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air_mesitylene.hh
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1// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
2// vi: set et ts=4 sw=4 sts=4:
3//
4// SPDX-FileCopyrightText: Copyright © DuMux Project contributors, see AUTHORS.md in root folder
5// SPDX-License-Identifier: GPL-3.0-or-later
6//
12#ifndef DUMUX_BINARY_COEFF_AIR_MESITYLENE_HH
13#define DUMUX_BINARY_COEFF_AIR_MESITYLENE_HH
14
17
19
25{
26public:
31 template <class Scalar>
32 static Scalar henry(Scalar temperature)
33 { DUNE_THROW(Dune::NotImplemented,
34 "Henry coefficient of air in mesitylene");
35 }
36
45 template <class Scalar>
46 static Scalar gasDiffCoeff(Scalar temperature, Scalar pressure)
47 {
50
51 using std::min;
52 using std::max;
53 temperature = max(temperature, 1e-9); // regularization
54 temperature = min(temperature, 500.0); // regularization
55 pressure = max(pressure, 0.0); // regularization
56 pressure = min(pressure, 1e8); // regularization
57
58 using std::pow;
59 using std::sqrt;
60 using std::exp;
61 using Dune::power;
62 const Scalar M_m = 1e3*Mesitylene::molarMass(); // [g/mol] molecular weight of mesitylene
63 const Scalar M_a = 1e3*Air::molarMass(); // [g/mol] molecular weight of air
64 const Scalar Tb_m = 437.9; // [K] boiling temperature of mesitylene
65 const Scalar sigma_a = 3.711; // charact. length of air
66 const Scalar T_scal_a = 78.6; // [K] (molec. energy of attraction/Boltzmann constant)
67 const Scalar V_B_m = 162.6; // [cm^3/mol] LeBas molal volume of mesitylene
68
69 using std::cbrt;
70 const Scalar sigma_m = 1.18*cbrt(V_B_m); // charact. length of mesitylene
71 const Scalar sigma_am = 0.5*(sigma_a + sigma_m);
72 const Scalar T_scal_m = 1.15*Tb_m;
73 const Scalar T_scal_am = sqrt(T_scal_a*T_scal_m);
74
75 Scalar T_star = temperature/T_scal_am;
76 T_star = max(T_star, 1e-5); // regularization
77
78 const Scalar Omega = 1.06036/pow(T_star, 0.1561) + 0.193/exp(T_star*0.47635)
79 + 1.03587/exp(T_star*1.52996) + 1.76474/exp(T_star*3.89411);
80 const Scalar B_ = 0.00217 - 0.0005*sqrt(1.0/M_a + 1.0/M_m);
81 const Scalar Mr = (M_a + M_m)/(M_a*M_m);
82 const Scalar D_am = (B_*sqrt(temperature*temperature*temperature*Mr))
83 /(1e-5*pressure*power(sigma_am, 2) * Omega); // [cm^2/s]
84
85 return 1e-4*D_am; // [m^2/s]
86 }
87
95 template <class Scalar>
96 static Scalar liquidDiffCoeff(Scalar temperature, Scalar pressure)
97 {
98 return 1e-9;
99 }
100};
101
102} // end namespace Dumux::BinaryCoeff
103
104#endif
A simple class for the air fluid properties.
Binary coefficients for water and mesitylene.
Definition air_mesitylene.hh:25
static Scalar liquidDiffCoeff(Scalar temperature, Scalar pressure)
Diffusion coefficient for air and mesitylene in liquid water.
Definition air_mesitylene.hh:96
static Scalar gasDiffCoeff(Scalar temperature, Scalar pressure)
Binary diffusion coefficient for air and mesitylene. I used the method according to Wilke and Lee se...
Definition air_mesitylene.hh:46
static Scalar henry(Scalar temperature)
Henry coefficient for mesitylene in air.
Definition air_mesitylene.hh:32
A class for the air fluid properties.
Definition air.hh:33
mesitylene
Definition mesitylene.hh:35
Properties of mesitylene.
Definition air_mesitylene.hh:18