/[ascend]/trunk/models/johnpye/fprops/rundata.h
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Mon Jan 28 06:30:25 2013 UTC (9 years, 6 months ago) by jpye
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Working on problem with solve_ph. Could be that one of the deriv routines is wrong in the saturation region?
1 jpye 2654 /* 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 jpye 2661 along with this program. If not, see <http://www.gnu.org/licenses/>.
16 jpye 2654 *//** @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     /** Power terms for phi0 (including polynomial) */
33     typedef struct Cp0RunPowTerm_struct{
34     double a;
35     double p;
36     } Phi0RunPowTerm;
37    
38     /** Planck-Einstein aka 'exponential' terms for phi0 */
39     typedef struct Cp0RunExpTerm_struct{
40     double n;
41     double gamma;
42     } Phi0RunExpTerm;
43    
44     /**
45     Zero-pressure specific heat capacity data for a fluid
46    
47     There is no 'R' or 'cp0star' in this structure. If cp0star != R in the filedata, that
48     difference will be corrected for when this structure is created.
49     */
50     typedef struct Phi0RunData_struct{
51     double c; /**< second integration constant in phi0, value determined by reference point for entropy */
52     double m; /**< first integration constant in phi0, value determined by reference point for enthalpy */
53    
54     unsigned np; /**< number of power terms */
55     Phi0RunPowTerm *pt; /**< power term data, may be NULL if np == 0 */
56     unsigned ne; /**< number of Planck-Einstein aka 'exponential' terms */
57     Phi0RunExpTerm *et; /**< exponential term data, maybe NULL if ne == 0 */
58     } Phi0RunData;
59    
60     typedef struct HelmholtzRunData_struct{
61     double rho_star;/**< normalisation density, kg/m3 */
62     double T_star; /**< normalisation temperature, K */
63    
64     //REMOVED: double p_t; /**< triple-point pressure */
65    
66     unsigned np; /**< number of power terms in residual equation */
67     const HelmholtzPowTerm *pt; /**< power term data for residual eqn, maybe NULL if np == 0 */
68     unsigned ng; /**< number of critical terms of the first kind */
69     const HelmholtzGausTerm *gt; /**< critical terms of the first kind */
70     unsigned nc; /**< number of critical terms of the second kind */
71     const HelmholtzCritTerm *ct; /**< critical terms of the second kind */
72     } HelmholtzRunData;
73    
74     typedef struct PengrobRunData_struct{
75     double aTc; /**< value of 'a' when evaluated at T = T_c */
76     double b; /**< coeficient 'b' in PR EOS */
77     double kappa; /** parameter used in a(T) */
78     } PengrobRunData;
79    
80     typedef union CorrelationUnion_union{
81     HelmholtzRunData *helm;
82     PengrobRunData *pengrob;
83     /* maybe more later */
84     } CorrelationUnion;
85    
86 jpye 2680 /** All runtime 'core' data for all possible correlations, with exception of
87     correlation-type-ID, function pointers and metadata (URLs, publications etc)
88 jpye 2654
89 jpye 2680 TODO FluidData (or PureFluid?) could/should be extended to include the following
90     frequently-calculated items:
91     - fluid properties at triple point (rhoft, rhogt, pt...)
92     - fluid properties at critical point (hc, ...)
93     - accurate saturation curve data (interpolation/spline/something like that)
94     - solutions of iterative solver results, eg (p,h) pairs.
95    
96     This data would be held at this level unless it is correlation-specific in
97     nature, in which case it would belong in lower-level rundata structures.
98     */
99 jpye 2654 typedef struct FluidData_struct{
100     /* common data across all correlations */
101     double R; /**< specific gas constant */
102     double M; /**< molar mass, kg/kmol */
103     double T_t; /**< triple-point temperature */
104     double T_c; /**< critical temperature */
105     double p_c; /**< critical pressure */
106     double rho_c; /**< critical density */
107     double omega; /**< acentric factor (possibly calculated from correlation data)*/
108     Phi0RunData *cp0; /* data for ideal component of Helmholtz energy */
109    
110     /* correlation-specific stuff here */
111     CorrelationUnion corr;
112     } FluidData;
113    
114    
115     /* Definition of a fluid property function pointer */
116     typedef double PropEvalFn(double,double,const FluidData *data, FpropsError *err);
117    
118     /** @return psat */
119     typedef double SatEvalFn(double T,double *rhof, double *rhog, const FluidData *data, FpropsError *err);
120    
121     /**
122     Structure containing all the necessary data and metadata for run-time
123     calculation of fluid properties.
124     */
125     typedef struct PureFluid_struct{
126     const char *name;
127 jpye 2662 const char *source;
128 jpye 2654 EosType type;
129 jpye 2662 FluidData *data; // everything we need at runtime in the following functions should be in here
130 jpye 2654 //Pointers to departure functions
131     PropEvalFn *p_fn;
132     PropEvalFn *u_fn;
133     PropEvalFn *h_fn;
134     PropEvalFn *s_fn;
135     PropEvalFn *a_fn;
136     PropEvalFn *cv_fn;
137     PropEvalFn *cp_fn;
138     PropEvalFn *w_fn;
139     PropEvalFn *g_fn;
140     PropEvalFn *alphap_fn;
141     PropEvalFn *betap_fn;
142     PropEvalFn *dpdrho_T_fn; // this derivative is required for saturation properties by Akasaka method
143     SatEvalFn *sat_fn; // function to return {psat,rhof,rhog}(T) for this pure fluid
144     } PureFluid;
145    
146     #endif

john.pye@anu.edu.au
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