation liquidDiffCoeff(const Evaluation& /*temperature*/, const Evaluation& /*pressure*/)
96  { throw std::runtime_error("Not implemented: Binary liquid diffusion coefficients of air and xylene"); }
97 };
98 
99 } // namespace BinaryCoeff
100 } // namespace Opm
101 
102 #endif
A simple class implementing the fluid properties of air.
Component for Xylene.
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 xylene.
Definition: Air_Xylene.hpp:40
static Evaluation liquidDiffCoeff(const Evaluation &, const Evaluation &)
Diffusion coefficent [m^2/s] for molecular xylene in liquid water.
Definition: Air_Xylene.hpp:95
static Evaluation gasDiffCoeff(Evaluation temperature, Evaluation pressure)
Binary diffusion coefficent [m^2/s] for air and xylene.
Definition: Air_Xylene.hpp:57
Component for Xylene.
Definition: Xylene.hpp:47
static Scalar molarMass()
The molar mass in of xylene.
Definition: Xylene.hpp:61