3.6-git
DUNE for Multi-{Phase, Component, Scale, Physics, ...} flow and transport in porous media
h2o_ch4.hh
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24#ifndef DUMUX_BINARY_COEFF_H2O_CH4_HH
25#define DUMUX_BINARY_COEFF_H2O_CH4_HH
26
29
32
33namespace Dumux {
34namespace BinaryCoeff {
35
41{
42public:
53 template <class Scalar>
54 static Scalar henry(Scalar temperature)
55 {
56 const Scalar E = 2215.6977;
57 const Scalar F = -0.1089;
58 const Scalar G = -6.6240;
59 const Scalar H = 4.6789;
60
61 return henryIAPWS(E, F, G, H, temperature);
62 }
63
70 template <class Scalar>
71 static Scalar gasDiffCoeff(Scalar temperature, Scalar pressure)
72 {
73 // DUNE_THROW(Dune::NotImplemented, "diffusion coefficient for gasous water and methane");
74
77
78 // atomic diffusion volumes
79 // Vch4 = sum(ni*Vi) = 15.9 + 4*2.31 = 25.14 (Tang et al., 2015)--> method, (Poling et al., 2001, p.11.11)--> values
80 const Scalar SigmaNu[2] = { 13.1 /* H2O */, 25.14 /* CH4 */ };
81 // molar masses [g/mol]
82 const Scalar M[2] = { H2O::molarMass()*Scalar(1e3), CH4::molarMass()*Scalar(1e3) };
83
84 return fullerMethod(M, SigmaNu, temperature, pressure);
85 }
86
100 template <class Scalar>
101 static Scalar liquidDiffCoeff(Scalar temperature, Scalar pressure)
102 {
103 return 2.93856e-11 * temperature - 6.89402e-09;
104 }
105};
106
107} // end namespace BinaryCoeff
108} // end namespace Dumux
109
110#endif
Various relations for molecular diffusion coefficients.
The IAPWS formulation of Henry coefficients in water.
Properties of methane .
Material properties of pure water .
Scalar fullerMethod(const Scalar *M, const Scalar *SigmaNu, const Scalar temperature, const Scalar pressure)
Estimate binary diffusion coefficients in gases according to the method by Fuller.
Definition: fullermethod.hh:48
Scalar henryIAPWS(Scalar E, Scalar F, Scalar G, Scalar H, Scalar temperature)
The Henry constants in liquid water using the IAPWS 2004 formulation.
Definition: henryiapws.hh:52
Adaption of the non-isothermal two-phase two-component flow model to problems with CO2.
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 methane.
Definition: h2o_ch4.hh:41
static Scalar liquidDiffCoeff(Scalar temperature, Scalar pressure)
Diffusion coefficient for molecular methane in liquid water.
Definition: h2o_ch4.hh:101
static Scalar gasDiffCoeff(Scalar temperature, Scalar pressure)
Binary diffusion coefficient for molecular water in methane.
Definition: h2o_ch4.hh:71
static Scalar henry(Scalar temperature)
Henry coefficient for molecular methane in liquid water.
Definition: h2o_ch4.hh:54
Properties of pure molecular methane .
Definition: ch4.hh:46
Material properties of pure water .
Definition: h2o.hh:61