3.3.0
DUNE for Multi-{Phase, Component, Scale, Physics, ...} flow and transport in porous media
air_xylene.hh
Go to the documentation of this file.
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 * See the file COPYING for full copying permissions. *
5 * *
6 * This program is free software: you can redistribute it and/or modify *
7 * it under the terms of the GNU General Public License as published by *
8 * the Free Software Foundation, either version 3 of the License, or *
9 * (at your option) any later version. *
10 * *
11 * This program is distributed in the hope that it will be useful, *
12 * but WITHOUT ANY WARRANTY; without even the implied warranty of *
13 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
14 * GNU General Public License for more details. *
15 * *
16 * You should have received a copy of the GNU General Public License *
17 * along with this program. If not, see <http://www.gnu.org/licenses/>. *
18 *****************************************************************************/
24#ifndef DUMUX_BINARY_COEFF_AIR_XYLENE_HH
25#define DUMUX_BINARY_COEFF_AIR_XYLENE_HH
26
27#include <algorithm>
28
29#include <dune/common/math.hh>
30
33
34namespace Dumux::BinaryCoeff {
35
41{
42public:
47 template <class Scalar>
48 static Scalar henry(Scalar temperature)
49 { DUNE_THROW(Dune::NotImplemented,
50 "Henry coefficient of air in xylene");
51 }
52
61 template <class Scalar>
62 static Scalar gasDiffCoeff(Scalar temperature, Scalar pressure)
63 {
66
67 using std::clamp;
68 temperature = clamp(temperature, 1e-9, 500.0); // regularization
69 pressure = clamp(pressure, 0.0, 1e8); // regularization
70
71 using std::pow;
72 using Dune::power;
73 using std::sqrt;
74 using std::exp;
75 const Scalar M_x = 1e3*Xylene::molarMass(); // [g/mol] molecular weight of xylene
76 const Scalar M_a = 1e3*Air::molarMass(); // [g/mol] molecular weight of air
77 const Scalar Tb_x = 412.0; // [K] boiling temperature of xylene
78 const Scalar sigma_a = 3.711; // charact. length of air
79 const Scalar T_scal_a = 78.6; // [K] (molec. energy of attraction/Boltzmann constant)
80 const Scalar V_B_x = 140.4; // [cm^3/mol] LeBas molal volume of xylene
81 const Scalar sigma_x = 1.18*pow(V_B_x, 0.333); // charact. length of xylene
82 const Scalar sigma_ax = 0.5*(sigma_a + sigma_x);
83 const Scalar T_scal_x = 1.15*Tb_x;
84 const Scalar T_scal_ax = sqrt(T_scal_a*T_scal_x);
85
86 using std::max;
87 Scalar T_star = temperature/T_scal_ax;
88 T_star = max(T_star, 1e-5); // regularization
89
90 const Scalar Omega = 1.06036/pow(T_star, 0.1561) + 0.193/exp(T_star*0.47635)
91 + 1.03587/exp(T_star*1.52996) + 1.76474/exp(T_star*3.89411);
92 const Scalar B_ = 0.00217 - 0.0005*sqrt(1.0/M_a + 1.0/M_x);
93 const Scalar Mr = (M_a + M_x)/(M_a*M_x);
94 const Scalar D_ax = (B_*pow(temperature,1.5)*sqrt(Mr))
95 /(1e-5*pressure*power(sigma_ax, 2)*Omega); // [cm^2/s]
96
97 return D_ax*1e-4; // [m^2/s]
98 }
99
107 template <class Scalar>
108 static Scalar liquidDiffCoeff(Scalar temperature, Scalar pressure)
109 {
110 return 1e-9;
111 }
112};
113
114} // end namespace Dumux::BinaryCoeff
115
116#endif
Properties of xylene.
A simple class for the air fluid properties.
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
Definition: air_mesitylene.hh:31
Binary coefficients for air and xylene.
Definition: air_xylene.hh:41
static Scalar henry(Scalar temperature)
Henry coefficient for mesitylene in air.
Definition: air_xylene.hh:48
static Scalar gasDiffCoeff(Scalar temperature, Scalar pressure)
Binary diffusion coefficient for air and xylene. method according to Wilke and Lee see W....
Definition: air_xylene.hh:62
static Scalar liquidDiffCoeff(Scalar temperature, Scalar pressure)
Diffusion coefficient for air and xylene in liquid water.
Definition: air_xylene.hh:108
A class for the air fluid properties.
Definition: air.hh:47
Properties of xylene.
Definition: xylene.hh:49