CoolProp 6.8.1dev
An open-source fluid property and humid air property database
AbstractState.cpp
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1/*
2 * AbstractState.cpp
3 *
4 * Created on: 21 Dec 2013
5 * Author: jowr
6 */
7
8#ifndef _CRT_SECURE_NO_WARNINGS
9#define _CRT_SECURE_NO_WARNINGS
10#endif
11
12#include <stdlib.h>
13#include "math.h"
14#include "AbstractState.h"
15#include "DataStructures.h"
16#include "Backends/IF97/IF97Backend.h"
17#include "Backends/Cubics/CubicBackend.h"
18#include "Backends/Cubics/VTPRBackend.h"
19#include "Backends/Incompressible/IncompressibleBackend.h"
20#include "Backends/PCSAFT/PCSAFTBackend.h"
21
22#if !defined(NO_TABULAR_BACKENDS)
23#include "Backends/Tabular/TTSEBackend.h"
24#include "Backends/Tabular/BicubicBackend.h"
25#endif
26
27namespace CoolProp {
28
31
32class BackendLibrary
33{
34 private:
35 std::map<backend_families, shared_ptr<AbstractStateGenerator>> backends;
36
37 public:
38 void add_backend(const backend_families& bg, const shared_ptr<AbstractStateGenerator>& asg) {
39 backends[bg] = asg;
40 };
41 void get_generator_iterators(const backend_families& bg,
42 std::map<backend_families, shared_ptr<AbstractStateGenerator>>::const_iterator& generator,
43 std::map<backend_families, shared_ptr<AbstractStateGenerator>>::const_iterator& end) {
44 generator = backends.find(bg);
45 end = backends.end();
46 };
47 std::size_t size() {
48 return backends.size();
49 };
50};
51inline BackendLibrary& get_backend_library() {
52 static BackendLibrary the_library;
53 return the_library;
54}
55
56void register_backend(const backend_families& bf, shared_ptr<AbstractStateGenerator> gen) {
57 get_backend_library().add_backend(bf, gen);
58};
59
60class IF97BackendGenerator : public AbstractStateGenerator
61{
62 public:
63 AbstractState* get_AbstractState(const std::vector<std::string>& fluid_names) {
64 if (fluid_names.size() == 1) { // Check that fluid_names[0] has only one component
65 std::string str = fluid_names[0]; // Check that the fluid name is an alias for "Water"
66 if ((upper(str) == "WATER") || (upper(str) == "H2O")) {
67 return new IF97Backend();
68 } else {
69 throw ValueError(format("The IF97 backend returns Water props only; fluid name [%s] not allowed", fluid_names[0].c_str()));
70 }
71 } else {
72 throw ValueError(format("The IF97 backend does not support mixtures, only Water"));
73 };
74 };
75};
76// This static initialization will cause the generator to register
77static GeneratorInitializer<IF97BackendGenerator> if97_gen(IF97_BACKEND_FAMILY);
78class SRKGenerator : public AbstractStateGenerator
79{
80 public:
81 AbstractState* get_AbstractState(const std::vector<std::string>& fluid_names) {
82 return new SRKBackend(fluid_names, get_config_double(R_U_CODATA));
83 };
84};
85static GeneratorInitializer<SRKGenerator> srk_gen(CoolProp::SRK_BACKEND_FAMILY);
86class PRGenerator : public AbstractStateGenerator
87{
88 public:
89 AbstractState* get_AbstractState(const std::vector<std::string>& fluid_names) {
90 return new PengRobinsonBackend(fluid_names, get_config_double(R_U_CODATA));
91 };
92};
93static GeneratorInitializer<PRGenerator> pr_gen(CoolProp::PR_BACKEND_FAMILY);
94class IncompressibleBackendGenerator : public AbstractStateGenerator
95{
96 public:
97 AbstractState* get_AbstractState(const std::vector<std::string>& fluid_names) {
98 if (fluid_names.size() != 1) {
99 throw ValueError(format("For INCOMP backend, name vector must be one element long"));
100 }
101 return new IncompressibleBackend(fluid_names[0]);
102 };
103};
104// This static initialization will cause the generator to register
105static GeneratorInitializer<IncompressibleBackendGenerator> incomp_gen(INCOMP_BACKEND_FAMILY);
106class VTPRGenerator : public CoolProp::AbstractStateGenerator
107{
108 public:
109 CoolProp::AbstractState* get_AbstractState(const std::vector<std::string>& fluid_names) {
110 return new CoolProp::VTPRBackend(fluid_names, CoolProp::get_config_double(R_U_CODATA));
111 };
112};
113// This static initialization will cause the generator to register
114static CoolProp::GeneratorInitializer<VTPRGenerator> vtpr_gen(CoolProp::VTPR_BACKEND_FAMILY);
115
116class PCSAFTGenerator : public CoolProp::AbstractStateGenerator
117{
118 public:
119 CoolProp::AbstractState* get_AbstractState(const std::vector<std::string>& fluid_names) {
120 return new CoolProp::PCSAFTBackend(fluid_names);
121 };
122};
123// This static initialization will cause the generator to register
124static CoolProp::GeneratorInitializer<PCSAFTGenerator> pcsaft_gen(CoolProp::PCSAFT_BACKEND_FAMILY);
125
126AbstractState* AbstractState::factory(const std::string& backend, const std::vector<std::string>& fluid_names) {
127 if (get_debug_level() > 0) {
128 std::cout << "AbstractState::factory(" << backend << "," << stringvec_to_string(fluid_names) << ")" << std::endl;
129 }
130
131 backend_families f1;
132 std::string f2;
133 extract_backend_families_string(backend, f1, f2);
134
135 std::map<backend_families, shared_ptr<AbstractStateGenerator>>::const_iterator gen, end;
136 get_backend_library().get_generator_iterators(f1, gen, end);
137
138 if (get_debug_level() > 0) {
139 std::cout << "AbstractState::factory backend_library size: " << get_backend_library().size() << std::endl;
140 }
141
142 if (gen != end) {
143 // One of the registered backends was able to match the given backend family
144 return gen->second->get_AbstractState(fluid_names);
145 }
146#if !defined(NO_TABULAR_BACKENDS)
147 else if (f1 == TTSE_BACKEND_FAMILY) {
148 // Will throw if there is a problem with this backend
149 shared_ptr<AbstractState> AS(factory(f2, fluid_names));
150 return new TTSEBackend(AS);
151 } else if (f1 == BICUBIC_BACKEND_FAMILY) {
152 // Will throw if there is a problem with this backend
153 shared_ptr<AbstractState> AS(factory(f2, fluid_names));
154 return new BicubicBackend(AS);
155 }
156#endif
157 else if (!backend.compare("?") || backend.empty()) {
158 std::size_t idel = fluid_names[0].find("::");
159 // Backend has not been specified, and we have to figure out what the backend is by parsing the string
160 if (idel == std::string::npos) // No '::' found, no backend specified, try HEOS, otherwise a failure
161 {
162 // Figure out what backend to use
163 return factory("HEOS", fluid_names);
164 } else {
165 // Split string at the '::' into two std::string, call again
166 return factory(std::string(fluid_names[0].begin(), fluid_names[0].begin() + idel),
167 std::string(fluid_names[0].begin() + (idel + 2), fluid_names[0].end()));
168 }
169 } else {
170 throw ValueError(format("Invalid backend name [%s] to factory function", backend.c_str()));
171 }
172}
173std::vector<std::string> AbstractState::fluid_names(void) {
174 return calc_fluid_names();
175}
176bool AbstractState::clear_comp_change() {
177 // Reset all instances of CachedElement and overwrite
178 // the internal double values with -_HUGE
179 this->_molar_mass.clear();
180 this->_critical.fill(_HUGE);
181 this->_reducing.fill(_HUGE);
182 calc_reducing_state();
183 this->_gas_constant = calc_gas_constant();
184 return true;
185}
186bool AbstractState::clear() {
187 // Reset all instances of CachedElement
188 cache.clear();
189
190 this->_critical.fill(_HUGE);
191
193 this->_rhomolar = -_HUGE;
194 this->_T = -_HUGE;
195 this->_p = -_HUGE;
196 this->_Q = -_HUGE;
197
198 return true;
199}
200void AbstractState::mass_to_molar_inputs(CoolProp::input_pairs& input_pair, CoolPropDbl& value1, CoolPropDbl& value2) {
201 // Check if a mass based input, convert it to molar units
202
203 switch (input_pair) {
204 case DmassT_INPUTS:
205 //case HmassT_INPUTS: ///< Enthalpy in J/kg, Temperature in K (NOT CURRENTLY IMPLEMENTED)
206 case SmassT_INPUTS:
207 //case TUmass_INPUTS: ///< Temperature in K, Internal energy in J/kg (NOT CURRENTLY IMPLEMENTED)
208 case DmassP_INPUTS:
209 case DmassQ_INPUTS:
210 case HmassP_INPUTS:
211 case PSmass_INPUTS:
212 case PUmass_INPUTS:
213 case HmassSmass_INPUTS:
214 case SmassUmass_INPUTS:
215 case DmassHmass_INPUTS:
216 case DmassSmass_INPUTS:
217 case DmassUmass_INPUTS:
218 {
219 // Set the cache value for the molar mass if it hasn't been set yet
220 molar_mass();
221
222 // Molar mass (just for compactness of the following switch)
223 CoolPropDbl mm = static_cast<CoolPropDbl>(_molar_mass);
224
225 switch (input_pair) {
226 case DmassT_INPUTS:
227 input_pair = DmolarT_INPUTS;
228 value1 /= mm;
229 break;
230 //case HmassT_INPUTS: input_pair = HmolarT_INPUTS; value1 *= mm; break; (NOT CURRENTLY IMPLEMENTED)
231 case SmassT_INPUTS:
232 input_pair = SmolarT_INPUTS;
233 value1 *= mm;
234 break;
235 //case TUmass_INPUTS: input_pair = TUmolar_INPUTS; value2 *= mm; break; (NOT CURRENTLY IMPLEMENTED)
236 case DmassP_INPUTS:
237 input_pair = DmolarP_INPUTS;
238 value1 /= mm;
239 break;
240 case DmassQ_INPUTS:
241 input_pair = DmolarQ_INPUTS;
242 value1 /= mm;
243 break;
244 case HmassP_INPUTS:
245 input_pair = HmolarP_INPUTS;
246 value1 *= mm;
247 break;
248 case PSmass_INPUTS:
249 input_pair = PSmolar_INPUTS;
250 value2 *= mm;
251 break;
252 case PUmass_INPUTS:
253 input_pair = PUmolar_INPUTS;
254 value2 *= mm;
255 break;
256 case HmassSmass_INPUTS:
257 input_pair = HmolarSmolar_INPUTS;
258 value1 *= mm;
259 value2 *= mm;
260 break;
261 case SmassUmass_INPUTS:
262 input_pair = SmolarUmolar_INPUTS;
263 value1 *= mm;
264 value2 *= mm;
265 break;
266 case DmassHmass_INPUTS:
267 input_pair = DmolarHmolar_INPUTS;
268 value1 /= mm;
269 value2 *= mm;
270 break;
271 case DmassSmass_INPUTS:
272 input_pair = DmolarSmolar_INPUTS;
273 value1 /= mm;
274 value2 *= mm;
275 break;
276 case DmassUmass_INPUTS:
277 input_pair = DmolarUmolar_INPUTS;
278 value1 /= mm;
279 value2 *= mm;
280 break;
281 default:
282 break;
283 }
284 break;
285 }
286 default:
287 return;
288 }
289}
290double AbstractState::trivial_keyed_output(parameters key) {
291 if (get_debug_level() >= 50)
292 std::cout << format("AbstractState: trivial_keyed_output called for %s ", get_parameter_information(key, "short").c_str()) << std::endl;
293 switch (key) {
294 case imolar_mass:
295 return molar_mass();
296 case iacentric_factor:
297 return acentric_factor();
298 case igas_constant:
299 return gas_constant();
300 case iT_min:
301 return Tmin();
302 case iT_triple:
303 return Ttriple();
304 case iT_max:
305 return Tmax();
306 case iP_max:
307 return pmax();
308 case iP_min:
309 case iP_triple:
310 return this->p_triple();
311 case iT_reducing:
312 return calc_T_reducing();
313 case irhomolar_reducing:
314 return calc_rhomolar_reducing();
315 case iP_reducing:
316 return calc_p_reducing();
317 case iP_critical:
318 return this->p_critical();
319 case iT_critical:
320 return this->T_critical();
321 case irhomolar_critical:
322 return this->rhomolar_critical();
323 case irhomass_critical:
324 return this->rhomass_critical();
325 case iODP:
326 return this->calc_ODP();
327 case iGWP100:
328 return this->calc_GWP100();
329 case iGWP20:
330 return this->calc_GWP20();
331 case iGWP500:
332 return this->calc_GWP500();
333 case ifraction_min:
334 return this->calc_fraction_min();
335 case ifraction_max:
336 return this->calc_fraction_max();
337 case iT_freeze:
338 return this->calc_T_freeze();
339 case iFH:
340 return this->calc_flame_hazard();
341 case iHH:
342 return this->calc_health_hazard();
343 case iPH:
344 return this->calc_physical_hazard();
345 case idipole_moment:
346 return this->calc_dipole_moment();
347 default:
348 throw ValueError(
349 format("This input [%d: \"%s\"] is not valid for trivial_keyed_output", key, get_parameter_information(key, "short").c_str()));
350 }
351}
352double AbstractState::keyed_output(parameters key) {
353 if (get_debug_level() >= 50)
354 std::cout << format("AbstractState: keyed_output called for %s ", get_parameter_information(key, "short").c_str()) << std::endl;
355 // Handle trivial inputs
356 if (is_trivial_parameter(key)) {
357 return trivial_keyed_output(key);
358 }
359 switch (key) {
360 case iQ:
361 return Q();
362 case iT:
363 return T();
364 case iP:
365 return p();
366 case iDmolar:
367 return rhomolar();
368 case iDmass:
369 return rhomass();
370 case iHmolar:
371 return hmolar();
372 case iHmolar_residual:
373 return hmolar_residual();
374 case iHmass:
375 return hmass();
376 case iSmolar:
377 return smolar();
378 case iSmolar_residual:
379 return smolar_residual();
380 case iSmass:
381 return smass();
382 case iUmolar:
383 return umolar();
384 case iUmass:
385 return umass();
386 case iGmolar:
387 return gibbsmolar();
388 case iGmolar_residual:
389 return gibbsmolar_residual();
390 case iGmass:
391 return gibbsmass();
392 case iHelmholtzmolar:
393 return helmholtzmolar();
394 case iHelmholtzmass:
395 return helmholtzmass();
396 case iCvmolar:
397 return cvmolar();
398 case iCvmass:
399 return cvmass();
400 case iCpmolar:
401 return cpmolar();
402 case iCp0molar:
403 return cp0molar();
404 case iCpmass:
405 return cpmass();
406 case iCp0mass:
407 return cp0mass();
408 case imolar_mass:
409 return molar_mass();
410 case iT_reducing:
411 return get_reducing_state().T;
412 case irhomolar_reducing:
413 return get_reducing_state().rhomolar;
414 case ispeed_sound:
415 return speed_sound();
416 case ialphar:
417 return alphar();
418 case ialpha0:
419 return alpha0();
420 case idalpha0_ddelta_consttau:
421 return dalpha0_dDelta();
422 case id2alpha0_ddelta2_consttau:
423 return d2alpha0_dDelta2();
424 case id3alpha0_ddelta3_consttau:
425 return d3alpha0_dDelta3();
426 case idalpha0_dtau_constdelta:
427 return dalpha0_dTau();
428 case idalphar_ddelta_consttau:
429 return dalphar_dDelta();
430 case idalphar_dtau_constdelta:
431 return dalphar_dTau();
432 case iBvirial:
433 return Bvirial();
434 case idBvirial_dT:
435 return dBvirial_dT();
436 case iCvirial:
437 return Cvirial();
438 case idCvirial_dT:
439 return dCvirial_dT();
440 case iisothermal_compressibility:
441 return isothermal_compressibility();
442 case iisobaric_expansion_coefficient:
443 return isobaric_expansion_coefficient();
444 case iisentropic_expansion_coefficient:
445 return isentropic_expansion_coefficient();
446 case iviscosity:
447 return viscosity();
448 case iconductivity:
449 return conductivity();
450 case iPrandtl:
451 return Prandtl();
452 case isurface_tension:
453 return surface_tension();
454 case iPhase:
455 return phase();
456 case iZ:
457 return compressibility_factor();
458 case iPIP:
459 return PIP();
460 case ifundamental_derivative_of_gas_dynamics:
461 return fundamental_derivative_of_gas_dynamics();
462 default:
463 throw ValueError(format("This input [%d: \"%s\"] is not valid for keyed_output", key, get_parameter_information(key, "short").c_str()));
464 }
465}
466
467double AbstractState::tau(void) {
468 if (!_tau) _tau = calc_reciprocal_reduced_temperature();
469 return _tau;
470}
471double AbstractState::delta(void) {
472 if (!_delta) _delta = calc_reduced_density();
473 return _delta;
474}
475double AbstractState::Tmin(void) {
476 return calc_Tmin();
477}
478double AbstractState::Tmax(void) {
479 return calc_Tmax();
480}
481double AbstractState::Ttriple(void) {
482 return calc_Ttriple();
483}
484double AbstractState::pmax(void) {
485 return calc_pmax();
486}
487double AbstractState::T_critical(void) {
488 return calc_T_critical();
489}
490double AbstractState::T_reducing(void) {
491 if (!ValidNumber(_reducing.T)) {
492 calc_reducing_state();
493 }
494 return _reducing.T;
495}
496double AbstractState::p_critical(void) {
497 return calc_p_critical();
498}
499double AbstractState::p_triple(void) {
500 return calc_p_triple();
501}
502double AbstractState::rhomolar_critical(void) {
503 return calc_rhomolar_critical();
504}
505double AbstractState::rhomass_critical(void) {
506 return calc_rhomolar_critical() * molar_mass();
507}
508double AbstractState::rhomolar_reducing(void) {
509 if (!ValidNumber(_reducing.rhomolar)) {
510 calc_reducing_state();
511 }
512 return _reducing.rhomolar;
513}
514double AbstractState::rhomass_reducing(void) {
515 return rhomolar_reducing() * molar_mass();
516}
517double AbstractState::hmolar(void) {
518 if (!_hmolar) _hmolar = calc_hmolar();
519 return _hmolar;
520}
521double AbstractState::hmolar_residual(void) {
522 if (!_hmolar_residual) _hmolar_residual = calc_hmolar_residual();
523 return _hmolar_residual;
524}
525double AbstractState::hmolar_excess(void) {
526 if (!_hmolar_excess) calc_excess_properties();
527 return _hmolar_excess;
528}
529double AbstractState::smolar(void) {
530 if (!_smolar) _smolar = calc_smolar();
531 return _smolar;
532}
533double AbstractState::smolar_residual(void) {
534 if (!_smolar_residual) _smolar_residual = calc_smolar_residual();
535 return _smolar_residual;
536}
537double AbstractState::neff(void) {
538 double tau = calc_T_reducing()/_T;
539 double delta = _rhomolar/calc_rhomolar_reducing();
540 double Ar01 = delta*dalphar_dDelta();
541 double Ar11 = tau*delta*d2alphar_dDelta_dTau();
542 double Ar20 = tau*tau*d2alphar_dTau2();
543 return -3.0*(Ar01-Ar11)/Ar20;
544}
545double AbstractState::smolar_excess(void) {
546 if (!_smolar_excess) calc_excess_properties();
547 return _smolar_excess;
548}
549double AbstractState::umolar(void) {
550 if (!_umolar) _umolar = calc_umolar();
551 return _umolar;
552}
553double AbstractState::umolar_excess(void) {
554 if (!_umolar_excess) calc_excess_properties();
555 return _umolar_excess;
556}
557double AbstractState::gibbsmolar(void) {
558 if (!_gibbsmolar) _gibbsmolar = calc_gibbsmolar();
559 return _gibbsmolar;
560}
561double AbstractState::gibbsmolar_residual(void) {
562 if (!_gibbsmolar_residual) _gibbsmolar_residual = calc_gibbsmolar_residual();
563 return _gibbsmolar_residual;
564}
565double AbstractState::gibbsmolar_excess(void) {
566 if (!_gibbsmolar_excess) calc_excess_properties();
567 return _gibbsmolar_excess;
568}
569double AbstractState::helmholtzmolar(void) {
570 if (!_helmholtzmolar) _helmholtzmolar = calc_helmholtzmolar();
571 return _helmholtzmolar;
572}
573double AbstractState::helmholtzmolar_excess(void) {
574 if (!_helmholtzmolar_excess) calc_excess_properties();
575 return _helmholtzmolar_excess;
576}
577double AbstractState::volumemolar_excess(void) {
578 if (!_volumemolar_excess) calc_excess_properties();
579 return _volumemolar_excess;
580}
581double AbstractState::cpmolar(void) {
582 if (!_cpmolar) _cpmolar = calc_cpmolar();
583 return _cpmolar;
584}
585double AbstractState::cp0molar(void) {
586 return calc_cpmolar_idealgas();
587}
588double AbstractState::cvmolar(void) {
589 if (!_cvmolar) _cvmolar = calc_cvmolar();
590 return _cvmolar;
591}
592double AbstractState::speed_sound(void) {
593 if (!_speed_sound) _speed_sound = calc_speed_sound();
594 return _speed_sound;
595}
596double AbstractState::viscosity(void) {
597 if (!_viscosity) _viscosity = calc_viscosity();
598 return _viscosity;
599}
600double AbstractState::conductivity(void) {
601 if (!_conductivity) _conductivity = calc_conductivity();
602 return _conductivity;
603}
604double AbstractState::melting_line(int param, int given, double value) {
605 return calc_melting_line(param, given, value);
606}
607double AbstractState::acentric_factor() {
608 return calc_acentric_factor();
609}
610double AbstractState::saturation_ancillary(parameters param, int Q, parameters given, double value) {
611 return calc_saturation_ancillary(param, Q, given, value);
612}
613double AbstractState::surface_tension(void) {
614 if (!_surface_tension) _surface_tension = calc_surface_tension();
615 return _surface_tension;
616}
617double AbstractState::molar_mass(void) {
618 if (!_molar_mass) _molar_mass = calc_molar_mass();
619 return _molar_mass;
620}
621double AbstractState::gas_constant(void) {
622 if (!_gas_constant) _gas_constant = calc_gas_constant();
623 return _gas_constant;
624}
625double AbstractState::fugacity_coefficient(std::size_t i) {
626 // TODO: Cache the fug. coeff for each component
627 return calc_fugacity_coefficient(i);
628}
629std::vector<double> AbstractState::fugacity_coefficients() {
630 // TODO: Cache the fug. coeff for each component
631 return calc_fugacity_coefficients();
632}
633double AbstractState::fugacity(std::size_t i) {
634 // TODO: Cache the fug. coeff for each component
635 return calc_fugacity(i);
636}
637double AbstractState::chemical_potential(std::size_t i) {
638 // TODO: Cache the chemical potential for each component
639 return calc_chemical_potential(i);
640}
641void AbstractState::build_phase_envelope(const std::string& type) {
642 calc_phase_envelope(type);
643}
644double AbstractState::isothermal_compressibility(void) {
645 return 1.0 / _rhomolar * first_partial_deriv(iDmolar, iP, iT);
646}
647double AbstractState::isobaric_expansion_coefficient(void) {
648 return -1.0 / _rhomolar * first_partial_deriv(iDmolar, iT, iP);
649}
650double AbstractState::isentropic_expansion_coefficient(void) {
651 return _rhomolar / _p * first_partial_deriv(iP, iDmolar, iSmolar);
652}
653double AbstractState::Bvirial(void) {
654 return calc_Bvirial();
655}
656double AbstractState::Cvirial(void) {
657 return calc_Cvirial();
658}
659double AbstractState::dBvirial_dT(void) {
660 return calc_dBvirial_dT();
661}
662double AbstractState::dCvirial_dT(void) {
663 return calc_dCvirial_dT();
664}
665double AbstractState::compressibility_factor(void) {
666 return calc_compressibility_factor();
667}
668
669double AbstractState::fundamental_derivative_of_gas_dynamics() {
670 // See Colonna, FPE, 2010, Eq. 1
671 return 1 + this->second_partial_deriv(iP, iDmass, iSmolar, iDmass, iSmolar) * this->rhomass() / (2 * powInt(speed_sound(), 2));
672};
673
674// Get the derivatives of the parameters in the partial derivative with respect to T and rho
675void get_dT_drho(AbstractState& AS, parameters index, CoolPropDbl& dT, CoolPropDbl& drho) {
676 CoolPropDbl T = AS.T(), rho = AS.rhomolar(), rhor = AS.rhomolar_reducing(), Tr = AS.T_reducing(), dT_dtau = -pow(T, 2) / Tr,
677 R = AS.gas_constant(), delta = rho / rhor, tau = Tr / T;
678
679 switch (index) {
680 case iT:
681 dT = 1;
682 drho = 0;
683 break;
684 case iDmolar:
685 dT = 0;
686 drho = 1;
687 break;
688 case iDmass:
689 dT = 0;
690 drho = AS.molar_mass();
691 break;
692 case iP: {
693 // dp/drho|T
694 drho = R * T * (1 + 2 * delta * AS.dalphar_dDelta() + pow(delta, 2) * AS.d2alphar_dDelta2());
695 // dp/dT|rho
696 dT = rho * R * (1 + delta * AS.dalphar_dDelta() - tau * delta * AS.d2alphar_dDelta_dTau());
697 break;
698 }
699 case iHmass:
700 case iHmolar: {
701 // dh/dT|rho
702 dT = R
703 * (-pow(tau, 2) * (AS.d2alpha0_dTau2() + AS.d2alphar_dTau2())
704 + (1 + delta * AS.dalphar_dDelta() - tau * delta * AS.d2alphar_dDelta_dTau()));
705 // dh/drhomolar|T
706 drho = T * R / rho * (tau * delta * AS.d2alphar_dDelta_dTau() + delta * AS.dalphar_dDelta() + pow(delta, 2) * AS.d2alphar_dDelta2());
707 if (index == iHmass) {
708 // dhmolar/drhomolar|T * dhmass/dhmolar where dhmass/dhmolar = 1/mole mass
709 drho /= AS.molar_mass();
710 dT /= AS.molar_mass();
711 }
712 break;
713 }
714 case iSmass:
715 case iSmolar: {
716 // ds/dT|rho
717 dT = R / T * (-pow(tau, 2) * (AS.d2alpha0_dTau2() + AS.d2alphar_dTau2()));
718 // ds/drho|T
719 drho = R / rho * (-(1 + delta * AS.dalphar_dDelta() - tau * delta * AS.d2alphar_dDelta_dTau()));
720 if (index == iSmass) {
721 // ds/drho|T / drhomass/drhomolar where drhomass/drhomolar = mole mass
722 drho /= AS.molar_mass();
723 dT /= AS.molar_mass();
724 }
725 break;
726 }
727 case iUmass:
728 case iUmolar: {
729 // du/dT|rho
730 dT = R * (-pow(tau, 2) * (AS.d2alpha0_dTau2() + AS.d2alphar_dTau2()));
731 // du/drho|T
732 drho = AS.T() * R / rho * (tau * delta * AS.d2alphar_dDelta_dTau());
733 if (index == iUmass) {
734 // du/drho|T / drhomass/drhomolar where drhomass/drhomolar = mole mass
735 drho /= AS.molar_mass();
736 dT /= AS.molar_mass();
737 }
738 break;
739 }
740 case iGmass:
741 case iGmolar: {
742 // dg/dT|rho
743 double dTau_dT = 1 / dT_dtau;
744 dT = R * AS.T() * (AS.dalpha0_dTau() + AS.dalphar_dTau() + AS.delta() * AS.d2alphar_dDelta_dTau()) * dTau_dT
745 + R * (1 + AS.alpha0() + AS.alphar() + AS.delta() * AS.dalphar_dDelta());
746 // dg/drho|T
747 double dDelta_drho = 1 / rhor;
748 drho = AS.T() * R * (AS.dalpha0_dDelta() + AS.dalphar_dDelta() + AS.delta() * AS.d2alphar_dDelta2() + AS.dalphar_dDelta()) * dDelta_drho;
749 if (index == iGmass) {
750 // dg/drho|T / drhomass/drhomolar where drhomass/drhomolar = mole mass
751 drho /= AS.molar_mass();
752 dT /= AS.molar_mass();
753 }
754 break;
755 }
756 case iTau:
757 dT = 1 / dT_dtau;
758 drho = 0;
759 break;
760 case iDelta:
761 dT = 0;
762 drho = 1 / rhor;
763 break;
764 case iCvmolar:
765 case iCvmass: {
766 // use the second order derivative of internal energy
767 // make it cleaner by using the function get_dT_drho_second_derivatives directly?
768 // dcvdT|rho = d2u/dT2|rho
769 dT = R / T * pow(tau, 2) * (tau * (AS.d3alpha0_dTau3() + AS.d3alphar_dTau3()) + 2 * (AS.d2alpha0_dTau2() + AS.d2alphar_dTau2()));
770 // dcvdrho|T = d2u/dT/drho
771 drho = R / rho * (-pow(tau, 2) * delta * AS.d3alphar_dDelta_dTau2());
772 if (index == iCvmass) {
773 drho /= AS.molar_mass();
774 dT /= AS.molar_mass();
775 }
776 break;
777 }
778 case iCpmolar:
779 case iCpmass: {
780 // dcp/dT|rho = d2h/dT2 + dh/drho * dP/dT * d2P/drhodT / ( dp/drho )^2 - ( d2h/dTdrho * dP/dT + dh/drho * d2P/dT2 ) / ( dP/drho )
781 dT = R / T * pow(tau, 2)
782 * (tau * (AS.d3alpha0_dTau3() + AS.d3alphar_dTau3()) + 2 * (AS.d2alpha0_dTau2() + AS.d2alphar_dTau2())
783 + delta * AS.d3alphar_dDelta_dTau2());
784 dT += (T * R / rho * (tau * delta * AS.d2alphar_dDelta_dTau() + delta * AS.dalphar_dDelta() + pow(delta, 2) * AS.d2alphar_dDelta2()))
785 * (rho * R * (1 + delta * AS.dalphar_dDelta() - tau * delta * AS.d2alphar_dDelta_dTau()))
786 * (R
787 * (1 + 2 * delta * AS.dalphar_dDelta() + pow(delta, 2) * AS.d2alphar_dDelta2() - 2 * delta * tau * AS.d2alphar_dDelta_dTau()
788 - tau * pow(delta, 2) * AS.d3alphar_dDelta2_dTau()))
789 / pow(R * T * (1 + 2 * delta * AS.dalphar_dDelta() + pow(delta, 2) * AS.d2alphar_dDelta2()), 2);
790 dT -= ((R / rho * delta
791 * (delta * AS.d2alphar_dDelta2() - pow(tau, 2) * AS.d3alphar_dDelta_dTau2() + AS.dalphar_dDelta()
792 - tau * delta * AS.d3alphar_dDelta2_dTau() - tau * AS.d2alphar_dDelta_dTau()))
793 * (rho * R * (1 + delta * AS.dalphar_dDelta() - tau * delta * AS.d2alphar_dDelta_dTau()))
794 + (T * R / rho * (tau * delta * AS.d2alphar_dDelta_dTau() + delta * AS.dalphar_dDelta() + pow(delta, 2) * AS.d2alphar_dDelta2()))
795 * (rho * R / T * (pow(tau, 2) * delta * AS.d3alphar_dDelta_dTau2())))
796 / (R * T * (1 + 2 * delta * AS.dalphar_dDelta() + pow(delta, 2) * AS.d2alphar_dDelta2()));
797 // dcpdrho|T = d2h/dTdrho + dh/drho * dP/dT * d2P/drho2 / ( dp/drho )^2 - ( d2h/drho2 * dP/dT + dh/drho * d2P/dTdrho ) / ( dP/drho )
798 drho = R / rho * delta
799 * (delta * AS.d2alphar_dDelta2() - pow(tau, 2) * AS.d3alphar_dDelta_dTau2() + AS.dalphar_dDelta()
800 - tau * delta * AS.d3alphar_dDelta2_dTau() - tau * AS.d2alphar_dDelta_dTau()); //d2h/dTdrho
801 drho +=
802 (T * R / rho * (tau * delta * AS.d2alphar_dDelta_dTau() + delta * AS.dalphar_dDelta() + pow(delta, 2) * AS.d2alphar_dDelta2()))
803 * (rho * R * (1 + delta * AS.dalphar_dDelta() - tau * delta * AS.d2alphar_dDelta_dTau()))
804 * (T * R / rho * (2 * delta * AS.dalphar_dDelta() + 4 * pow(delta, 2) * AS.d2alphar_dDelta2() + pow(delta, 3) * AS.d3alphar_dDelta3()))
805 / pow(R * T * (1 + 2 * delta * AS.dalphar_dDelta() + pow(delta, 2) * AS.d2alphar_dDelta2()), 2);
806 drho -= ((R * T * pow(delta / rho, 2) * (tau * AS.d3alphar_dDelta2_dTau() + 2 * AS.d2alphar_dDelta2() + delta * AS.d3alphar_dDelta3()))
807 * (rho * R * (1 + delta * AS.dalphar_dDelta() - tau * delta * AS.d2alphar_dDelta_dTau()))
808 + (T * R / rho * (tau * delta * AS.d2alphar_dDelta_dTau() + delta * AS.dalphar_dDelta() + pow(delta, 2) * AS.d2alphar_dDelta2()))
809 * (R
810 * (1 + 2 * delta * AS.dalphar_dDelta() + pow(delta, 2) * AS.d2alphar_dDelta2()
811 - 2 * delta * tau * AS.d2alphar_dDelta_dTau() - tau * pow(delta, 2) * AS.d3alphar_dDelta2_dTau())))
812 / (R * T * (1 + 2 * delta * AS.dalphar_dDelta() + pow(delta, 2) * AS.d2alphar_dDelta2()));
813 if (index == iCpmass) {
814 drho /= AS.molar_mass();
815 dT /= AS.molar_mass();
816 }
817 break;
818 }
819 case ispeed_sound: {
820 //dwdT
821 double aa = 1.0 + delta * AS.dalphar_dDelta() - delta * tau * AS.d2alphar_dDelta_dTau();
822 double bb = pow(tau, 2) * (AS.d2alpha0_dTau2() + AS.d2alphar_dTau2());
823 double daa_dTau = -delta * tau * AS.d3alphar_dDelta_dTau2();
824 double dbb_dTau = pow(tau, 2) * (AS.d3alpha0_dTau3() + AS.d3alphar_dTau3()) + 2.0 * tau * (AS.d2alpha0_dTau2() + AS.d2alphar_dTau2());
825 double w = AS.speed_sound();
826 dT = 1.0 / 2.0 / w / T
827 * (pow(w, 2)
828 - R * Tr / AS.molar_mass()
829 * (2.0 * delta * AS.d2alphar_dDelta_dTau() + pow(delta, 2) * AS.d3alphar_dDelta2_dTau()
830 - (2 * aa / bb * daa_dTau - pow(aa / bb, 2) * dbb_dTau)));
831 //dwdrho
832 double daa_dDelta =
833 AS.dalphar_dDelta() + delta * AS.d2alphar_dDelta2() - tau * (AS.d2alphar_dDelta_dTau() + delta * AS.d3alphar_dDelta2_dTau());
834 double dbb_dDelta = pow(tau, 2) * (AS.d3alpha0_dDelta_dTau2() + AS.d3alphar_dDelta_dTau2());
835 drho = R * T / 2.0 / AS.molar_mass() / w / rhor
836 * (2.0 * (AS.dalphar_dDelta() + delta * AS.d2alphar_dDelta2())
837 + (2.0 * delta * AS.d2alphar_dDelta2() + pow(delta, 2) * AS.d3alphar_dDelta3())
838 - (2 * aa / bb * daa_dDelta - pow(aa / bb, 2) * dbb_dDelta));
839 break;
840 }
841 default:
842 throw ValueError(format("input to get_dT_drho[%s] is invalid", get_parameter_information(index, "short").c_str()));
843 }
844}
845void get_dT_drho_second_derivatives(AbstractState& AS, int index, CoolPropDbl& dT2, CoolPropDbl& drho_dT, CoolPropDbl& drho2) {
846 CoolPropDbl T = AS.T(), rho = AS.rhomolar(), rhor = AS.rhomolar_reducing(), Tr = AS.T_reducing(), R = AS.gas_constant(), delta = rho / rhor,
847 tau = Tr / T;
848
849 // Here we use T and rho as independent variables since derivations are already done by Thorade, 2013,
850 // Partial derivatives of thermodynamic state propertiesfor dynamic simulation, DOI 10.1007/s12665-013-2394-z
851
852 switch (index) {
853 case iT:
854 case iDmass:
855 case iDmolar:
856 dT2 = 0; // d2rhomolar_dtau2
857 drho2 = 0;
858 drho_dT = 0;
859 break;
860 case iTau:
861 dT2 = 2 * Tr / pow(T, 3);
862 drho_dT = 0;
863 drho2 = 0;
864 break;
865 case iDelta:
866 dT2 = 0;
867 drho_dT = 0;
868 drho2 = 0;
869 break;
870 case iP: {
871 drho2 =
872 T * R / rho * (2 * delta * AS.dalphar_dDelta() + 4 * pow(delta, 2) * AS.d2alphar_dDelta2() + pow(delta, 3) * AS.d3alphar_dDelta3());
873 dT2 = rho * R / T * (pow(tau, 2) * delta * AS.d3alphar_dDelta_dTau2());
874 drho_dT = R
875 * (1 + 2 * delta * AS.dalphar_dDelta() + pow(delta, 2) * AS.d2alphar_dDelta2() - 2 * delta * tau * AS.d2alphar_dDelta_dTau()
876 - tau * pow(delta, 2) * AS.d3alphar_dDelta2_dTau());
877 break;
878 }
879 case iHmass:
880 case iHmolar: {
881 // d2h/drho2|T
882 drho2 = R * T * pow(delta / rho, 2) * (tau * AS.d3alphar_dDelta2_dTau() + 2 * AS.d2alphar_dDelta2() + delta * AS.d3alphar_dDelta3());
883 // d2h/dT2|rho
884 dT2 = R / T * pow(tau, 2)
885 * (tau * (AS.d3alpha0_dTau3() + AS.d3alphar_dTau3()) + 2 * (AS.d2alpha0_dTau2() + AS.d2alphar_dTau2())
886 + delta * AS.d3alphar_dDelta_dTau2());
887 // d2h/drho/dT
888 drho_dT = R / rho * delta
889 * (delta * AS.d2alphar_dDelta2() - pow(tau, 2) * AS.d3alphar_dDelta_dTau2() + AS.dalphar_dDelta()
890 - tau * delta * AS.d3alphar_dDelta2_dTau() - tau * AS.d2alphar_dDelta_dTau());
891 if (index == iHmass) {
892 drho2 /= AS.molar_mass();
893 drho_dT /= AS.molar_mass();
894 dT2 /= AS.molar_mass();
895 }
896 break;
897 }
898 case iSmass:
899 case iSmolar: {
900 // d2s/rho2|T
901 drho2 = R / pow(rho, 2) * (1 - pow(delta, 2) * AS.d2alphar_dDelta2() + tau * pow(delta, 2) * AS.d3alphar_dDelta2_dTau());
902 // d2s/dT2|rho
903 dT2 = R * pow(tau / T, 2) * (tau * (AS.d3alpha0_dTau3() + AS.d3alphar_dTau3()) + 3 * (AS.d2alpha0_dTau2() + AS.d2alphar_dTau2()));
904 // d2s/drho/dT
905 drho_dT = R / (T * rho) * (-pow(tau, 2) * delta * AS.d3alphar_dDelta_dTau2());
906 if (index == iSmass) {
907 drho2 /= AS.molar_mass();
908 drho_dT /= AS.molar_mass();
909 dT2 /= AS.molar_mass();
910 }
911 break;
912 }
913 case iUmass:
914 case iUmolar: {
915 // d2u/rho2|T
916 drho2 = R * T * tau * pow(delta / rho, 2) * AS.d3alphar_dDelta2_dTau();
917 // d2u/dT2|rho
918 dT2 = R / T * pow(tau, 2) * (tau * (AS.d3alpha0_dTau3() + AS.d3alphar_dTau3()) + 2 * (AS.d2alpha0_dTau2() + AS.d2alphar_dTau2()));
919 // d2u/drho/dT
920 drho_dT = R / rho * (-pow(tau, 2) * delta * AS.d3alphar_dDelta_dTau2());
921 if (index == iUmass) {
922 drho2 /= AS.molar_mass();
923 drho_dT /= AS.molar_mass();
924 dT2 /= AS.molar_mass();
925 }
926 break;
927 }
928 default:
929 throw ValueError(format("input to get_dT_drho_second_derivatives[%s] is invalid", get_parameter_information(index, "short").c_str()));
930 }
931}
932CoolPropDbl AbstractState::calc_first_partial_deriv(parameters Of, parameters Wrt, parameters Constant) {
933 CoolPropDbl dOf_dT, dOf_drho, dWrt_dT, dWrt_drho, dConstant_dT, dConstant_drho;
934
935 get_dT_drho(*this, Of, dOf_dT, dOf_drho);
936 get_dT_drho(*this, Wrt, dWrt_dT, dWrt_drho);
937 get_dT_drho(*this, Constant, dConstant_dT, dConstant_drho);
938
939 return (dOf_dT * dConstant_drho - dOf_drho * dConstant_dT) / (dWrt_dT * dConstant_drho - dWrt_drho * dConstant_dT);
940}
941CoolPropDbl AbstractState::calc_second_partial_deriv(parameters Of1, parameters Wrt1, parameters Constant1, parameters Wrt2, parameters Constant2) {
942 CoolPropDbl dOf1_dT, dOf1_drho, dWrt1_dT, dWrt1_drho, dConstant1_dT, dConstant1_drho, d2Of1_dT2, d2Of1_drhodT, d2Of1_drho2, d2Wrt1_dT2,
943 d2Wrt1_drhodT, d2Wrt1_drho2, d2Constant1_dT2, d2Constant1_drhodT, d2Constant1_drho2, dWrt2_dT, dWrt2_drho, dConstant2_dT, dConstant2_drho, N, D,
944 dNdrho__T, dDdrho__T, dNdT__rho, dDdT__rho, dderiv1_drho, dderiv1_dT, second;
945
946 // First and second partials needed for terms involved in first derivative
947 get_dT_drho(*this, Of1, dOf1_dT, dOf1_drho);
948 get_dT_drho(*this, Wrt1, dWrt1_dT, dWrt1_drho);
949 get_dT_drho(*this, Constant1, dConstant1_dT, dConstant1_drho);
950 get_dT_drho_second_derivatives(*this, Of1, d2Of1_dT2, d2Of1_drhodT, d2Of1_drho2);
951 get_dT_drho_second_derivatives(*this, Wrt1, d2Wrt1_dT2, d2Wrt1_drhodT, d2Wrt1_drho2);
952 get_dT_drho_second_derivatives(*this, Constant1, d2Constant1_dT2, d2Constant1_drhodT, d2Constant1_drho2);
953
954 // First derivatives of terms involved in the second derivative
955 get_dT_drho(*this, Wrt2, dWrt2_dT, dWrt2_drho);
956 get_dT_drho(*this, Constant2, dConstant2_dT, dConstant2_drho);
957
958 // Numerator and denominator of first partial derivative term
959 N = dOf1_dT * dConstant1_drho - dOf1_drho * dConstant1_dT;
960 D = dWrt1_dT * dConstant1_drho - dWrt1_drho * dConstant1_dT;
961
962 // Derivatives of the numerator and denominator of the first partial derivative term with respect to rho, T held constant
963 // They are of similar form, with Of1 and Wrt1 swapped
964 dNdrho__T = dOf1_dT * d2Constant1_drho2 + d2Of1_drhodT * dConstant1_drho - dOf1_drho * d2Constant1_drhodT - d2Of1_drho2 * dConstant1_dT;
965 dDdrho__T = dWrt1_dT * d2Constant1_drho2 + d2Wrt1_drhodT * dConstant1_drho - dWrt1_drho * d2Constant1_drhodT - d2Wrt1_drho2 * dConstant1_dT;
966
967 // Derivatives of the numerator and denominator of the first partial derivative term with respect to T, rho held constant
968 // They are of similar form, with Of1 and Wrt1 swapped
969 dNdT__rho = dOf1_dT * d2Constant1_drhodT + d2Of1_dT2 * dConstant1_drho - dOf1_drho * d2Constant1_dT2 - d2Of1_drhodT * dConstant1_dT;
970 dDdT__rho = dWrt1_dT * d2Constant1_drhodT + d2Wrt1_dT2 * dConstant1_drho - dWrt1_drho * d2Constant1_dT2 - d2Wrt1_drhodT * dConstant1_dT;
971
972 // First partial of first derivative term with respect to T
973 dderiv1_drho = (D * dNdrho__T - N * dDdrho__T) / pow(D, 2);
974
975 // First partial of first derivative term with respect to rho
976 dderiv1_dT = (D * dNdT__rho - N * dDdT__rho) / pow(D, 2);
977
978 // Complete second derivative
979 second = (dderiv1_dT * dConstant2_drho - dderiv1_drho * dConstant2_dT) / (dWrt2_dT * dConstant2_drho - dWrt2_drho * dConstant2_dT);
980
981 return second;
982}
983// // ----------------------------------------
984// // Smoothing functions for density
985// // ----------------------------------------
986// /// A smoothed version of the derivative using a spline curve in the region of x=0 to x=xend
987// virtual double AbstractState::drhodh_constp_smoothed(double xend);
988// /// A smoothed version of the derivative using a spline curve in the region of x=0 to x=xend
989// virtual double AbstractState::drhodp_consth_smoothed(double xend);
990// /// Density corresponding to the smoothed derivatives in the region of x=0 to x=xend
991// virtual void AbstractState::rho_smoothed(double xend, double *rho_spline, double *dsplinedh, double *dsplinedp);
992
993} /* namespace CoolProp */
994
995#ifdef ENABLE_CATCH
996
997#include <catch2/catch_all.hpp>
998
999TEST_CASE("Check AbstractState", "[AbstractState]") {
1000 SECTION("bad backend") {
1001 CHECK_THROWS(shared_ptr<CoolProp::AbstractState>(CoolProp::AbstractState::factory("DEFINITELY_A_BAD_BACKEND", "Water")));
1002 }
1003 SECTION("good backend - bad fluid") {
1004 CHECK_THROWS(shared_ptr<CoolProp::AbstractState>(CoolProp::AbstractState::factory("HEOS", "DEFINITELY_A_BAD_FLUID")));
1005 }
1006 SECTION("good backend - helmholtz") {
1007 CHECK_NOTHROW(shared_ptr<CoolProp::AbstractState>(CoolProp::AbstractState::factory("HEOS", "Water")));
1008 }
1009 SECTION("good backend - incomp") {
1010 CHECK_NOTHROW(shared_ptr<CoolProp::AbstractState>(CoolProp::AbstractState::factory("INCOMP", "DEB")));
1011 }
1012 SECTION("good backend - REFPROP") {
1013 CHECK_NOTHROW(shared_ptr<CoolProp::AbstractState>(CoolProp::AbstractState::factory("REFPROP", "Water")));
1014 }
1015}
1016
1017TEST_CASE("Check derivatives in first_partial_deriv", "[derivs_in_first_partial_deriv]") {
1018 shared_ptr<CoolProp::AbstractState> Water(CoolProp::AbstractState::factory("HEOS", "Water"));
1019 shared_ptr<CoolProp::AbstractState> WaterplusT(CoolProp::AbstractState::factory("HEOS", "Water"));
1020 shared_ptr<CoolProp::AbstractState> WaterminusT(CoolProp::AbstractState::factory("HEOS", "Water"));
1021 shared_ptr<CoolProp::AbstractState> Waterplusrho(CoolProp::AbstractState::factory("HEOS", "Water"));
1022 shared_ptr<CoolProp::AbstractState> Waterminusrho(CoolProp::AbstractState::factory("HEOS", "Water"));
1023
1024 double dT = 1e-3, drho = 1;
1025 Water->update(CoolProp::PT_INPUTS, 101325, 300);
1026 WaterplusT->update(CoolProp::DmolarT_INPUTS, Water->rhomolar(), 300 + dT);
1027 WaterminusT->update(CoolProp::DmolarT_INPUTS, Water->rhomolar(), 300 - dT);
1028 Waterplusrho->update(CoolProp::DmolarT_INPUTS, Water->rhomolar() + drho, 300);
1029 Waterminusrho->update(CoolProp::DmolarT_INPUTS, Water->rhomolar() - drho, 300);
1030
1031 // Numerical derivatives
1032 CoolPropDbl dP_dT_num = (WaterplusT->p() - WaterminusT->p()) / (2 * dT);
1033 CoolPropDbl dP_drho_num = (Waterplusrho->p() - Waterminusrho->p()) / (2 * drho);
1034
1035 CoolPropDbl dHmolar_dT_num = (WaterplusT->hmolar() - WaterminusT->hmolar()) / (2 * dT);
1036 CoolPropDbl dHmolar_drho_num = (Waterplusrho->hmolar() - Waterminusrho->hmolar()) / (2 * drho);
1037 CoolPropDbl dHmass_dT_num = (WaterplusT->hmass() - WaterminusT->hmass()) / (2 * dT);
1038 CoolPropDbl dHmass_drho_num = (Waterplusrho->hmass() - Waterminusrho->hmass()) / (2 * drho);
1039
1040 CoolPropDbl dSmolar_dT_num = (WaterplusT->smolar() - WaterminusT->smolar()) / (2 * dT);
1041 CoolPropDbl dSmolar_drho_num = (Waterplusrho->smolar() - Waterminusrho->smolar()) / (2 * drho);
1042 CoolPropDbl dSmass_dT_num = (WaterplusT->smass() - WaterminusT->smass()) / (2 * dT);
1043 CoolPropDbl dSmass_drho_num = (Waterplusrho->smass() - Waterminusrho->smass()) / (2 * drho);
1044
1045 CoolPropDbl dUmolar_dT_num = (WaterplusT->umolar() - WaterminusT->umolar()) / (2 * dT);
1046 CoolPropDbl dUmolar_drho_num = (Waterplusrho->umolar() - Waterminusrho->umolar()) / (2 * drho);
1047 CoolPropDbl dUmass_dT_num = (WaterplusT->umass() - WaterminusT->umass()) / (2 * dT);
1048 CoolPropDbl dUmass_drho_num = (Waterplusrho->umass() - Waterminusrho->umass()) / (2 * drho);
1049
1050 CoolPropDbl dGmolar_dT_num = (WaterplusT->gibbsmolar() - WaterminusT->gibbsmolar()) / (2 * dT);
1051 CoolPropDbl dGmolar_drho_num = (Waterplusrho->gibbsmolar() - Waterminusrho->gibbsmolar()) / (2 * drho);
1052 CoolPropDbl dGmass_dT_num = (WaterplusT->gibbsmass() - WaterminusT->gibbsmass()) / (2 * dT);
1053 CoolPropDbl dGmass_drho_num = (Waterplusrho->gibbsmass() - Waterminusrho->gibbsmass()) / (2 * drho);
1054
1055 CoolPropDbl dCvmolar_dT_num = (WaterplusT->cvmolar() - WaterminusT->cvmolar()) / (2 * dT);
1056 CoolPropDbl dCvmolar_drho_num = (Waterplusrho->cvmolar() - Waterminusrho->cvmolar()) / (2 * drho);
1057 CoolPropDbl dCvmass_dT_num = (WaterplusT->cvmass() - WaterminusT->cvmass()) / (2 * dT);
1058 CoolPropDbl dCvmass_drho_num = (Waterplusrho->cvmass() - Waterminusrho->cvmass()) / (2 * drho);
1059
1060 CoolPropDbl dCpmolar_dT_num = (WaterplusT->cpmolar() - WaterminusT->cpmolar()) / (2 * dT);
1061 CoolPropDbl dCpmolar_drho_num = (Waterplusrho->cpmolar() - Waterminusrho->cpmolar()) / (2 * drho);
1062 CoolPropDbl dCpmass_dT_num = (WaterplusT->cpmass() - WaterminusT->cpmass()) / (2 * dT);
1063 CoolPropDbl dCpmass_drho_num = (Waterplusrho->cpmass() - Waterminusrho->cpmass()) / (2 * drho);
1064
1065 CoolPropDbl dspeed_sound_dT_num = (WaterplusT->speed_sound() - WaterminusT->speed_sound()) / (2 * dT);
1066 CoolPropDbl dspeed_sound_drho_num = (Waterplusrho->speed_sound() - Waterminusrho->speed_sound()) / (2 * drho);
1067
1068 // Pressure
1069 CoolPropDbl dP_dT_analyt, dP_drho_analyt;
1070 CoolProp::get_dT_drho(*Water, CoolProp::iP, dP_dT_analyt, dP_drho_analyt);
1071 // Enthalpy
1072 CoolPropDbl dHmolar_dT_analyt, dHmolar_drho_analyt;
1073 CoolProp::get_dT_drho(*Water, CoolProp::iHmolar, dHmolar_dT_analyt, dHmolar_drho_analyt);
1074 CoolPropDbl dHmass_dT_analyt, dHmass_drho_analyt;
1075 CoolProp::get_dT_drho(*Water, CoolProp::iHmass, dHmass_dT_analyt, dHmass_drho_analyt);
1076 // Entropy
1077 CoolPropDbl dSmolar_dT_analyt, dSmolar_drho_analyt;
1078 CoolProp::get_dT_drho(*Water, CoolProp::iSmolar, dSmolar_dT_analyt, dSmolar_drho_analyt);
1079 CoolPropDbl dSmass_dT_analyt, dSmass_drho_analyt;
1080 CoolProp::get_dT_drho(*Water, CoolProp::iSmass, dSmass_dT_analyt, dSmass_drho_analyt);
1081 // Internal energy
1082 CoolPropDbl dUmolar_dT_analyt, dUmolar_drho_analyt;
1083 CoolProp::get_dT_drho(*Water, CoolProp::iUmolar, dUmolar_dT_analyt, dUmolar_drho_analyt);
1084 CoolPropDbl dUmass_dT_analyt, dUmass_drho_analyt;
1085 CoolProp::get_dT_drho(*Water, CoolProp::iUmass, dUmass_dT_analyt, dUmass_drho_analyt);
1086 // Gibbs
1087 CoolPropDbl dGmolar_dT_analyt, dGmolar_drho_analyt;
1088 CoolProp::get_dT_drho(*Water, CoolProp::iGmolar, dGmolar_dT_analyt, dGmolar_drho_analyt);
1089 CoolPropDbl dGmass_dT_analyt, dGmass_drho_analyt;
1090 CoolProp::get_dT_drho(*Water, CoolProp::iGmass, dGmass_dT_analyt, dGmass_drho_analyt);
1091 // Isochoric heat capacity
1092 CoolPropDbl dCvmolar_dT_analyt, dCvmolar_drho_analyt;
1093 CoolProp::get_dT_drho(*Water, CoolProp::iCvmolar, dCvmolar_dT_analyt, dCvmolar_drho_analyt);
1094 CoolPropDbl dCvmass_dT_analyt, dCvmass_drho_analyt;
1095 CoolProp::get_dT_drho(*Water, CoolProp::iCvmass, dCvmass_dT_analyt, dCvmass_drho_analyt);
1096 // Isobaric heat capacity
1097 CoolPropDbl dCpmolar_dT_analyt, dCpmolar_drho_analyt;
1098 CoolProp::get_dT_drho(*Water, CoolProp::iCpmolar, dCpmolar_dT_analyt, dCpmolar_drho_analyt);
1099 CoolPropDbl dCpmass_dT_analyt, dCpmass_drho_analyt;
1100 CoolProp::get_dT_drho(*Water, CoolProp::iCpmass, dCpmass_dT_analyt, dCpmass_drho_analyt);
1101 // Speed of sound
1102 CoolPropDbl dspeed_sound_dT_analyt, dspeed_sound_drho_analyt;
1103 CoolProp::get_dT_drho(*Water, CoolProp::ispeed_sound, dspeed_sound_dT_analyt, dspeed_sound_drho_analyt);
1104
1105 double eps = 1e-3;
1106
1107 CHECK(std::abs(dP_dT_analyt / dP_dT_num - 1) < eps);
1108 CHECK(std::abs(dP_drho_analyt / dP_drho_num - 1) < eps);
1109
1110 CHECK(std::abs(dHmolar_dT_analyt / dHmolar_dT_num - 1) < eps);
1111 CHECK(std::abs(dHmolar_drho_analyt / dHmolar_drho_num - 1) < eps);
1112 CHECK(std::abs(dHmass_dT_analyt / dHmass_dT_num - 1) < eps);
1113 CHECK(std::abs(dHmass_drho_analyt / dHmass_drho_num - 1) < eps);
1114
1115 CHECK(std::abs(dSmolar_dT_analyt / dSmolar_dT_num - 1) < eps);
1116 CHECK(std::abs(dSmolar_drho_analyt / dSmolar_drho_num - 1) < eps);
1117 CHECK(std::abs(dSmass_dT_analyt / dSmass_dT_num - 1) < eps);
1118 CHECK(std::abs(dSmass_drho_analyt / dSmass_drho_num - 1) < eps);
1119
1120 CHECK(std::abs(dUmolar_dT_analyt / dUmolar_dT_num - 1) < eps);
1121 CHECK(std::abs(dUmolar_drho_analyt / dUmolar_drho_num - 1) < eps);
1122 CHECK(std::abs(dUmass_dT_analyt / dUmass_dT_num - 1) < eps);
1123 CHECK(std::abs(dUmass_drho_analyt / dUmass_drho_num - 1) < eps);
1124
1125 CHECK(std::abs(dGmolar_dT_analyt / dGmolar_dT_num - 1) < eps);
1126 CHECK(std::abs(dGmolar_drho_analyt / dGmolar_drho_num - 1) < eps);
1127 CHECK(std::abs(dGmass_dT_analyt / dGmass_dT_num - 1) < eps);
1128 CHECK(std::abs(dGmass_drho_analyt / dGmass_drho_num - 1) < eps);
1129
1130 CHECK(std::abs(dCvmolar_dT_analyt / dCvmolar_dT_num - 1) < eps);
1131 CHECK(std::abs(dCvmolar_drho_analyt / dCvmolar_drho_num - 1) < eps);
1132 CHECK(std::abs(dCvmass_dT_analyt / dCvmass_dT_num - 1) < eps);
1133 CHECK(std::abs(dCvmass_drho_analyt / dCvmass_drho_num - 1) < eps);
1134
1135 CHECK(std::abs(dCpmolar_dT_analyt / dCpmolar_dT_num - 1) < eps);
1136 CHECK(std::abs(dCpmolar_drho_analyt / dCpmolar_drho_num - 1) < eps);
1137 CHECK(std::abs(dCpmass_dT_analyt / dCpmass_dT_num - 1) < eps);
1138 CHECK(std::abs(dCpmass_drho_analyt / dCpmass_drho_num - 1) < eps);
1139
1140 CHECK(std::abs(dspeed_sound_dT_analyt / dspeed_sound_dT_num - 1) < eps);
1141 CHECK(std::abs(dspeed_sound_drho_analyt / dspeed_sound_drho_num - 1) < eps);
1142}
1143
1144#endif
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