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/* ASCEND modelling environment |
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Copyright (C) 2011 Carnegie Mellon University |
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|
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This program is free software; you can redistribute it and/or modify |
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it under the terms of the GNU General Public License as published by |
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the Free Software Foundation; either version 2, or (at your option) |
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any later version. |
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|
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This program is distributed in the hope that it will be useful, |
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but WITHOUT ANY WARRANTY; without even the implied warranty of |
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MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the |
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GNU General Public License for more details. |
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|
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You should have received a copy of the GNU General Public License |
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along with this program. If not, see <http://www.gnu.org/licenses/>. |
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*//** @file |
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This file contains declarations of the data structures passed to |
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functions that EVALUATE fluid properties. We allow from some preprocessing of |
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data loaded from input files, if deisred/needed. |
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|
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Data declarations as provided in input files are given in filedata.h |
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*/ |
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|
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#ifndef FPROPS_RUNDATA_H |
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#define FPROPS_RUNDATA_H |
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|
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#include "common.h" |
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|
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/* TODO remove this dependency eventually (some helmholtz data objects are not yet being copied into new structures*/ |
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#include "filedata.h" |
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|
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/** Power terms for phi0 (including polynomial) */ |
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typedef struct Cp0RunPowTerm_struct{ |
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double a; |
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double p; |
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} Phi0RunPowTerm; |
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|
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/** Planck-Einstein aka 'exponential' terms for phi0 */ |
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typedef struct Cp0RunExpTerm_struct{ |
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double n; |
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double gamma; |
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} Phi0RunExpTerm; |
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|
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/** |
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Zero-pressure specific heat capacity data for a fluid |
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|
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There is no 'R' or 'cp0star' in this structure. If cp0star != R in the filedata, that |
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difference will be corrected for when this structure is created. |
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*/ |
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typedef struct Phi0RunData_struct{ |
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double c; /**< second integration constant in phi0, value determined by reference point for entropy */ |
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double m; /**< first integration constant in phi0, value determined by reference point for enthalpy */ |
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|
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unsigned np; /**< number of power terms */ |
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Phi0RunPowTerm *pt; /**< power term data, may be NULL if np == 0 */ |
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unsigned ne; /**< number of Planck-Einstein aka 'exponential' terms */ |
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Phi0RunExpTerm *et; /**< exponential term data, maybe NULL if ne == 0 */ |
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} Phi0RunData; |
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|
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typedef struct HelmholtzRunData_struct{ |
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double rho_star;/**< normalisation density, kg/m3 */ |
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double T_star; /**< normalisation temperature, K */ |
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|
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//REMOVED: double p_t; /**< triple-point pressure */ |
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|
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unsigned np; /**< number of power terms in residual equation */ |
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const HelmholtzPowTerm *pt; /**< power term data for residual eqn, maybe NULL if np == 0 */ |
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unsigned ng; /**< number of critical terms of the first kind */ |
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const HelmholtzGausTerm *gt; /**< critical terms of the first kind */ |
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unsigned nc; /**< number of critical terms of the second kind */ |
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const HelmholtzCritTerm *ct; /**< critical terms of the second kind */ |
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} HelmholtzRunData; |
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|
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typedef struct PengrobRunData_struct{ |
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double aTc; /**< value of 'a' when evaluated at T = T_c */ |
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double b; /**< coeficient 'b' in PR EOS */ |
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double kappa; /** parameter used in a(T) */ |
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} PengrobRunData; |
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|
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typedef union CorrelationUnion_union{ |
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HelmholtzRunData *helm; |
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PengrobRunData *pengrob; |
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/* maybe more later */ |
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} CorrelationUnion; |
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|
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/** All runtime 'core' data for all possible correlations, with exception of |
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correlation-type-ID, function pointers and metadata (URLs, publications etc) |
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|
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TODO FluidData (or PureFluid?) could/should be extended to include the following |
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frequently-calculated items: |
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- fluid properties at triple point (rhoft, rhogt, pt...) |
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- fluid properties at critical point (hc, ...) |
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- accurate saturation curve data (interpolation/spline/something like that) |
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- solutions of iterative solver results, eg (p,h) pairs. |
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|
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This data would be held at this level unless it is correlation-specific in |
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nature, in which case it would belong in lower-level rundata structures. |
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*/ |
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typedef struct FluidData_struct{ |
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/* common data across all correlations */ |
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double R; /**< specific gas constant */ |
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double M; /**< molar mass, kg/kmol */ |
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double T_t; /**< triple-point temperature */ |
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double T_c; /**< critical temperature */ |
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double p_c; /**< critical pressure */ |
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double rho_c; /**< critical density */ |
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double omega; /**< acentric factor (possibly calculated from correlation data)*/ |
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Phi0RunData *cp0; /* data for ideal component of Helmholtz energy */ |
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|
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/* correlation-specific stuff here */ |
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CorrelationUnion corr; |
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} FluidData; |
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|
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|
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/* Definition of a fluid property function pointer */ |
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typedef double PropEvalFn(double,double,const FluidData *data, FpropsError *err); |
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|
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/** @return psat */ |
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typedef double SatEvalFn(double T,double *rhof, double *rhog, const FluidData *data, FpropsError *err); |
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|
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/** |
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Structure containing all the necessary data and metadata for run-time |
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calculation of fluid properties. |
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*/ |
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typedef struct PureFluid_struct{ |
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const char *name; |
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const char *source; |
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EosType type; |
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FluidData *data; // everything we need at runtime in the following functions should be in here |
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//Pointers to departure functions |
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PropEvalFn *p_fn; |
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PropEvalFn *u_fn; |
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PropEvalFn *h_fn; |
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PropEvalFn *s_fn; |
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PropEvalFn *a_fn; |
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PropEvalFn *cv_fn; |
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PropEvalFn *cp_fn; |
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PropEvalFn *w_fn; |
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PropEvalFn *g_fn; |
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PropEvalFn *alphap_fn; |
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PropEvalFn *betap_fn; |
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PropEvalFn *dpdrho_T_fn; // this derivative is required for saturation properties by Akasaka method |
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SatEvalFn *sat_fn; // function to return {psat,rhof,rhog}(T) for this pure fluid |
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} PureFluid; |
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|
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#endif |