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H2O_Xylene.hpp
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27 #ifndef OPM_BINARY_COEFF_H2O_XYLENE_HPP
28 #define OPM_BINARY_COEFF_H2O_XYLENE_HPP
29 
32 
33 namespace Opm {
34 namespace BinaryCoeff {
35 
40 {
41 public:
50  template <class Evaluation>
51  static Evaluation henry(const Evaluation& /*temperature*/)
52  {
53  // after Sanders
54  double sanderH = 1.5e-1; //[M/atm]
55  //conversion to our Henry definition
56  double opmH = sanderH / 101.325; // has now [(mol/m^3)/Pa]
57  opmH *= 18.02e-6; //multiplied by molar volume of reference phase = water
58  return 1.0/opmH; // [Pa]
59  }
60 
65  template <class Evaluation>
66  static Evaluation gasDiffCoeff(Evaluation temperature, Evaluation pressure)
67  {
68  typedef H2O<double> H2O;
69  typedef Xylene<double> Xylene;
70 
71  temperature = max(temperature, 1e-9); // regularization
72  temperature = min(temperature, 500.0); // regularization
73  pressure = max(pressure, 0.0); // regularization
74  pressure = min(pressure, 1e8); // regularization
75 
76  const double M_x = 1e3*Xylene::molarMass(); // [g/mol] molecular weight of xylene
77  const double M_w = 1e3*H2O::molarMass(); // [g/mol] molecular weight of water
78  const double Tb_x = 412.9; // [K] boiling temperature of xylene
79  const double Tb_w = 373.15; // [K] boiling temperature of water (at p_atm)
80  const double V_B_w = 18.0; // [cm^3/mol] LeBas molal volume of water
81  const double sigma_w = 1.18*std::pow(V_B_w, 0.333); // charact. length of air
82  const double T_scal_w = 1.15*Tb_w; // [K] (molec. energy of attraction/Boltzmann constant)
83  const double V_B_x = 140.4; // [cm^3/mol] LeBas molal volume of xylene
84  const double sigma_x = 1.18*std::pow(V_B_x, 0.333); // charact. length of xylene
85  const double sigma_wx = 0.5*(sigma_w + sigma_x);
86  const double T_scal_x = 1.15*Tb_x;
87  const double T_scal_wx = std::sqrt(T_scal_w*T_scal_x);
88 
89  const Evaluation& T_star = max(temperature/T_scal_wx, 1e-5);
90 
91  const Evaluation& 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 double B_ = 0.00217 - 0.0005*std::sqrt(1.0/M_w + 1.0/M_x);
94  const double Mr = (M_w + M_x)/(M_w*M_x);
95  return 1e-4
96  *(B_*pow(temperature,1.6)*std::sqrt(Mr))
97  /(1e-5*pressure*std::pow(sigma_wx, 2.0)*Omega);
98  }
99 
105  template <class Evaluation>
106  static Evaluation liquidDiffCoeff(const Evaluation& /*temperature*/, const Evaluation& /*pressure*/)
107  {
108  return 1.e-9; // This is just an order of magnitude. Please improve it!
109  }
110 };
111 
112 } // namespace BinaryCoeff
113 } // namespace Opm
114 
115 #endif
Material properties of pure water .
Component for Xylene.
Binary coefficients for water and xylene.
Definition: H2O_Xylene.hpp:40
static Evaluation gasDiffCoeff(Evaluation temperature, Evaluation pressure)
Binary diffusion coefficent [m^2/s] for molecular water and xylene.
Definition: H2O_Xylene.hpp:66
static Evaluation henry(const Evaluation &)
Henry coefficent for xylene in liquid water.
Definition: H2O_Xylene.hpp:51
static Evaluation liquidDiffCoeff(const Evaluation &, const Evaluation &)
Diffusion coefficent [m^2/s] for xylene in liquid water.
Definition: H2O_Xylene.hpp:106
Material properties of pure water .
Definition: H2O.hpp:62
static const Scalar molarMass()
The molar mass in of water.
Definition: H2O.hpp:80
Component for Xylene.
Definition: Xylene.hpp:47
static Scalar molarMass()
The molar mass in of xylene.
Definition: Xylene.hpp:61