/[ascend]/trunk/models/johnpye/fprops/rundata.h
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Contents of /trunk/models/johnpye/fprops/rundata.h

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Revision 2662 - (show annotations) (download) (as text)
Fri Jan 18 00:34:51 2013 UTC (9 years, 8 months ago) by jpye
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File size: 5359 byte(s)
Added some C tests for sat and solve_ph routines.
Added parameter 'source' to fprops_fluid, to allow data with a particular source to be specified (optionally). This allows forced testing explicitly of the RPP data even when Helmholtz data is also available.
Tweaked some convergence parameters in sat.c and solve_ph.c to get convergence across broader range of parameters for more fluids (more testing required).
1 /* ASCEND modelling environment
2 Copyright (C) 2011 Carnegie Mellon University
3
4 This program is free software; you can redistribute it and/or modify
5 it under the terms of the GNU General Public License as published by
6 the Free Software Foundation; either version 2, or (at your option)
7 any later version.
8
9 This program is distributed in the hope that it will be useful,
10 but WITHOUT ANY WARRANTY; without even the implied warranty of
11 MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
12 GNU General Public License for more details.
13
14 You should have received a copy of the GNU General Public License
15 along with this program. If not, see <http://www.gnu.org/licenses/>.
16 *//** @file
17 This file contains declarations of the data structures passed to
18 functions that EVALUATE fluid properties. We allow from some preprocessing of
19 data loaded from input files, if deisred/needed.
20
21 Data declarations as provided in input files are given in filedata.h
22 */
23
24 #ifndef FPROPS_RUNDATA_H
25 #define FPROPS_RUNDATA_H
26
27 #include "common.h"
28
29 /* TODO remove this dependency eventually (some helmholtz data objects are not yet being copied into new structures*/
30 #include "filedata.h"
31
32
33 /** Power terms for phi0 (including polynomial) */
34 typedef struct Cp0RunPowTerm_struct{
35 double a;
36 double p;
37 } Phi0RunPowTerm;
38
39 /** Planck-Einstein aka 'exponential' terms for phi0 */
40 typedef struct Cp0RunExpTerm_struct{
41 double n;
42 double gamma;
43 } Phi0RunExpTerm;
44
45 /**
46 Zero-pressure specific heat capacity data for a fluid
47
48 There is no 'R' or 'cp0star' in this structure. If cp0star != R in the filedata, that
49 difference will be corrected for when this structure is created.
50 */
51 typedef struct Phi0RunData_struct{
52 double c; /**< second integration constant in phi0, value determined by reference point for entropy */
53 double m; /**< first integration constant in phi0, value determined by reference point for enthalpy */
54
55 unsigned np; /**< number of power terms */
56 Phi0RunPowTerm *pt; /**< power term data, may be NULL if np == 0 */
57 unsigned ne; /**< number of Planck-Einstein aka 'exponential' terms */
58 Phi0RunExpTerm *et; /**< exponential term data, maybe NULL if ne == 0 */
59 } Phi0RunData;
60
61 typedef struct HelmholtzRunData_struct{
62 double rho_star;/**< normalisation density, kg/m3 */
63 double T_star; /**< normalisation temperature, K */
64
65 //REMOVED: double p_t; /**< triple-point pressure */
66
67 unsigned np; /**< number of power terms in residual equation */
68 const HelmholtzPowTerm *pt; /**< power term data for residual eqn, maybe NULL if np == 0 */
69 unsigned ng; /**< number of critical terms of the first kind */
70 const HelmholtzGausTerm *gt; /**< critical terms of the first kind */
71 unsigned nc; /**< number of critical terms of the second kind */
72 const HelmholtzCritTerm *ct; /**< critical terms of the second kind */
73 } HelmholtzRunData;
74
75 typedef struct PengrobRunData_struct{
76 double aTc; /**< value of 'a' when evaluated at T = T_c */
77 double b; /**< coeficient 'b' in PR EOS */
78 double kappa; /** parameter used in a(T) */
79 } PengrobRunData;
80
81 typedef union CorrelationUnion_union{
82 HelmholtzRunData *helm;
83 PengrobRunData *pengrob;
84 /* maybe more later */
85 } CorrelationUnion;
86
87 /* TODO Regarding Cp0Data: some source publications present Cp0 data eg in the
88 form of polynomials etc, and others present phi0 data (nondimensionalised ideal
89 helmholtz energy). There is a straightforward conversion between the two, see
90 precalc.c (although that is still incomplete). What is not clear is whether it
91 is better to keep phi0 or cp0 values in the runtime data here. */
92
93 /** All runtime 'core' data for all possible correlations, with exception of correlation-type-ID, function pointers and metadata */
94 typedef struct FluidData_struct{
95 /* common data across all correlations */
96 double R; /**< specific gas constant */
97 double M; /**< molar mass, kg/kmol */
98 double T_t; /**< triple-point temperature */
99 double T_c; /**< critical temperature */
100 double p_c; /**< critical pressure */
101 double rho_c; /**< critical density */
102 double omega; /**< acentric factor (possibly calculated from correlation data)*/
103 Phi0RunData *cp0; /* data for ideal component of Helmholtz energy */
104
105 /* correlation-specific stuff here */
106 CorrelationUnion corr;
107 } FluidData;
108
109
110 /* Definition of a fluid property function pointer */
111 typedef double PropEvalFn(double,double,const FluidData *data, FpropsError *err);
112
113 /** @return psat */
114 typedef double SatEvalFn(double T,double *rhof, double *rhog, const FluidData *data, FpropsError *err);
115
116 /**
117 Structure containing all the necessary data and metadata for run-time
118 calculation of fluid properties.
119 */
120 typedef struct PureFluid_struct{
121 const char *name;
122 const char *source;
123 EosType type;
124 FluidData *data; // everything we need at runtime in the following functions should be in here
125 //Pointers to departure functions
126 PropEvalFn *p_fn;
127 PropEvalFn *u_fn;
128 PropEvalFn *h_fn;
129 PropEvalFn *s_fn;
130 PropEvalFn *a_fn;
131 PropEvalFn *cv_fn;
132 PropEvalFn *cp_fn;
133 PropEvalFn *w_fn;
134 PropEvalFn *g_fn;
135 PropEvalFn *alphap_fn;
136 PropEvalFn *betap_fn;
137 PropEvalFn *dpdrho_T_fn; // this derivative is required for saturation properties by Akasaka method
138 SatEvalFn *sat_fn; // function to return {psat,rhof,rhog}(T) for this pure fluid
139 } PureFluid;
140
141 #endif

john.pye@anu.edu.au
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