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611 Commits

Author SHA1 Message Date
Ian Bell
1a82468c68 Expose mixture binary pair data all the way through python 
Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-09-25 13:43:29 +02:00
Ian Bell
c0157c0814 Added the ability to set/unset the phase for the abstract state class 
Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-09-15 16:17:01 +02:00
Ian Bell
1d940ec8bf Removed old melting line functions 
Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-09-15 15:00:41 +02:00
Ian Bell
67e26391b0 Killed off doxygen errors 
Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-09-13 15:57:57 +02:00
Ian Bell
34f318d903 Added Q to SimpleState for use in phase envelope 
Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-09-12 20:58:18 +02:00
Ian Bell
20cae192b0 Added necessary code to get sat_p working for dewpoint calculations, phase envelopes build for R32/R125 - was getting bad density roots 
Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-09-11 02:15:19 +02:00
Ian Bell
58556c6e14 Expose mole fractions of liquid and vapor through python 
Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-09-11 02:12:44 +02:00
Ian Bell
86f52bdf4e Phase Envelope calculations now include Tsat_max and psat_max, along with indices thereof. 
The Tsat_max and psat_max values are calculated using exact solution based on finding dT/dP and dp/dT equaling zero by a 1D solution in rhov.

See also https://github.com/CoolProp/CoolProp/issues/133

Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-09-10 15:17:19 +02:00
Ian Bell
92299092a4 Updated python wrappers of both Abstract State and old kSI based state class 
Fixed cp0
Works again with PDSim
Closes https://github.com/CoolProp/CoolProp/issues/134

Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-09-09 14:30:42 +02:00
Ian Bell
853228f847 Reverted gas constant normalization - implemented constant R_u for mixtures with no other changes 
Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-09-08 19:31:07 +02:00
Ian Bell
edf39c7387 Finished normalization of the gas constants 
Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-09-08 17:34:05 +02:00
Ian Bell
068e737388 TP flash basically working again for mixtures 
Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-09-08 00:08:18 +02:00
Ian Bell
cdc21e38e8 PhaseEnvelopeData can be extracted using the get_phase_envelope_data function from the AbstractState 
Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-09-06 21:41:14 +02:00
Ian Bell
e9fde257fe PhaseEnvelopeData now in CoolProp namespace 
Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-09-06 21:40:08 +02:00
Ian Bell
b6f9ce89ed Moved PhaseEnvelope.h to include folder 
Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-09-06 21:08:43 +02:00
Ian Bell
a25022e596 Interpolation functions take in std::size_t instead of int 
Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-09-06 20:05:07 +02:00
Ian Bell
73c90b4b01 Gas constants are now all set to CODATA 2010 value and terms n_i in residual terms are multiplied by R_u_old/R_u_new 
Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-09-06 18:09:01 +02:00
Ian Bell
05e29c85ae Added value for ideal gas constant from CODATA 2010 for use with normalization of ideal gas constants with mixtures 
Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-09-06 18:01:55 +02:00
Ian Bell
8fdd1fddaf Refactor of mixing parameters successful 
Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-09-06 15:41:33 +02:00
Ian Bell
f021e422e6 Add min_abs_value function 
Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-09-03 17:36:55 +01:00
Ian Bell
0cd7b88139 More useful error message for critical spline 
Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-09-03 17:36:29 +01:00
Ian Bell
fca950907f Implemented benzene viscosity correlation of Avgeri et al. from JPCRD, 2014 
Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-09-02 14:56:04 +01:00
Ian Bell
bbc97ac230 Added methanol viscosity correlation to close https://github.com/CoolProp/CoolProp/issues/82 
Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-08-26 23:12:16 +02:00
Ian Bell
229552ff93 Removed debugging commands 
Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-08-26 21:01:24 +02:00
Ian Bell
05f4c64049 Potentially fixed critical spline code for linear and quadratic "splines". Closes https://github.com/CoolProp/CoolProp/issues/111 
Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-08-26 19:31:25 +02:00
Ian Bell
799422fe40 Implemented generalized second derivative, seems to work, implemented at PropsSI level too 
Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-08-24 17:26:46 +02:00
Ian Bell
4b082029c4 Finally repaired flash routines. 
Some edge cases remain

Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-08-24 13:40:46 +02:00
Ian Bell
d3261395bf Replaced all fabs() with std::abs() 
Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-08-23 14:56:07 +02:00
Ian Bell
cd8ee9eb52 Added code and tests for saturation ancillaries (p, rho', rho'') 
Closes https://github.com/CoolProp/CoolProp/issues/75

Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-08-23 13:01:56 +02:00
Ian Bell
69bbdc693b Reimplemented critical region splines all the way from scripts to build to C++ code 
Closes https://github.com/CoolProp/CoolProp/issues/94

Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-08-22 22:14:48 +02:00
Ian Bell
ab98aae25d Added cross-references for transport flags 2014-08-21 01:17:54 +02:00
Ian Bell
b4ff7a8cc5 Implemented viscosity for cyclohexane from Tariq, 2014. 
Added unit tests, reformulated initial density term

Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-08-21 00:50:57 +02:00
Ian Bell
b4b24ae1a3 Fixed macros for POW2, POW3, etc. 
Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-08-21 00:45:53 +02:00
Ian Bell
0dcdf7ef5d Implemented PQ for pseudo-pure to close https://github.com/CoolProp/CoolProp/issues/92 
* As a consequence, made update function take CoolProp::input_pairs enum as first input (thanks @jowr for the idea)
* Decoupled the pre_update and post_update functions in order to allow for more creative update functions using guess values, etc.

Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-08-20 21:44:13 +02:00
Ian Bell
f43a0b792b Humid air properties now use string instead of char* 
Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-08-19 21:55:23 +02:00
Ian Bell
881a6c4616 Added handling for first partial derivative as a string - added tests - they pass 
Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-08-19 00:34:26 +02:00
Ian Bell
e32dfcf255 Updates to docs 
Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-08-19 00:30:56 +02:00
Ian Bell
ad15288c23 Byebye to Armadillo (maybe reconsider later on) 
Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-08-18 19:28:00 +02:00
Ian Bell
39a99e183c Removed _forceSinglePhase, _forceTwoPhase (not used), specify_phase() should be used instead 
Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-08-18 19:25:25 +02:00
Ian Bell
9293c6355c For posterity's sake, a version using armadillo - not an improvement... slower than Eigen 
Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-08-18 09:47:02 +02:00
Ian Bell
f7464fcaa2 Implemented Eigen solution for all() function, speed testing next 
Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-08-17 21:09:27 +02:00
Ian Bell
9a1a0122e3 Renamed Derivatives to HelmholtzDerivatives; they all check fine 
Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-08-16 14:26:25 +02:00
Ian Bell
5cad463158 Parallel derivatives finished for NonAnalytic term 
Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-08-16 14:11:27 +02:00
Ian Bell
68d3725ffd Added tests for undefined parameters; documented undocumented parameters 
Closes https://github.com/CoolProp/CoolProp/issues/97

Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-08-16 12:40:35 +02:00
Ian Bell
c1e9455cb2 Reset the values for the Generalized Exponential term 
Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-08-16 01:27:38 +02:00
Ian Bell
eee8139306 SAFT has transitioned to parallel evaluation of derivatives, though it isn't truly parallel since there is some duplication 
Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-08-15 22:34:24 +02:00
Ian Bell
29632c72e6 Transition complete to generalized exponential term 
Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-08-15 22:03:40 +02:00
Ian Bell
2270f9f076 Helmholtz derivatives are all calculated using parallel code - next step is to remove classes from Helmholtz 
Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-08-15 21:16:41 +02:00
Ian Bell
61bc24e7b1 phases is now an enum, added (non-working) critical region VLE solver 
Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-08-15 17:13:00 +02:00
Ian Bell
c3508c3f55 Added parallel evaluation of residual helmholtz terms 
Should in the end only slow down by 1.2x, but calculate at least up to second order derivatives all at once, so net speedup of 5 if calculating all first and second order partials !!

Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
 2014-08-15 15:42:47 +02:00