pyEQL 0.5.2__py3-none-any.whl → 1.0.3__py3-none-any.whl

pyEQL/database/Erying_viscosity.tsv

@@ -1,18 +0,0 @@
-Name:	erying_viscosity_coefficients			
-Description:	ao, a1,bo,b1 parameters for the viscosity equation presented in Vasquez-Castillo (2013)			
-Unit:	None			
-Reference:	Vasquez-Castillo, G.; Iglesias-Silva, G. A.; Hall, K. R. An extension of the McAllister model to correlate kinematic viscosity of electrolyte solutions. Fluid Phase Equilib. 2013, 358, 44-49.			
-Temperature:				
-Pressure:				
-Ionic Strength:				
-Uncertainty:				
-Uncertainty Type:				
-Comment:	(ao,a1,bo,b1)			
-				
-Key:	ao	a1	bo	b1
-KBr	472.872	-18.413	-2.8192	0.38256
-KCl	267.401	-13.852	-2.0463	0.35278
-KI	318.139	-10.847	-2.8577	0.40268
-NaBr	361.081	-13.888	-0.0425	0.19641
-NaCl	374.626	-16.229	0.56609	0.15215
-NaI	401.019	-15.841	-0.4286	0.2268

pyEQL/database/Jones_Dole_B.tsv

@@ -1,32 +0,0 @@
-Name	jones_dole_B
-Description	B' Parameter in the Jones-Dole equation for relative viscosity
-Unit	dm ** 3 / mol
-Reference	"B. Tansel, Significance of thermodynamic and physical characteristics on permeation of ions during membrane separation: Hydrated radius, hydration free energy and viscous effects, Sep. Purif. Technol. 86 (2012) 119-126."
-Temperature	273 K
-Pressure	1 atm
-Ionic Strength	0
-Uncertainty	
-Uncertainty Type	
-Comment	"Average of several values reported in the paper, weighted by the number of references for each"
-	
-Key	Value
-Ag+	0.143
-Al+3	0.670
-Ca+2	0.2893
-Cs+	-0.045
-Fe+2	0.520
-Li+	0.1495
-K+	-0.0077
-Mg+2	0.385
-NH4+	-0.0075
-Na+	0.0855
-Ni+2	0.510
-Zn+2	0.429
-Br-	-0.0326
-Cl-	-0.006
-CLO4-	-0.0585
-F-	0.1023
-I-	-0.0697
-NO3-	-0.0455
-PO4-3	0.486
-SO4-2	0.2066

pyEQL/database/Jones_Dole_B_inorganic_Jenkins.tsv

@@ -1,75 +0,0 @@
-Name	jones_dole_B
-Description	'B' Parameter in the Jones-Dole equation for relative viscosity
-Unit	dm ** 3 / mol
-Reference	"H.D.B. Jenkins, Y. Marcus, Viscosity B Coefficients of Ions in Solution, Chem. Rev. 95 (1995) 2695–2724."
-Temperature	298 K
-Pressure	1 atm
-Ionic Strength	0
-Uncertainty	
-Uncertainty Type	
-Comment	"Includes only the selected values summarized from review of other literature"
-	
-Key	Value
-H+	0.068
-Li+	0.146
-Na+	0.085
-K+	-0.009
-Rb+	-0.033
-Cs+	-0.047
-Ag+	0.090
-Tl+	-0.036
-NH4+	-0.008
-Mg+2	0.385
-Ca+2	0.284
-Sr+2	0.261
-Ba+2	0.261
-Mn+2	0.388
-Fe+2	0.412
-Co+2	0.372
-Ni+2	0.379
-Cu+2	0.376
-Zn+2	0.369
-Cd+2	0.321
-Pb+2	0.228
-Al+3	0.744
-Fe+3	0.690
-Cr+3	0.737
-La+3	0.576
-Ce+3	0.570
-Pr+3	0.581
-Nd+3	0.576
-Sm+3	0.599
-Eu+3	0.618
-Gd+3	0.640
-Tb+3	0.647
-Dy+3	0.656
-Ho+3	0.667
-Er+3	0.657
-Tm+3	0.672
-Yb+3	0.665
-Lu+3	0.675
-Th+4	0.852
-F-	0.107
-Cl-	-0.005
-Br-	-0.033
-I-	-0.073
-OH-	0.122
-CN-	-0.024
-N3-	-0.018
-SCN-	0.022
-ClO3-	-0.022
-BrO3-	0.009
-IO3-	0.140
-NO3-	-0.043
-CLO4-	-0.058
-MnO4-	-0.057
-ReO4-	-0.055
-Ag(CN)2-	-0.038
-Au(CN)2-	-0.040
-CO3-2	0.294
-SO3-2	0.282
-SO4-2	0.206
-CrO4-2	0.165
-Fe(CN)6-3	0.129
-Co(CN)6-3	0.146
-Fe(CN)6-4	0.342

pyEQL/database/LICENSE

@@ -1,4 +0,0 @@
-Data included in pyEQL's databases (this directory) is used with
-permission of the authors. If you wish to redistribute these databases
-as part of a derived work, you are advised to contact the authors or 
-publishers for copyright information.

pyEQL/database/dielectric_parameter.tsv

@@ -1,30 +0,0 @@
-Name	dielectric_parameter_water
-Description	Dielectric fit parameter alpha for ions in water
-Unit	
-Reference	A. Zuber, L. Cardozo-Filho, V.F. Cabral, R.F. Checoni, M. Castier, An empirical equation for the dielectric constant in aqueous and nonaqueous electrolyte mixtures, Fluid Phase Equilib. 376 (2014) 116-123.
-Temperature	
-Pressure	
-Ionic Strength	
-Uncertainty	
-Uncertainty Type	
-Comment	"Independent of temperature, pressure, ionic strength"
-	
-Key	Value
-Al+3	2.87
-Ba+2	0.75
-Br-	7.31
-Ca+2	-0.53
-Cl-	6.8
-CLO4-	8.48
-Cs+	2.23
-F-	5.88
-H+	9.55
-I-	7.65
-K+	2.43
-Li+	6.59
-Mg+2	6.69
-Na+	3.62
-NO3-	6.75
-OH-	13.96
-Rb+	2.08
-SO4-2	-0.66

pyEQL/database/diffusion_coefficient.tsv

@@ -1,116 +0,0 @@
-Name	diffusion_coefficient
-Description	Diffusion Coefficient
-Unit	cm ** 2 / s
-Reference	CRC Handbook of Chemistry and Physics, 92nd Ed., pp. 5-77 to 5-79
-Temperature	25 degC
-Pressure	1 atm
-Ionic Strength	0
-Uncertainty	
-Uncertainty Type	
-Comment	For most ions, increases 2-3% per degree above 25C
-	
-Key	Value
-Ag+	0.00001648
-Al+3	0.00000541
-Ba+2	0.00000847
-Be+2	0.00000599
-Ca+2	0.00000792
-Cd+2	0.00000719
-Ce+3	0.0000062
-Co+2	0.00000732
-Cr+3	0.00000595
-Cs+	0.00002056
-Cu+2	0.00000714
-Dy+3	0.00000582
-Er+3	0.00000585
-Eu+3	0.00000602
-Fe+2	0.00000719
-Fe+3	0.00000604
-Gd+3	0.00000597
-H+	0.00009311
-Hg+2	0.00000847
-Ho+3	0.00000589
-K+	0.00001957
-La+3	0.00000619
-Li+	0.00001029
-Mg+2	0.00000706
-Mn+2	0.00000712
-NH4+	0.00001957
-N2H5+	0.00001571
-Na+	0.00001334
-Nd+3	0.00000616
-Ni+2	0.00000661
-Pb+2	0.00000945
-Pr+3	0.00000617
-Ra+2	0.00000889
-Rb+	0.00002072
-Sc+3	0.00000574
-Sm+3	0.00000608
-Sr+2	0.00000791
-Tl+	0.00001989
-Tm+3	0.00000581
-UO2+2	0.00000426
-Y+3	0.0000055
-Yb+3	0.00000582
-Zn+2	0.00000703
-Au(CN)2-	0.00001331
-Au(CN)4-	0.00000959
-B(C6H5)4-	0.00000559
-Br-	0.0000208
-Br3-	0.00001145
-BrO3-	0.00001483
-CN-	0.00002077
-CNO-	0.0000172
-CO3-2	0.00000923
-Cl-	0.00002032
-CLO2-	0.00001385
-CLO3-	0.0000172
-CLO4-	0.00001792
-Co(CN)6-3	0.00000878
-CrO4-2	0.00001132
-F-	0.00001475
-Fe(CN)6-4	0.00000735
-Fe(CN)6-3	0.00000896
-H2ASO4-	0.00000905
-HCO3-	0.00001185
-HF2-	0.00001997
-HPO4-2	0.00000759
-H2PO4-	0.00000959
-H2PO2-	0.00001225
-HS-	0.00001731
-HSO3-	0.00001545
-HSO4-	0.00001385
-H2SbO4-	0.00000825
-I-	0.00002045
-IO3-	0.00001078
-IO4-	0.00001451
-MnO4-	0.00001632
-MoO4-2	0.00001984
-N(CN)2-	0.00001451
-NO2-	0.00001912
-NO3-	0.00001902
-NH2SO3-	0.00001286
-N3-	0.00001837
-OCN-	0.0000172
-OH-	0.00005273
-PF6-	0.00001515
-PO3F-2	0.00000843
-PO4-3	0.00000824
-P2O7-4	0.00000639
-P3O9-3	0.00000742
-P3O10-5	0.00000581
-ReO4-	0.00001462
-SCN-	0.00001758
-SO3-2	0.00000959
-SO4-2	0.00001065
-S2O3-2	0.00001132
-S2O4-2	0.00000885
-S2O6-2	0.00001238
-S2O8-2	0.00001145
-Sb(OH)6-	0.00000849
-SeCN-	0.00001723
-SeO4-	0.00001008
-WO4-2	0.00000919
-HCO2-	0.00001454
-CH3COO-	0.00001089
-C6H5O7-3	0.00000623

pyEQL/database/hydrated_radius.tsv

@@ -1,35 +0,0 @@
-Name	hydrated_radius
-Description	Hydrated radius
-Unit	nm
-Reference	B. Tansel, Significance of thermodynamic and physical characteristics on permeation of ions during membrane separation: Hydrated radius, hydration free energy and viscous effects, Sep. Purif. Technol. 86 (2012) 119-126.
-Temperature	
-Pressure	1 atm
-Ionic Strength	0
-Uncertainty	
-Uncertainty Type	
-Comment	Average of several values reported in the paper
-	
-Key	Value
-Ag+	0.212
-Al+3	0.48
-Ca+2	0.416
-Cd+2	0.426
-Cs+	0.329
-Cu+2	0.419
-Fe+2	0.43
-Fe+3	0.48
-Li+	0.361
-K+	0.2598
-Mg+2	0.407
-NH4+	0.331
-Na+	0.323
-Ni+2	0.404
-Zn+2	0.417
-Br-	0.33
-Cl-	0.3293
-CLO4-	0.338
-F-	0.351
-I-	0.3
-NO3-	0.3375
-PO4-3	0.339
-SO4-2	0.339

pyEQL/database/ionic_radius.tsv

@@ -1,35 +0,0 @@
-Name	ionic_radius
-Description	Ionic (crystal) radius
-Unit	nm
-Reference	B. Tansel, Significance of thermodynamic and physical characteristics on permeation of ions during membrane separation: Hydrated radius, hydration free energy and viscous effects, Sep. Purif. Technol. 86 (2012) 119-126.
-Temperature	
-Pressure	1 atm
-Ionic Strength	0
-Uncertainty	
-Uncertainty Type	
-Comment	Average of several values reported in the paper, weighted by the number of references for each
-	
-Key	Value
-Ag+	0.13
-Al+3	0.0605
-Ca+2	0.1088
-Cd+2	0.105
-Cs+	0.1775
-Cu+2	0.074
-Fe+2	0.0763
-Fe+3	0.064
-Li+	0.0835
-K+	0.1428
-Mg+2	0.0678
-NH4+	0.1523
-Na+	0.0291
-Ni+2	0.0695
-Zn+2	0.074
-Br-	0.189
-Cl-	0.1791
-CLO4-	0.231
-F-	0.124
-I-	0.2127
-NO3-	0.189
-PO4-3	0.233
-SO4-2	0.245

pyEQL/database/partial_molar_volume.tsv

@@ -1,22 +0,0 @@
-Name:	partial_molar_volume
-Description:	Partial molar volume
-Unit:	cm ** 3 / mol
-Reference:	"Durchschlag, H., Zipper, P., 1994. ""Calculation of the Partial Molal Volume of Organic Compounds and Polymers."" Progress in Colloid & Polymer Science (94), 20-39."
-Temperature:	25 degC
-Pressure:	1 atm
-Ionic Strength:	0
-Uncertainty:	
-Uncertainty Type:	
-Comment:	correction factor 5e-4 cm3/g-K
-	
-Key:	Value:
-H+	-3.8
-Na+	-5
-K+	5.2
-NH4+	14.6
-OH-	-0.2
-Cl-	21.6
-Br-	28.5
-I-	40
-HCO3-	27.2
-CO3-2	3.3

pyEQL/database/pitzer_activity.tsv

@@ -1,169 +0,0 @@
-Name:	pitzer_parameters_activity				
-Description:	"Beta0, Beta1, Beta2, and Cphi parameters for calculating activity and osmotic coefficients according to the Pitzer ion interaction model"				
-Unit:	None				
-Reference:	"May, P. M., Rowland, D., Hefter, G., & Kanigsberger, E. (2011).   A Generic and Updatable Pitzer Characterization of Aqueous Binary Electrolyte Solutions at 1 bar and 25C. Journal of Chemical & Engineering Data, 56(12), 5066-5077. doi:10.1021/je2009329"				
-Temperature:	25 degC				
-Pressure:	1 atm				
-Ionic Strength:					
-Uncertainty:					
-Uncertainty Type:					
-Comment:	Copyright 2011 American Chemical Society. Used with permission.				
-					
-Key:	Beta0	Beta1	Beta2	Cphi	Max_C
-Al2(SO4)3	0.822	21.12	-4813	-0.0799	1.1
-NH4Br	0.05921	0.2153	0	-0.00379	7.5
-NH4Cl	0.05094	0.2068	0	-0.00285	7.405
-(NH4)2HPO4	-0.04263	-0.6787	0	0.005162	3.107
-NH4I	0.05671	0.2893	0	-0.00311	7.5
-NH4NO3	-0.01709	0.09198	0	0.000419	20
-NH4ClO4	0.005579	-0.1015	0	-0.00635	2.1
-(NH4)2SO4	0.04211	0.582	0	-0.00134	5.5
-Ba(CH3COO)2	0.2437	1.093	0	-0.03794	3.5
-BaBr2	0.316	1.529	0	-0.01638	2.321
-BaCl2	0.2891	1.217	0	-0.02987	1.8
-BaI2	0.4008	1.881	0	-0.00843	2
-Ba(NO3)2	-0.06464	0.8598	0	0.04046	0.4
-Ba(ClO4)2	0.3309	1.729	0	-0.01883	3.5
-BeSO4	0.3162	2.867	-58.93	0.006172	4
-Cd(NO3)2	0.2833	1.665	0	-0.02426	3
-Cd(NO2)2	-0.02389	-1.511	0	0.007885	5
-Cd(ClO4)2	0.3796	2.113	0	0.02515	1.928
-CdSO4	0.2072	2.564	-45.05	0.01071	3.5
-CsCH3COO	0.1674	0.3399	0	-0.00671	3.5
-CsBr	0.02187	0.07237	0	0.001244	5
-CsCl	0.03745	0.02709	0	-0.00103	11
-CsF	0.1237	0.324	0	-0.00305	3.5
-CsOH	0.1277	0.4146	0	0.00615	5
-CsI	0.02164	0.04627	0	-0.00287	3
-CsNO3	-0.1024	0.01885	0	0.0133	1.5
-CsNO2	0.03058	0.1855	0	-0.00233	7
-Cs2SO4	0.1009	0.9094	0	-0.0087	4
-CaBr2	0.3409	1.928	0	0.01034	6
-CaCl2	0.31	1.618	0	-0.00125	5
-CaI2	0.4301	1.878	0	0.001749	2
-Ca(NO3)2	0.1683	1.65	0	-0.00687	6
-Ca(ClO4)2	0.4638	1.716	0	-0.00706	6
-CeCl3	0.6005	4.91	0	-0.02619	2
-CrCl3	0.7592	4.752	0	-0.05713	1.2
-Cr(NO3)3	0.7161	4.631	0	-0.06384	1.4
-CoBr2	0.4667	1.424	0	-0.01411	5
-CoCl2	0.3765	1.416	0	-0.01886	4
-CoI2	0.5162	1.737	0	-0.00166	4
-Co(NO3)2	0.3103	1.673	0	-0.00736	5
-CuCl2	0.277	1.496	0	-0.02806	3.75
-Cu(NO3)2	0.281	1.683	0	-0.00845	7.84
-CuSO4	0.2281	2.505	-50.28	0.005787	1.42
-EuCl3	0.6048	5.322	0	-0.01999	3.584
-Eu(NO3)3	0.4777	4.706	0	-0.04847	2
-GdCl3	0.6129	5.359	0	-0.0197	3.59
-HI	0.2242	0.4685	0	0.004286	7
-HBr	0.2093	0.3401	0	0.001364	6
-HCl	0.1876	0.2501	0	-0.00154	10.5
-FeCl2	0.3516	1.432	0	-0.0156	2.05
-FeCl3	0.5516	5.488	0	-0.06453	1.8
-LaCl3	0.593	5.277	0	-0.02434	3.894
-La(NO3)3	0.4915	4.99	0	-0.0747	1.555
-Pb(NO3)2	-0.0058	-0.1669	0	-0.00522	2
-Pb(ClO4)2	0.3328	1.658	0	-0.00885	12.58
-LiCH3COO	0.1081	0.257	0	-0.0042	4
-LiBr	0.1842	0.2363	0	0.003333	11
-LiCl	0.1516	0.2975	0	0.003227	8.5
-LiOH	0.04217	-0.08799	0	-0.00065	5
-LiI	0.1903	0.478	0	0.00554	3
-LiNO3	0.1343	0.3339	0	-0.00433	14
-LiNO2	0.1283	0.382	0	-0.00447	9
-LiClO4	0.1966	0.4182	0	0.000636	4.5
-Li2SO4	0.1408	1.184	0	-0.0051	3.165
-Mg(CH3COO)2	0.21	0.9347	0	-0.01332	4
-MgBr2	0.4368	1.73	0	0.002432	5.61
-MgCl2	0.3553	1.644	0	0.005098	5.925
-MgI2	0.4944	1.834	0	0.00733	5.01
-Mg(NO3)2	0.3405	1.672	0	-0.00901	4
-Mg(ClO4)2	0.4956	2.097	0	0.009471	4
-MgSO4	0.2153	3.29	-40.15	0.02794	3.618
-MnCl2	0.3268	1.524	0	-0.02109	5
-MnSO4	0.2139	2.875	-52.32	0.01497	4.966
-NdCl3	0.5877	5.206	0	-0.01969	2.4
-Nd(NO3)3	0.4434	4.915	0	-0.04366	2.4
-NiCl2	0.3692	1.441	0	-0.01109	4
-Ni(NO3)2	0.315	2.195	0	-0.0049	5.51
-NiSO4	0.1594	2.944	-50.94	0.04078	2.5
-HNO3	0.111	0.3805	0	-0.00424	11
-HClO4	0.1813	0.276	0	0.006718	8
-KCH3COO	0.1556	0.3328	0	-0.00533	3.5
-KHCO3	-0.01558	0.07556	0	-0.00469	1
-KBrO3	-0.1132	0.2284	0	-0.01456	0.5
-KBr	0.05517	0.2361	0	-0.00148	5.5
-K2CO3	0.1305	1.606	0	0.00024	8.102
-KClO3	-0.09346	0.2435	0	-0.00176	0.7
-KCl	0.04874	0.2215	0	-0.00098	5
-KCrO4	0.0758	1.177	0	-0.00079	3.5
-KH2PO4	-0.1231	0.09124	0	0.02453	1.8
-K3(Fe(CN)6)	0.3531	3.903	0	-0.05288	1.4
-K4(Fe(CN)6)	0.6452	8.844	0	-0.1768	0.9
-KF	0.08286	0.2004	0	0.000505	10
-K2HPO4	0.043	1.147	0	0.001486	7
-KOH	0.1611	0.137	0	-0.00138	14
-KI	0.06468	0.3112	0	-0.00213	8.98
-KNO3	-0.07733	0.04925	0	0.005547	3.8
-KNO2	0.01526	0.007462	0	-0.00078	5
-K3PO4	0.3422	5.452	0	-0.09154	0.7
-K2SO4	0.07424	0.5188	0	-0.01057	2
-KSCN	0.04159	0.2291	0	-0.00254	5
-PrCl3	0.5879	5.448	0	-0.02067	3.897
-RbCH3COO	0.1626	0.3277	0	-0.00545	3.5
-RbBr	0.03923	0.1542	0	-0.00133	5
-RbCl	0.04469	0.1443	0	-0.00135	7.8
-RbF	0.1171	0.2809	0	-0.01152	3.5
-RbOH	0.1404	0.2992	0	0.003028	6
-RbI	0.03964	0.1484	0	-0.00171	5
-RbNO3	-0.08139	0.001116	0	0.005955	4.5
-RbNO2	0.01726	-0.08644	0	-0.00168	7
-Rb2SO4	0.0832	0.8527	0	-0.00918	1.8
-SmCl3	0.5978	5.279	0	-0.01992	3.641
-ScCl3	0.6682	5.921	0	-0.01982	1.9
-AgNO3	-0.07923	0.008339	0	0.004516	9
-NaCH3COO	0.1382	0.3317	0	-0.00496	4.5
-NaHCO3	-0.05876	0.5535	0	0.008285	1.3
-NaBrO3	-0.02574	0.2161	0	0.00756	2.617
-NaBr	0.1083	0.239	0	-0.00104	9
-Na2CO3	0.04625	1.264	0	0.002943	3.115
-NaClO4	0.0185	0.286	0	0.002029	3.5
-NaCl	0.07831	0.2677	0	0.000864	6.148
-NaCrO4	0.06437	1.544	0	0.009028	4.363
-NaH2PO4	-0.05135	0.05496	0	0.007441	6.5
-NaF	0.02109	0.2183	0	-0.001	1
-NaHCO2	0.07486	0.3067	0	-0.00327	3.5
-Na2HPO4	-0.02266	1.249	0	0.00752	2
-NaOH	0.09226	0.2424	0	0.003343	11.5
-NaI	0.1261	0.317	0	0.00026	9
-NaNO3	0.003614	0.2062	0	-0.0000518	10.75
-NaNO2	0.05978	0.144	0	-0.00422	8
-NaClO4	0.05422	0.2861	0	-0.00098	6
-Na3PO4	0.139	5.419	0	-0.04454	0.8
-NaC3H5O2	0.1799	0.3169	0	-0.01051	3
-Na2SO4	0.01959	1.049	0	0.005416	5
-NaSCN	0.1048	0.3242	0	-0.0018	12
-Na2S2O3	0.06306	1.254	0	0.004673	4
-SrBr2	0.32	1.846	0	0.004825	2.1
-SrCl2	0.2841	1.543	0	-0.00113	4.038
-SrI2	0.3889	2.001	0	0.006908	2
-Sr(NO3)2	0.1022	1.54	0	-0.00732	4
-Sr(ClO4)2	0.4401	1.456	0	-0.01511	6
-Tl(CH3COO)3	0.005551	0.04775	0	-0.00085	6
-Tl(NO3)3	-0.1307	-0.2724	0	-0.00029	0.4
-Tl(NO2)3	-0.6455	-0.1248	0	0.3749	1.4
-Tl(ClO4)3	-0.09359	0.03334	0	-0.01895	0.5
-Th(NO3)4	0.8219	17.68	0	-0.1081	1.4
-UO2Cl2	0.4116	1.663	0	-0.03029	3.174
-UO2(NO3)2	0.4735	1.539	0	-0.03665	2.75
-UO2(ClO4)2	0.6563	1.903	0	0.008736	4
-UO2SO4	0.3168	1.861	-29.69	-0.01658	6
-YCl3	0.6248	5.66	0	-0.01563	4.084
-YNO3	0.6582	4.58	0	-0.1023	1.2
-ZnBr2	0.4122	1.926	0	-0.08267	2
-ZnCl2	0.1872	1.766	0	-0.03625	2.101
-ZnI2	0.526	2.317	0	-0.08623	2.75
-Zn(NO3)2	0.3248	1.864	0	-0.00827	7.103
-Zn(ClO4)2	0.5197	1.731	0	0.008201	4.311
-ZnSO4	0.1991	2.63	-37.74	0.02892	3.5

pyEQL/database/pitzer_volume.tsv

@@ -1,132 +0,0 @@
-Name:	pitzer_parameters_volume					
-Description:	Beta0, Beta1, Beta2, Cphi, and V_o parameters for calculating apparent molar volume according to the Pitzer ion interaction model					
-Unit:	None					
-Reference:	May, P. M., Rowland, D., Hefter, G., & Kanigsberger, E. (2011).   A Generic and Updatable Pitzer Characterization of Aqueous Binary Electrolyte Solutions at 1 bar and 25C. Journal of Chemical & Engineering Data, 56(12), 5066-5077. doi:10.1021/je2009329					
-Temperature:	25 degC					
-Pressure:	1 atm					
-Ionic Strength:						
-Uncertainty:						
-Uncertainty Type:						
-Comment:	Copyright 2011 American Chemical Society. Used with permission.					
-						
-Key:	Beta0	Beta1	Beta2	Cphi	V_o	Max_C
-Al2(SO4)3	0.0001082	-0.0176	25.74	0.000204	-42.4	1.063
-NH4Br	0.0009447	-0.005184	0	-0.0001633	42.6	7.393
-NH4Cl	0.00002909	0.0002654	0	-0.0001633	35.7	7.379
-NH4I	-0.00007129	-0.0004257	0	0.00002706	54.1	7.474
-NH4NO3	0.000001742	0.0002926	0	0.000000424	46.9	20
-NH4ClO4	-0.01683	0.04424	0	0.008742	62	1.868
-NH4SO4	0.0001764	0.002529	0	-0.000001225	49.8	5.48
-BaCl2	-0.0005681	0.003069	0	0.0004377	23.1	1.623
-Ba(NO3)2	-0.001117	0.004513	0	0.005325	45.5	0.35
-Cd(NO3)2	-0.0001585	0.0006157	0	0.00009018	43	3
-CdSO4	-0.00004448	0.002519	0.3064	0.001607	-6	2.024
-CsBr	0.00007096	0.0002329	0	-0.0000052	46	4.731
-CsCl	0.00008174	0.0004061	0	-0.0000076	39.1	10.6
-CsF	0.0002505	-0.0002001	0	-0.00009591	20.1	3.391
-CsI	0.0001948	-0.0002476	0	-0.00007298	57.5	2.18
-CsNO3	-0.003658	0.01879	0	0.002551	35	1.282
-Cs2SO4	0.0007906	0.002396	0	-0.00001989	40	3.816
-CaBr2	0.0004783	-0.002234	0	-0.0001828	31.5	2.595
-CaCl2	0.0003049	-0.003313	0	0.00004089	20	5
-Ca(NO3)2	0.0002862	-0.001099	0	-0.0000281	40.1	5.918
-CoCl2	0.000249	-0.002144	0	-0.0000311	11.6	3.351
-Co(NO3)2	0.0001975	-0.001826	0	-0.00001095	34	3.644
-CuCl2	0.000143	0.001121	0	0.00000571	10	3.603
-Cu(NO3)2	-0.0007436	0.005543	0	0.000328	30.2	2.867
-CuSO4	0.001499	-0.008124	0.2203	-0.0002589	-6	1.418
-EuCl3	-0.00002235	0.001708	0	0.00003954	9.7	3.589
-GdCl3	0.000189	-0.003143	0	-0.0000144	13.5	3.591
-HI	0.0002796	-0.001984	0	-0.00002604	36.2	7.422
-HBr	-0.000004176	-0.000453	0	-0.000000208	24.7	8.493
-HCl	0.00000614	-0.0000571	0	0.000000536	17.8	10.54
-FeCl2	-0.001938	0.008436	0	0.001231	12.2	1.49
-FeCl3	-0.0001865	-0.001726	0	0.00009595	25	2.055
-LaCl3	0.0002055	-0.001878	0	-0.0000158	14.3	3.896
-Pb(NO3)2	-0.001126	0.009357	0	0.0007057	42.5	1.5
-LiCH3COO	0.2285	-0.3546	0	-0.3956	39.8	0.305
-LiBr	0.00005254	-0.00008455	0	-0.00001038	23.8	10.63
-LiCl	0.000112	-0.0002186	0	-0.00001729	16.9	8.288
-LiOH	0.00006931	0.0006398	0	0.00001253	-4.9	4.9
-LiI	-0.0006691	0.001811	0	0.000192	35.3	2.906
-LiNO3	-0.000108	0.0009862	0	0.00001359	28.1	12.87
-LiClO4	0.00001216	-0.00003995	0	0.000002271	43.2	4.423
-Li2SO4	-0.000000641	0.002637	0	0.00006592	12.2	3.125
-Mg(CH3COO)2	0.0006679	-0.0002526	0	0.0001019	60.2	0.573
-MgBr2	0.0003715	-0.001361	0	-0.00005296	28.2	5.431
-MgCl2	0.0001747	-0.0007983	0	-0.0000176	14.4	5.411
-MgI2	-0.0003579	0.0005617	0	0.00007818	51.2	4.965
-Mg(NO3)2	-0.00004771	0.001289	0	0.00004135	36.8	4.132
-Mg(ClO4)2	-0.000456	0.001183	0	0.0001487	67	3.774
-MgSO4	0.001258	-0.003115	0.2054	-0.00035	-7.2	3.045
-MnCl2	0.00008053	0.0002428	0	-0.000072	17.9	4.87
-MnSO4	0.001401	0.008694	-0.6453	-0.0003672	-3.7	4.059
-NdCl3	0.0001766	-0.002234	0	0.00000153	10.1	2.446
-NiCl2	0.000931	-0.009151	0	-0.0002144	11.6	4
-Ni(NO3)2	0.0007228	-0.007909	0	-0.0001295	34	5.473
-NiSO4	-0.0009428	0.008912	-0.1698	0.0008331	-10	2.513
-HNO3	-0.0000467	0.00000804	0	0.00001148	29	10.58
-HClO4	-0.000044	-0.0004062	0	-0.0000041	44.1	7.657
-KCH3COO	-0.0003029	0.001099	0	0.000163	49.7	3
-KHCO3	-0.004118	0.009972	0	0.003723	32.4	0.9927
-Kbr	0.00002655	0.000352	0	0.00001061	33.7	5.15
-K2CO3	0.0003036	0.002002	0	-0.00001749	13.7	7.236
-KClO4	0.007989	-0.01589	0	-0.006796	45.7	0.5209
-KClO4	-0.00005462	0.0007677	0	0.00003875	26.8	4.819
-KCrO4	0.002546	-0.003975	0	-0.002894	37.7	0.5344
-KH2PO4	-0.01553	0.03513	0	0.01295	38.1	1.052
-KF	0.0001522	0.0002207	0	-0.0000107	7.8	9.682
-K2HPO4	0.003047	-0.01139	0	-0.001433	25.7	1.269
-KOH	0.0002293	0.0001509	0	-0.000015	5	14
-KI	0.00005655	-0.0000666	0	-0.0000025	45.2	8.58
-KNO3	-0.0000956	0.001052	0	0.00007173	38	3.699
-KNO2	0.005617	-0.03184	0	-0.001442	35.2	4.627
-K3PO4	-0.004567	0.0232	0	0.004585	-3.6	0.6786
-K2SO4	-0.001179	0.006263	0	0.001473	32	1.05
-KSCN	-0.001886	0.01131	0	0.0004367	44.7	4.843
-PrCl3	0.0002134	-0.002257	0	-0.0000133	10.9	3.891
-RbBr	0.0001276	0.00003187	0	-0.00001925	38.8	4.948
-RbCl	0.0001066	0.0001653	0	-0.0000096	31.9	6.146
-RbF	-0.0006142	0.001394	0	0.0002071	12.9	3.363
-RbOH	0.001028	-0.008523	0	-0.00009437	10.1	5.981
-RbI	0.0005434	-0.0009866	0	-0.0002034	50.3	4.709
-RbNO3	0.00005016	0.001233	0	-0.00006796	43.1	2.906
-Rb2SO4	0.01365	-0.06837	0	-0.00571	42.2	1.605
-SmCl3	0.0001604	-0.002372	0	-0.000002	11.1	3.64
-AgNO3	-0.02262	0.03271	0	0.0494	28.3	0.1822
-NaCH3COO	0.0003546	-0.0006847	0	-0.0000788	39.5	4.283
-NaHCO3	-0.0004402	0.00301	0	0.0004983	22.2	1.1
-NaBrO3	0.0004794	-0.0007243	0	-0.0001687	34.1	2.577
-NaBr	0.00004333	0.0002528	0	-0.0000014	23.5	8.376
-Na2CO3	0.0006672	0.000391	0	-0.0001041	-6.7	2.979
-NaClO4	0.0001057	0.0002797	0	-0.000009971	35.5	3.507
-NaCl	0.0001116	0.00007507	0	-0.0000102	16.6	6.1
-NaCrO4	0.0005722	-0.001298	0	-0.0000595	17.3	4.234
-NaH2PO4	-0.00008958	0.003652	0	0.00009716	27.9	5.557
-NaF	0.002113	-0.003857	0	-0.001535	-2.4	0.9923
-NaHCO2	-0.001729	0.001149	0	0.00009071	24.9	3.458
-Na2HPO4	0.007018	-0.01855	0	-0.006621	5.3	0.5844
-NaOH	0.000218	0.0005212	0	-0.0000107	-5.2	10.88
-NaI	0.000053	-0.00001965	0	-0.000003742	35	8.491
-NaNO3	0.00004904	0.0006559	0	0.000002789	27.8	10.76
-NaClO4	-0.0000745	0.000581	0	0.00003023	42.9	5.914
-Na3PO4	-0.002545	0.01227	0	0.00337	-25	0.6657
-Na2SO4	0.0004129	0.001954	0	-0.000037	11.6	4.694
-NaSCN	0.00002294	0.00132	0	0.00001076	34.5	11.39
-Na2S2O3	0.0004842	-0.002513	0	-0.00004894	31.5	3.877
-SrBr2	0.007083	-0.04615	0	-0.002154	31.2	2.082
-SrCl2	-0.0001879	0.000902	0	0.0003076	17.4	2.5
-SrI2	0.001036	-0.005949	0	-0.0004075	54.2	1.953
-Sr(NO3)2	-0.00003284	0.002829	0	0.00005989	39.8	3.677
-Sr(ClO4)2	0.0001766	0.0009002	0	-0.00000532	70	5.694
-UO2Cl2	-0.001859	0.01198	0	0.0009958	41.5	1.61
-UO2(NO3)2	-0.003023	0.01065	0	0.002546	63.9	0.8309
-UO2SO4	0.006991	-0.01624	0	-0.008161	19.9	1.344
-YCl3	0.0001755	-0.00221	1.12	-0.000008892	12.6	3.948
-YNO3	0.0001792	-0.002485	0	0.000003738	46.2	1.058
-ZnBr2	0.001058	0.0007117	0	-0.0003739	20	1.999
-ZnCl2	0.0001075	0.01003	0	0.0001495	2	2.03
-ZnI2	0.00006577	-0.001513	0	0.00002018	50.8	2.892
-Zn(NO3)2	0.0003004	-0.003951	0	-0.00003529	36.4	5
-Zn(ClO4)2	0.00007755	-0.0009444	0	0.00002731	63	3.493
-ZnSO4	0.00155	-0.004269	0.0965	-0.0004204	-7.6	3.403

pyEQL/database/template.tsv

@@ -1,14 +0,0 @@
-Name:	pitzer_beta0					
-Description:	Beta0 parameters for the Pitzer model					
-Unit:	None					
-Reference:	Beyer and Steiger, 2010 - “Vapor Pressure Measurements of NaHCOO + H2O and KHCOO + H2O from 278 to 308 K and Representation with an Ion Interaction (Pitzer) Model” - J. Chem. Reference Data 2010 (55), 830-838.					
-Temperature:						
-Pressure:	1 atm					
-Ionic Strength:	0					
-Uncertainty:						
-Uncertainty Type:						
-Comment:	(q1,q2,q3,q4,q5,q6)					
-						
-Key:	q1	q2	q3	q4	q5	q6
-KHCO2	1.25149E+000	-1.82903E+003	-1.26523E+001	2.35071E-002	0.00000E+000	-2.54012E-001
-NaHCO2	3.69993E-002	3.89855E+001	0.00000E+000	0.00000E+000	0.00000E+000	0.00000E+000