pychnosz 1.1.1__cp310-cp310-win_amd64.whl

pychnosz/data/extdata/Berman/testing/BA96_refs.csv

@@ -0,0 +1,6 @@
+key,author,year,citation,note,URL
+BA96,"R. G. Berman and L. Ya. Aranovich",1996,"Contrib. Mineral. Petrol. 126, 1-24","added minerals: Fe-cordierite, geikelite, hercynite, iron-a, iron-g, orthocorundum",https://doi.org/10.1007/s004100050233
+BA96.1,"R. G. Berman and L. Ya. Aranovich",1996,"Contrib. Mineral. Petrol. 126, 1-24","revised H, S and Cp + V coefficients: almandine, anthyophyllite, fayalite, ferrosilite",https://doi.org/10.1007/s004100050233
+BA96.2,"R. G. Berman and L. Ya. Aranovich",1996,"Contrib. Mineral. Petrol. 126, 1-24","revised H and S: cordierite, enstatite, hematite, magnetite, rutile",https://doi.org/10.1007/s004100050233
+BA96.3,"R. G. Berman and L. Ya. Aranovich",1996,"Contrib. Mineral. Petrol. 126, 1-24","revised H, S and Cp coefficients: forsterite, pyrope, spinel",https://doi.org/10.1007/s004100050233
+BA96.4,"R. G. Berman and L. Ya. Aranovich",1996,"Contrib. Mineral. Petrol. 126, 1-24","revised H, S and V coefficients: ilmenite, talc",https://doi.org/10.1007/s004100050233

pychnosz/data/extdata/OBIGT/AD.csv

@@ -0,0 +1,25 @@
+name,abbrv,formula,state,ref1,ref2,date,model,E_units,G,H,S,Cp,V,a1.a,a2.b,a3.c,a4.d,c1.e,c2.f,omega.lambda,z.T
+Ar,NA,Ar,aq,AD03.1,NA,2019-02-20,AD,J,NA,NA,NA,NA,NA,-8.5139,11.921,0.0733,NA,NA,NA,NA,NA
+H2S,NA,H2S,aq,AD03.1,NA,2019-02-20,AD,J,NA,NA,NA,NA,NA,-13.4046,13.8582,-0.2029,NA,NA,NA,NA,NA
+O2,NA,O2,aq,AD03.1,NA,2019-02-20,AD,J,NA,NA,NA,NA,NA,-9.754,12.9411,0.026,NA,NA,NA,NA,NA
+N2,NA,N2,aq,AD03.1,NA,2019-02-20,AD,J,NA,NA,NA,NA,NA,-11.538,14.6278,-0.032,NA,NA,NA,NA,NA
+NH3,NA,NH3,aq,AD03.1,NA,2019-02-20,AD,J,NA,NA,NA,NA,NA,-4.7245,4.9782,-0.0955,NA,NA,NA,NA,NA
+H2,NA,H2,aq,AD03.1,NA,2019-02-20,AD,J,NA,NA,NA,NA,NA,-8.4596,10.8301,0.309,NA,NA,NA,NA,NA
+CH4,NA,CH4,aq,AD03.1,NA,2019-02-20,AD,J,NA,NA,NA,NA,NA,-11.8462,14.8615,-0.1131,NA,NA,NA,NA,NA
+CO2,NA,CO2,aq,AD03.1,NA,2019-02-20,AD,J,NA,NA,NA,NA,NA,-8.8321,11.2684,-0.085,NA,NA,NA,NA,NA
+benzene,NA,C6H6,aq,AD03.1,NA,2019-02-20,AD,J,NA,NA,NA,NA,NA,-21.0084,22.934,-1.101,NA,NA,NA,NA,NA
+HCl,NA,HCl,aq,AD03.1,NA,2019-02-20,AD,J,NA,NA,NA,NA,NA,11.642,-7.4244,-0.28,NA,NA,NA,NA,NA
+Ne,NA,Ne,aq,AD03.2,NA,2019-02-21,AD,J,4565,NA,16.74,NA,20.4,1.0014,4.7976,0.5084,NA,NA,NA,NA,NA
+ethylene,NA,C2H4,aq,AD03.2,NA,2019-02-21,AD,J,19450,NA,28.7,NA,45.5,-16.8037,18.846,-0.4499,NA,NA,NA,NA,NA
+ethane,NA,C2H6,aq,AD03.2,NA,2019-02-21,AD,J,-4141,NA,26.75,NA,51.2,-16.3482,20.0628,-0.6091,NA,NA,NA,NA,NA
+propane,NA,C3H8,aq,AD03.2,NA,2019-02-21,AD,J,-2021,NA,33.49,NA,67,-25.3879,28.2616,-1.1471,NA,NA,NA,NA,NA
+butane,NA,C4H10,aq,AD03.2,NA,2019-02-21,AD,J,99,NA,39.66,NA,82.8,-33.8492,36.1457,-1.6849,NA,NA,NA,NA,NA
+benzene,NA,C6H6,aq,AD03.2,NA,2019-02-21,AD,J,32000,NA,35.62,NA,83.5,-39.109,37.5421,-1.9046,NA,NA,NA,NA,NA
+HF,NA,HF,aq,AD03.2,NA,2019-02-21,AD,J,-71662,NA,22.5,NA,12.5,3.0888,-3.5714,0.1008,NA,NA,NA,NA,NA
+SO2,NA,SO2,aq,AD03.2,NA,2019-02-21,AD,J,-71980,NA,38.7,NA,38.5,-14.5223,14.3512,-0.4295,NA,NA,NA,NA,NA
+B(OH)3,NA,B(OH)3,aq,AP14,NA,2019-02-22,AD,J,NA,NA,NA,NA,NA,-4.2561,4.0194,-1.057,NA,NA,NA,NA,NA
+Si(OH)4,NA,Si(OH)4,aq,AP14,NA,2019-02-22,AD,J,NA,NA,NA,NA,NA,0.9285,-0.9409,-1.8933,NA,NA,NA,NA,NA
+As(OH)3,NA,As(OH)3,aq,AP14,NA,2019-02-22,AD,J,NA,NA,NA,NA,NA,-9.903,7.6818,-1.23,NA,NA,NA,NA,NA
+B(OH)3,NA,B(OH)3,gas,AP14,NA,2019-02-22,CGL,cal,-222523.9,NA,66.589,NA,0,46.7734,-9.7E-05,59320,-522.4665,0,0,0,1000
+Si(OH)4,NA,Si(OH)4,gas,AP14,NA,2019-02-22,CGL,cal,-296285.9,NA,82.784,NA,0,22.9685,0.0376434,-444070,0,-2.7782E-05,7.923E-09,3,1000
+As(OH)3,NA,As(OH)3,gas,AP14,NA,2019-02-22,CGL,cal,-143112.8,NA,73.599,NA,0,22.6338,-0.0163623,-372130,0,-1.0194E-05,2.7414E-09,3,1000

pychnosz/data/extdata/OBIGT/Berman_cr.csv

@@ -0,0 +1,93 @@
+name,abbrv,formula,state,ref1,ref2,date,model,E_units,G,H,S,Cp,V,a1.a,a2.b,a3.c,a4.d,c1.e,c2.f,omega.lambda,z.T
+akermanite,Ak,Ca2MgSi2O7,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+albite,Ab,NaAlSi3O8,cr,Ber88,SHD91,2017-10-03,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"albite,high",hAb,NaAlSi3O8,cr,Ber88,SHD91,2017-10-03,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"albite,low",lAb,NaAlSi3O8,cr,Ber88,SHD91,2017-10-03,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+almandine,Alm,Si3Fe3Al2O12,cr,Ber88,Ber90.1,2017-10-03,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+andalusite,And,Al2SiO5,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+anorthite,An,Al2CaSi2O8,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+anthophyllite,Ath,Mg7Si8O24H2,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+antigorite,Atg,Mg48Si34O99H62O48,cr,Ber88,BDat17.1,2017-10-09,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+brucite,Brc,MgO2H2,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+Ca-Al-pyroxene,CTs,CaAl2SiO6,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+calcite,Cal,CaCO3,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+chrysotile,Ctl,Mg3Si2O9H4,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+clinochlore,Chl,Mg5Al2Si3O18H8,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+coesite,Coe,SiO2,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+cordierite,Crd,Mg2Al4Si5O18,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+corundum,Crn,Al2O3,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"cristobalite,alpha",aCrs,SiO2,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"cristobalite,beta",bCrs,SiO2,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+diaspore,Dsp,AlO2H,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+diopside,Di,MgCaSi2O6,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+dolomite,Dol,MgCaC2O6,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"enstatite,clino",Cen,MgSiO3,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+enstatite,En,MgSiO3,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"enstatite,proto",pEn,MgSiO3,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+fayalite,Fa,Fe2SiO4,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+ferrosilite,Fs,SiFeO3,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+forsterite,Fo,Mg2SiO4,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+gehlenite,Gh,Al2Ca2SiO7,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+grossular,Grs,Ca3Al2Si3O12,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+hematite,Hem,Fe2O3,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+ilmenite,Ilm,FeTiO3,cr,Ber88,Ber90.1,2017-10-03,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+jadeite,Jd,NaAlSi2O6,cr,Ber88,SHD91,2017-10-03,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+kaolinite,Kln,Al2Si2O9H4,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+kyanite,Ky,Al2SiO5,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+lawsonite,Lws,CaAl2Si2O10H4,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+lime,Lm,CaO,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+magnesite,Mgs,MgCO3,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+magnetite,Mag,Fe3O4,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+margarite,Mrg,CaAl4Si2O12H2,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+meionite,Mei,Ca4Al6Si6O27C,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+merwinite,Mw,Ca3MgSi2O8,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+monticellite,Mtc,CaMgSiO4,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+muscovite,Ms,KAl3Si3O12H2,cr,Ber88,SHD91,2017-10-03,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+paragonite,Pg,NaAl3Si3O12H2,cr,Ber88,SHD91,2017-10-03,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+periclase,Per,MgO,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+phlogopite,Phl,KMg3AlSi3O12H2,cr,Ber88,SHD91.1,2017-10-03,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+K-feldspar,Kfs,KAlSi3O8,cr,Ber88,SHD91,2017-10-03,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"K-feldspar,high",Sa,KAlSi3O8,cr,Ber88,SHD91,2017-10-03,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"K-feldspar,low",Mc,KAlSi3O8,cr,Ber88,SHD91,2017-10-03,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+prehnite,Prh,Ca2Al2Si3O12H2,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+pyrope,Prp,Mg3Al2Si3O12,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+pyrophyllite,Prl,Al2Si4O12H2,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+quartz,Qz,SiO2,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"quartz,beta",bQz,SiO2,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+rutile,Rt,TiO2,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+sillimanite,Sil,Al2SiO5,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+sphene,Spn,CaTiSiO5,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+spinel,Spl,MgAl2O4,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+talc,Tlc,Mg3Si4O12H2,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+tremolite,Tr,Ca2Mg5Si8O24H2,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"tridymite,high",hTrd,SiO2,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"tridymite,low",lTrd,SiO2,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+wollastonite,Wo,CaSiO3,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+pseudowollastonite,pWo,CaSiO3,cr,Ber88,NA,2017-10-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+annite,Ann,Si3Fe3AlKH2O12,cr,Ber90,SHD91.2,2017-10-03,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+fluormuscovite,Flms,KAl3Si3O10F2,cr,ZS92,NA,2017-10-03,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+fluorphlogopite,Fphl,KMg3AlSi3O10F2,cr,ZS92,NA,2017-10-03,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+fluorannite,Flann,Si3Fe3AlKO10F2,cr,ZS92,NA,2017-10-03,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+fluortremolite,Fltr,Ca2Mg5Si8O22F2,cr,ZS92,NA,2017-10-03,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+fluorapatite,Flap,Ca5P3O12F,cr,ZS92,NA,2017-10-03,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+hydroxyapatite,Hyap,Ca5P3O13H,cr,ZS92,NA,2017-10-03,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+chlorapatite,Clap,Ca5P3O12Cl,cr,ZS92,NA,2017-10-03,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+fluortalc,Fltlc,Mg3Si4O10F2,cr,ZS92,NA,2017-10-03,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+chlorphlogopite,Cphl,KMg3AlSi3O10Cl2,cr,ZS92,NA,2017-10-03,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+chlorannite,Clann,Si3Fe3AlKO10Cl2,cr,ZS92,NA,2017-10-03,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+glaucophane,Gln,Na2Al2Mg3Si8O24H2,cr,Eva90,JUN92,2017-10-03,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+pumpellyite,Pmp,Ca4Al5MgSi6O28H7,cr,Eva90,JUN92,2017-10-03,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+aragonite,Arg,CaCO3,cr,FDM+14.1,NA,2017-10-08,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+hedenbergite,Hd,CaFeSi2O6,cr,DS10,NA,2017-11-08,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+andradite,Adr,Ca3Fe2Si3O12,cr,DS10,NA,2017-11-08,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+ferro-actinolite,Fac,Ca2Fe5Si8O22(OH)2,cr,DS10,NA,2017-11-08,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+grunerite,Gru,Fe7Si8O22(OH)2,cr,DS10,NA,2017-11-08,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+ilvaite,Ilv,CaFe2FeSi2O7O(OH),cr,DS10,NA,2017-11-08,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+sudoite,Sud,Mg2Al4Si3O10(OH)8,cr,VGT92,NA,2019-03-06,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+daphnite,Dph,Fe5Al2Si3O10(OH)8,cr,VPT01,NA,2019-03-06,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+Mg-amesite,Mg-Ame,Mg4Al4Si2O10(OH)8,cr,VPT01,NA,2019-03-06,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+Fe-amesite,Fe-Ame,Fe4Al4Si2O10(OH)8,cr,VPV05,NA,2019-03-06,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+zoisite,Zo,Ca2Al3Si3O13H,cr,Got04,NA,2019-08-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+clinozoisite,Czo,Ca2Al3Si3O13H,cr,Got04,NA,2019-08-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+epidote,Ep,Ca2FeAl2Si3O12(OH),cr,Got04,NA,2019-08-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+orthoepidote,oEp,Ca2FeAl2Si3O12(OH),cr,Got04,NA,2019-08-01,Berman,J,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA

pychnosz/data/extdata/OBIGT/DEW.csv

@@ -0,0 +1,211 @@
+name,abbrv,formula,state,ref1,ref2,date,model,E_units,G,H,S,Cp,V,a1.a,a2.b,a3.c,a4.d,c1.e,c2.f,omega.lambda,z.T
+acetate,ACETATE,CH3COO-,aq,Sho95,DEW17.7,2017-09-26,DEW,cal,-88270,-116180,20.6,6.31,40.55,10.018,2.809,6.72,-2.8941,26.3,-3.86,1.3182,-1
+"acetic acid",ACETIC-ACID,CH3COOH,aq,PS01,DEW17.01,2017-09-26,DEW,cal,-94760,-116100,42.7,40.26,51.57,11.5,5.5,1.67,-2.87,44.9,-2.63,-0.076,0
+Ag+,Ag(+),Ag+,aq,SH88,DEW17.2,2017-09-26,DEW,cal,18427,25275,17.54,7.9,-0.8,2.0464,-4.3877,7.0182,-2.5976,12.7863,-1.4254,0.216,1
+AgCl,AgCl(0),AgCl,aq,SSH97,DEW17.6,2017-09-26,DEW,cal,-17450,-18270,34.1,6.7,27,6.7458,2.1396,3.0441,-2.8675,9.7432,-1.6698,-0.038,0
+AgCl2-,AgCl2(-),AgCl2-,aq,SSH97,DEW17.6,2017-09-26,DEW,cal,-51560,-61130,47,7.7,53,12.2533,7.3832,-1.3527,-3.0842,19.1265,-1.4661,0.9169,-1
+Al+3,Al(+3),Al+3,aq,SSWS97,DEW17.05,2017-09-26,DEW,cal,-115609,-126834,-77.7,-31.04,-44.4,-3.3802,-17.0071,14.5185,-2.0758,10.7,-8.06,2.753,3
+AlO2-,AlO2(-),AlO2-,aq,PH95,SHA14.1,2017-09-26,DEW,cal,-198693,-222125,-7.22,-9.55,10,4.298,2.4976,-1.8258,-2.8823,19.1,-6.2,1.7418,-1
+AlO2(SiO2)-,AlO2(SiO2)-,AlO2(SiO2)-,aq,HS19,DEW19.1,2020-06-30,DEW,cal,-403500,-440456,4,32,34.8,9.0313,4.3155,1.2196,-2.9574,39.3711,3.4838,1.5685,-1
+Ar,Ar(0),Ar,aq,SHS89,DEW17.04,2017-09-26,DEW,cal,3900,-2870,14.3,53.35,31.71,6.0003,6.8698,3.0499,-3.063,35.6471,7.316,-0.3073,0
+Au+,Au(+),Au+,aq,SH88,DEW17.2,2017-09-26,DEW,cal,39000,47580,24.5,0.6,11.1,3.3303,0.4233,5.6044,-2.7965,8.1767,-2.9123,0.18,1
+Au+3,Au(+3),Au+3,aq,SH88,DEW17.2,2017-09-26,DEW,cal,103600,96930,-57.9,-36.2,-41.3,-8.0309,-2.3071,13.7983,-2.6836,7.5724,-10.4085,2.4554,3
+Ba+2,Ba(+2),Ba+2,aq,SH88,DEW17.2,2017-09-26,DEW,cal,-134030,-128500,2.3,-12.29,-12.6,1.1011,-8.7609,8.1491,-2.4168,8.0413,-5.5371,0.985,2
+BaCl+,BaCl(+),BaCl+,aq,SSH97,DEW17.5,2017-09-26,DEW,cal,-164730,-165770,22.5,6.18,16.8,4.8851,0.368,4.5296,-2.7942,11.7469,-1.7758,0.2126,1
+Be+2,Be(+2),Be+2,aq,SH88,DEW17.2,2017-09-26,DEW,cal,-83500,-91500,-55.7,-1.3,-25.4,-1.4187,-9.4791,9.9786,-2.3871,22.9154,-3.2995,1.9007,2
+benzene,BENZENE,C6H6,aq,PS01,DEW17.3,2017-09-26,DEW,cal,32000,12230,35.7,89.12,83,17.5199,12.3976,-5.5571,-3.2915,66.9,9.8,-0.25,0
+"bG,NaCl",extended_term_parameter,Z0,aq,OH90,DEW19,2020-06-30,DEW,cal,175,NA,22,12.72,1.83,0.3006,-2.0255,-2.9092,2.0302,-1.5,5.33,-0.368,0
+BO(OH),BO(OH)(0),BO(OH),aq,SH88,SHA14.2,2017-09-26,DEW,cal,-174854,-188505,24,3.76,20.49,5.54,1.38,3.1,-2.84,25,-10,0.1,0
+BO2-,BO2(-),BO2-,aq,SH88,SHA14.4,2017-09-26,DEW,cal,-162240,-184600,-8.9,-9,-16.02,-0.855,-2.596,3.7,-2.6717,17.102,-4.8679,1.7595,-1
+CaHCO3+,Ca(HCO3)(+),Ca(HCO3)+,aq,HS19,DEW19.1,2020-06-30,DEW,cal,-273830,-294350,26,51,30,7.4225,2.7838,2.5039,-2.8941,37.511,7.3541,0.158,1
+CaHCOO+,Ca(HCOO)+,Ca(HCOO)+,aq,HS19,DEW19.1,2020-06-30,DEW,cal,-217930,-232236,11,68,17.5,5.1038,0.5762,4.355,-2.8028,49.5668,10.817,0.3851,1
+CaHSiO3+,Ca(HSiO3)+,Ca(HSiO3)+,aq,HS19,DEW19.1,2020-06-30,DEW,cal,-376299,-397525,16.8,72,36,8.6546,3.9569,1.5203,-2.9426,51.1018,11.6318,0.2973,1
+CaOH+,Ca(OH)(+),Ca(OH)+,aq,SSWS97,DEW17.3,2017-09-26,DEW,cal,-171300,-179600,6.7,1.4,1.9,2.1051,-2.2789,6.749,-2.6848,11.1292,-2.7494,0.4496,1
+Ca+2,Ca+2,Ca+2,aq,FDM+14,DEW19.5,2020-06-30,DEW,cal,-132120,-129800,-13.5,-7.51,-18.45,-0.245,-7.252,5,-2.48,9,-2.52,1.2366,2
+CaCl+,CaCl(+),CaCl+,aq,SSH97,DEW17.5,2017-09-26,DEW,cal,-163100,-168607,4.5,17.5,11.3,3.9392,-0.5326,5.2847,-2.757,20.7297,0.5302,0.4675,1
+CaCl2,CaCl2(0),CaCl2,aq,SSH97,DEW17.5,2017-09-26,DEW,cal,-194000,-211060,6,29.77,33.3,7.9694,3.3045,2.0673,-2.9156,23.2636,3.0296,-0.038,0
+CaCO3,CaCO3(0),CaCO3,aq,FDM+14,DEW17.03,2017-09-26,DEW,cal,-262750,-287390,0,14.01,21.53,6.66,2.05,3.12,-2.86,32.8,-0.18,2,0
+CaOH+,CaO,CaO,aq,HS19,DEW19.3,2020-06-30,DEW,cal,-152800,NA,16,12,5.5,2.5406,-1.8642,6.4013,-2.7019,12.2781,-0.5902,-0.1,0
+CaSO4,CaSO4(0),CaSO4,aq,SSWS97,DEW17.10,2017-09-26,DEW,cal,-312930,-345900,5,-25,4.7,2.415,-1.9839,6.5015,-2.697,-8.835,-8.1271,-0.038,0
+Cd+2,Cd(+2),Cd+2,aq,SH88,DEW17.2,2017-09-26,DEW,cal,-18560,-18140,-17.4,-3.5,-15.6,0.542,-8.9202,8.5551,-2.4102,15.6572,-3.7476,1.2528,2
+Ce+3,Ce(+3),Ce+3,aq,SH88,DEW17.2,2017-09-26,DEW,cal,-161600,-167400,-49,-38.6,-39.8,-7.6866,-2.5596,13.5864,-2.6732,4.0444,-10.8973,2.2251,3
+Ce+4,Ce(+4),Ce+4,aq,SH88,DEW17.2,2017-09-26,DEW,cal,-121300,-137700,-100.1,0.1,-53.3,-15.6355,11.3069,17.61,-3.2464,40.2794,-3.0143,3.6964,4
+CN-,CN(-),CN-,aq,SH88,DEW17.2,2017-09-26,DEW,cal,41200,36000,22.5,-32.7,24.2,5.0522,6.8757,3.7084,-3.0632,-1.1133,-9.6957,1.29,-1
+CO,CO(0),CO,aq,SM93,DEW17.3,2017-09-26,DEW,cal,-28682,-28910,24.53,64.5,33.8,7.9065,3.2446,2.1175,-2.9131,40.545,10.1041,-0.3715,0
+Co+2,Co(+2),Co+2,aq,SH88,DEW17.2,2017-09-26,DEW,cal,-13000,-13900,-27,-7.8,-24.4,-1.4299,-9.4823,9.9867,-2.387,15.2015,-4.6235,1.4769,2
+Co+3,Co(+3),Co+3,aq,SH88,DEW17.2,2017-09-26,DEW,cal,32000,22000,-73,-32.3,-43.9,-8.7545,-1.7764,14.2439,-2.7056,12.2499,-9.614,2.715,3
+CO2,CO2(0),CO2,aq,FDM+14,DEW17.03,2017-09-26,DEW,cal,-92250,-98900,28.1,52.05,32.78,7.79,3.14,2.21,-2.91,37,6.5,-0.2,0
+CO3-2,CO3(-2),CO3-2,aq,FDM+14,DEW17.03,2017-09-26,DEW,cal,-126191,-161385,-12.95,-65.02,-5.01,5.8,5,-2,-10.8,18,-20,4.6,-2
+Cr+2,Cr(+2),Cr+2,aq,SSWS97,DEW17.2,2017-09-26,DEW,cal,-39400,-39000,-24.2,-7.3,-22.3,-0.9561,-9.3472,9.6428,-2.3926,15.0507,-4.5216,1.4287,2
+Cr+3,Cr(+3),Cr+3,aq,SSWS97,DEW17.2,2017-09-26,DEW,cal,-49300,-60000,-77,-22.9,-40,-7.2905,-2.8502,13.3424,-2.6612,17.9917,-7.6993,2.7403,3
+Cr2O7-2,Cr2O7(-2),Cr2O7-2,aq,SSWS97,DEW17.2,2017-09-26,DEW,cal,-311000,-356200,62.6,-20.4,73,16.7844,11.6973,-4.9699,-3.2626,15.0819,-7.19,2.2654,-2
+CrO4-2,CrO4(-2),CrO4-2,aq,SSWS97,DEW17.2,2017-09-26,DEW,cal,-174800,-210930,13.8,-62.6,19.8,10.0393,-6.2133,1.6595,-2.5221,-2.8604,-15.7863,3.0024,-2
+Cu+,Cu(+),Cu+,aq,SSWS97,DEW17.2,2017-09-26,DEW,cal,11950,17132,9.7,13.7,-8,1.2958,-7.2006,7.8447,-2.4813,17.283,-0.2439,0.3351,1
+Cu+2,Cu(+2),Cu+2,aq,SSWS97,DEW17.2,2017-09-26,DEW,cal,15675,15700,-23.2,-2.23,-24.6,-1.4776,-9.4959,10.0214,-2.3864,18.4677,-3.4883,1.4769,2
+diglycine,DIGLYCINE,C4H8O3N2,aq,LRB09,DEW17.11,2017-09-26,DEW,cal,-119100,NA,74.3,27.86,76.31,15.81,10.77,-4.19,-3.22,41.1,-11.5,-1.1,0
+diketopiperazine,DKP,C4H6O2N2,aq,LRB09,DEW17.12,2017-09-26,DEW,cal,-62500,NA,63,17,76.73,16.1966,11.1376,-4.5007,-3.2394,11.7979,0.4283,-0.4702,0
+Dy+3,Dy(+3),Dy+3,aq,SSWS97,DEW17.2,2017-09-26,DEW,cal,-158700,-166500,-55.2,-31.7,-40.7,-7.8787,-2.4188,13.7046,-2.679,9.5076,-9.4919,2.3792,3
+Er+3,Er(+3),Er+3,aq,SSWS97,DEW17.2,2017-09-26,DEW,cal,-159900,-168500,-58.3,-34.3,-43,-8.699,-1.8171,14.2097,-2.7039,8.2815,-10.0215,2.4115,3
+ethane,ETHANE,C2H6,aq,SH90,DEW17.3,2017-09-26,DEW,cal,-3886,-24650,26.81,88.3,51.2,11.2692,6.4463,-0.567,-3.0455,54.1755,14.9521,-0.406,0
+ethanol,ETHANOL,C2H5OH,aq,PS01,DEW17.02,2017-09-26,DEW,cal,-43330,-68650,35.9,62.2,55.08,9.2333,9.9581,12.1445,-3.1906,60.0175,0.1507,-0.2037,0
+ethylene,ETHYLENE,C2H4,aq,PS01,DEW17.3,2017-09-26,DEW,cal,19450,8570,28.6,66.9,46,10.3054,5.5286,0.2024,-3.0076,42.5181,10.5929,-0.31,0
+Eu+2,Eu(+2),Eu+2,aq,SSWS97,DEW17.2,2017-09-26,DEW,cal,-129200,-126150,-2.4,-11.4,-15.3,0.5193,-8.9267,8.5716,-2.41,9.5541,-5.3568,1.0929,2
+Eu+3,Eu(+3),Eu+3,aq,SSWS97,DEW17.2,2017-09-26,DEW,cal,-137300,-144700,-53,-36.6,-41.3,-8.1578,-2.214,13.8765,-2.6875,6.0547,-10.49,2.3161,3
+Fe(Ac)+,Fe(CH3COO)(+),Fe(CH3COO)+,aq,SSWS97,DEW17.6,2017-09-26,DEW,cal,-111900,-139060,-1.5,81.2,25.2,6.6906,2.087,3.0882,-2.8653,59.0576,13.5058,0.5756,1
+Fe(Ac)2,Fe(CH3COO)2(0),Fe(CH3COO)2,aq,SSWS97,DEW17.6,2017-09-26,DEW,cal,-201800,-259100,11.53,184.2,66.9,14.4948,9.5174,-3.1421,-3.1724,113.7691,34.4869,-0.038,0
+FeHCOO+,Fe(HCOO)+,Fe(HCOO)+,aq,HS19,DEW19.1,2020-06-30,DEW,cal,-111800,-112263,59,30,27,6.6001,2.0008,3.1604,-2.8617,20.5995,3.0764,-0.3418,1
+FeHSiO3+,Fe(HSiO3)+,Fe(HSiO3)+,aq,HS19,DEW19.1,2020-06-30,DEW,cal,-277500,-298539,14,77,38.2,9.1022,4.383,1.163,-2.9602,54.4228,12.6503,0.3397,1
+FeOH+,FeOH(+),FeOH+,aq,SSWS97,DEW17.13,2017-09-26,DEW,cal,-65850,NA,-10,15,2,2.2461,-2.1446,6.6364,-2.6903,21.4354,0.0209,0.7031,1
+Fe+2,Fe(+2),Fe+2,aq,SSWS97,DEW19.6,2020-07-11,DEW,cal,-21870,NA,-25.3,-7.9,-22.2,-1.0416,-9.0072,9.6653,-2.4066,14.9634,-4.6439,1.4574,2
+Fe+3,Fe(+3),Fe+3,aq,SSWS97,DEW17.2,2017-09-26,DEW,cal,-4120,-11850,-66.3,-18.6,-37,-6.3271,-3.5568,12.7493,-2.632,19.0461,-6.8234,2.5812,3
+FeCl+,FeCl(+),FeCl+,aq,SSWS97,DEW17.6,2017-09-26,DEW,cal,-53030,-61260,-10.06,20.57,5.8,2.9827,-1.4433,6.0483,-2.7193,24.6737,1.1555,0.7003,1
+FeCl+2,FeCl(++),FeCl+2,aq,TDDZ00,DEW17.14,2017-09-26,DEW,cal,-37573,-50875,-28.7,3.3,-19,-1.4537,-5.6672,9.59,-2.5447,21.8511,-2.3624,1.4925,2
+FeCl2,FeCl2(0),FeCl2,aq,SSWS97,DEW17.6,2017-09-26,DEW,cal,-73480,-78490,43,28.14,28.4,7.0177,2.3984,2.827,-2.8782,22.3083,2.6975,-0.038,0
+FeCl2+,FeCl2(+),FeCl2+,aq,LEB+06,DEW17.15,2017-09-26,DEW,cal,-69429,-91824,-2,5.1,8,3.3538,-1.09,5.7521,-2.7339,14.5275,-1.9957,0.5831,1
+FeCl3,FeCl3(0),FeCl3,aq,LEB+06,DEW17.16,2017-09-26,DEW,cal,-99307,-134400,18,-28,37.4,8.9278,4.217,1.3022,-2.9533,-7.4793,-8.7382,0.3,0
+FeCl4-,FeCl4(-),FeCl4-,aq,LEB+06,DEW17.15,2017-09-26,DEW,cal,-127917,-180057,26,-95.9,55.8,12.9503,8.0468,-1.9091,-3.1117,-38.6469,-22.5694,1.2363,-1
+FeO,FeO(0),FeO,aq,SSWS97,DEW17.13,2017-09-26,DEW,cal,-50720,NA,-10,0,3,2.2469,-2.1438,6.6357,-2.6904,8.9305,-3.0346,0.3,0
+formate,FORMATE,HCOO-,aq,SH90,DEW17.101,2017-09-26,DEW,cal,-83862,-101680,21.7,-20.18,26.16,5.2684,7.6836,3.4706,-3.0966,17,-12.4,1.3003,-1
+"formic acid",FORMIC-ACID,HCOOH,aq,SH90,DEW17.3,2017-09-26,DEW,cal,-88982,-101680,38.9,19.02,34.69,8.0925,3.4217,1.9691,-2.9205,22.1924,-3.1196,-0.3442,0
+Ga+3,Ga(+3),Ga+3,aq,SSWS97,DEW17.2,2017-09-26,DEW,cal,-38000,-50600,-79,-30.8,-44.9,-9.1126,-1.5137,14.4643,-2.7164,13.2449,-9.3085,2.7276,3
+Gd+3,Gd(+3),Gd+3,aq,SSWS97,DEW17.2,2017-09-26,DEW,cal,-158600,-164200,-49.2,-35.9,-40.4,-7.8159,-2.4648,13.666,-2.6771,6.5607,-10.3474,2.3265,3
+glutamate,GLUTAMATE,C5H8NO4-,aq,ZW07,DEW17.17,2017-09-26,DEW,cal,-167258,NA,44.4,11.11,79.71,17.46,12.34,-5.51,-3.29,50,-14.8,0.9569,-1
+"glutamic acid",GLUTAMIC,C5H9NO4,aq,HDM+94,DEW17.18,2017-09-26,DEW,cal,-173050,-234820,61.2,44.02,90.16,19.3,13.3,-4.4,-3.33,69.2,-9.22,0.7,0
+glutamine,GLUTAMINE,C5H10N2O3,aq,SH90,DEW17.3,2017-09-26,DEW,cal,-126280,-191860,62.41,43.78,93.72,19.8075,14.5756,-7.3834,-3.3816,33.4802,5.8825,0.18,0
+H-glutarate,GLUTARATE-,C5H7O4-,aq,SH90,DEW17.3,2017-09-26,DEW,cal,-170860,-223570,52.9,20.11,85.91,18.6019,13.4277,-6.4209,-3.3341,25.5789,1.0616,0.8279,-1
+"glutaric acid",GLUTARIC-ACID,C5H8O4,aq,SH90,DEW17.3,2017-09-26,DEW,cal,-176780,-223440,73.2,64.11,99.09,20.7169,15.4414,-8.1094,-3.4173,42.815,10.0236,-0.1,0
+glycinate,GLYCINATE,C2H4NO2-,aq,AH97b,DEW19.4,2020-06-30,DEW,cal,-77610,-114190,30.07,-6.6,43.77,10.584,5.7938,-0.02,-3.0185,13.1119,-4.379,1.1737,-1
+glycine,GLYCINE,C2H5NO2,aq,PS01,DEW17.01,2017-09-26,DEW,cal,-90950,-124780,39.3,9.49,43.29,10.8,1.3,7.6,-3.5,28,-8.2,0.2,0
+glycolate,GLYCOLATE,C2H3O3-,aq,SH90,DEW17.3,2017-09-26,DEW,cal,-121170,-154700,26.2,6.5,39.85,6.7382,13.1933,1.8519,-3.3244,21.339,-1.7106,1.2334,-1
+"glycolic acid",GLYCOLIC-ACID,C2H4O3,aq,SH90,DEW17.3,2017-09-26,DEW,cal,-126400,-154890,43.1,45.5,51.75,11.4261,6.5956,-0.6923,-3.0517,30.0532,6.2338,-0.3017,0
+H-succinate,H-SUCCINATE,C4H5O4-,aq,SH90,DEW17.3,2017-09-26,DEW,cal,-172060,-217350,45.2,9.3,69.99,15.5663,10.5375,-3.9975,-3.2146,20.3194,-1.1402,0.9446,-1
+H2AsO3-,H2AsO3(-),H2AsO3-,aq,SSWS97,DEW17.3,2017-09-26,DEW,cal,-140330,-170840,26.4,-2.9,26.4,7.2377,2.6079,2.6514,-2.8868,15.8033,-3.6254,1.2305,-1
+H2AsO4-,H2AsO4(-),H2AsO4-,aq,SSWS97,DEW17.3,2017-09-26,DEW,cal,-180010,-217390,28,-0.7,35.1,8.9154,4.2052,1.3121,-2.9528,16.8623,-3.1772,1.2055,-1
+H2CO3,H2CO3,H2CO3,aq,HS19,DEW19.1,2020-06-30,DEW,cal,-145400,-164229,43,86.5,46,10.3102,5.5332,0.1986,-3.0077,54.0971,14.5854,-0.3,0
+H2P2O7-2,H2P2O7(-2),H2P2O7-2,aq,SSWS97,DEW17.3,2017-09-26,DEW,cal,-480400,-544600,39,-20.3,52.4,12.9546,8.0509,-1.9125,-3.1118,18.424,-7.1696,2.6218,-2
+H2PO4-,H2PO4(-),H2PO4-,aq,SSWS97,DEW17.3,2017-09-26,DEW,cal,-270140,-309820,21.6,-7,31.3,8.2228,3.5458,1.865,-2.9256,14.0436,-4.4605,1.3003,-1
+H2S,H2S(0),H2S,aq,SHS89,DEW17.3,2017-09-26,DEW,cal,-6673,-9001,30,42.83,34.92,8.2543,3.5757,1.8399,-2.9268,30.3482,5.6905,-0.1,0
+H2VO4-,H2VO4(-),H2VO4-,aq,SSWS97,DEW17.3,2017-09-26,DEW,cal,-244000,-280600,29,0.6,29,7.7232,3.0701,2.2638,-2.9059,17.4795,-2.9124,1.1898,-1
+H3P2O7-,H3P2O7(-),H3P2O7-,aq,SSWS97,DEW17.3,2017-09-26,DEW,cal,-483600,-544100,51,29.6,51,11.8361,6.986,-1.0196,-3.0678,31.4073,2.9948,0.8568,-1
+H3PO4,H3PO4(0),H3PO4,aq,SHS89,DEW17.3,2017-09-26,DEW,cal,-273100,-307920,38,23.6,48.1,10.7564,5.958,-0.1576,-3.0253,17.9708,1.7727,-0.22,0
+HAlO2,HAlO2(0),HAlO2,aq,PH95,SHA14.1,2017-09-26,DEW,cal,-207500,-230730,-6.5,47.5,13,4.285,-0.2034,5.0087,-2.7706,38.6109,6.6412,0.5,0
+HAsO4-2,HAsO4(-2),HAsO4-2,aq,SSWS97,DEW17.3,2017-09-26,DEW,cal,-170790,-216620,-0.4,-51.8,13,5.5895,1.0386,3.9672,-2.8219,5.471,-13.5863,3.2197,-2
+HCl,HCl(0),HCl,aq,RS87,DEW17.19,2017-09-26,DEW,cal,-30410,-42054,3.2,39,15,4.3376,-0.1533,4.9666,-2.7727,27.1804,4.9097,-0.2,0
+HCN,HCN(0),HCN,aq,SM93,DEW17.3,2017-09-26,DEW,cal,28600,26500,29.8,40.7,45.9,10.3813,5.6008,0.1418,-3.0105,28.9939,5.256,-0.1113,0
+HCO3-,HCO3(-),HCO3-,aq,FDM+14,DEW17.03,2017-09-26,DEW,cal,-140282,-164898,23.53,-8.45,24.23,7.65,0.92,0.6,-2.82,11,-3.8,1.2733,-1
+HCrO4-,HCrO4(-),HCrO4-,aq,SSWS97,DEW17.3,2017-09-26,DEW,cal,-182800,-209900,44,20.4,44,10.5272,5.7398,0.0253,-3.0163,26.9871,1.121,0.9622,-1
+hexane,HEXANE,C6H14,aq,PS01,DEW17.3,2017-09-26,DEW,cal,4420,-47400,53.2,159.07,114,23.4349,18.0292,-10.2792,-3.5243,108,23,-0.47,0
+HFeO2-,HFeO2(-),HFeO2-,aq,SSWS97,DEW17.13,2017-09-26,DEW,cal,-94400,NA,-15,22,20,6.295,1.7103,3.404,-2.8497,36.1614,1.4468,1.8563,-1
+Hg+2,Hg(+2),Hg+2,aq,SSWS97,DEW17.2,2017-09-26,DEW,cal,39360,40670,-8.68,2.2,-19.6,-0.4745,-9.2099,9.293,-2.3983,18.0614,-2.5866,1.1512,2
+Hg2+2,Hg2(+2),Hg2+2,aq,SSWS97,DEW17.3,2017-09-26,DEW,cal,36710,39870,-15.66,17.1,14.4,4.7103,0.2016,4.6691,-2.7873,23.7435,0.4486,0.8201,2
+Ho+3,Ho(+3),Ho+3,aq,SSWS97,DEW17.2,2017-09-26,DEW,cal,-161400,-169000,-54.3,-33.3,-41.6,-8.2013,-2.1821,13.9033,-2.6888,8.6686,-9.8178,2.3899,3
+HO2-,HO2(-),HO2-,aq,SSWS97,DEW17.3,2017-09-26,DEW,cal,-16100,-38320,5.7,-30.2,5.7,3.3684,-1.0761,5.7404,-2.7345,2.7006,-9.1863,1.5449,-1
+HPO4-2,HPO4(-2),HPO4-2,aq,SSWS97,DEW17.3,2017-09-26,DEW,cal,-260310,-308815,-8,-58.3,5.4,4.1694,-0.3134,5.1009,-2.766,2.7358,-14.9104,3.3363,-2
+HS-,HS(-),HS-,aq,SSWS97,DEW17.3,2017-09-26,DEW,cal,2860,-3850,16.3,-22.6,20.65,6.222,1.6408,3.4623,-2.8468,6.1991,-7.6376,1.441,-1
+HSe-,HSe(-),HSe-,aq,SSWS97,DEW17.3,2017-09-26,DEW,cal,10500,3800,19,-12.6,19,5.8535,1.29,3.7565,-2.8323,11.1346,-5.6013,1.3408,-1
+HSeO3-,HSeO3(-),HSeO3-,aq,SSWS97,DEW17.3,2017-09-26,DEW,cal,-98340,-122980,32.3,4.9,32.3,8.3403,3.6577,1.7712,-2.9302,19.543,-2.0364,1.1402,-1
+HSeO4-,HSeO4(-),HSeO4-,aq,SSWS97,DEW17.3,2017-09-26,DEW,cal,-108100,-139000,35.7,-41.9,31,8.063,3.3936,1.9926,-2.9193,-8.3614,-11.5697,1.0885,-1
+HSiO3-,HSiO3(-),HSiO3-,aq,HS19,DEW19.1,2020-06-30,DEW,cal,-242855,-276479,-3.5,16,21.2,6.4445,1.8526,3.2847,-2.8556,31.0405,0.2246,1.6821,-1
+HSO3-,HSO3(-),HSO3-,aq,SSWS97,DEW17.21,2017-09-26,DEW,cal,-126130,-149670,33.4,-1.4,33.3,6.7014,8.5816,2.3771,-3.1338,15.6949,-3.3198,1.1233,-1
+HSO4-,HSO4(-),HSO4-,aq,SSWS97,DEW17.3,2017-09-26,DEW,cal,-180630,-212500,30,5.3,35.2,8.9201,4.2097,1.3083,-2.953,20.096,-1.955,1.1748,-1
+HSO5-,HSO5(-),HSO5-,aq,SSWS97,DEW17.3,2017-09-26,DEW,cal,-152370,-185380,50.7,29.2,50.7,11.7798,6.9324,-0.9747,-3.0656,31.2126,2.9134,0.8611,-1
+HVO4-2,HVO4(-2),HVO4-2,aq,SSWS97,DEW17.3,2017-09-26,DEW,cal,-233000,-277000,4,-48.3,17.4,6.4118,1.8216,3.3107,-2.8543,6.9054,-12.8732,3.1527,-2
+In+3,In(+3),In+3,aq,SSWS97,DEW17.201,2017-09-26,DEW,cal,-23400,-32335,-63,-34.9,-42.2,-8.3223,-2.0934,13.9778,-2.6925,8.7478,-10.1438,2.5003,3
+isobutane,Isobutane,C4H10,aq,SH90,DEW17.22,2017-09-26,DEW,cal,36,-36230,40.02,133.92,82.81,17.46,12.34,-5.51,-3.29,92.3,19.12,-0.3,0
+KCl,KCl(0),KCl,aq,OH88,DEW17.23,2017-09-26,DEW,cal,-98850,NA,34,-1.5,34,8.1715,3.4969,1.9059,-2.9236,6.2088,-3.3402,0.1,0
+KOH,KOH(0),KOH,aq,HP97,SHA14.3,2017-09-26,DEW,cal,-102800,-180000,36.3,-6.5,20.3,5.6931,1.1373,3.8845,-2.826,6.7794,-4.3587,0.48,0
+KSO4-,KSO4(-),KSO4-,aq,SGX+06,DEW17.25,2017-09-26,DEW,cal,-246570,-276980,34,-22,50.7,11.8943,7.0414,-1.066,-3.0701,3.4037,-7.516,1.0996,-1
+La+3,La(+3),La+3,aq,SSWS97,DEW17.2,2017-09-26,DEW,cal,-164000,-169600,-52,-37.2,-38.6,-7.3053,-2.8394,13.3515,-2.6616,4.2393,-10.6121,2.1572,3
+lactate,LACTATE,C3H5O3-,aq,SH90,DEW17.101,2017-09-26,DEW,cal,-122530,-164070,31.9,26.7,56.25,8.4977,19.7863,-0.0855,-3.597,32.3804,2.4041,1.1469,-1
+"lactic acid",LACTIC-ACID,C3H6O3,aq,SH90,DEW17.3,2017-09-26,DEW,cal,-127800,-164000,49.8,66.7,69.38,14.8713,9.8758,-3.4427,-3.1873,42.8872,10.5521,-0.2572,0
+leucine,LEUCINE,C6H13NO2,aq,SH90,DEW17.3,2017-09-26,DEW,cal,-82000,-151070,51.5,95.1,107.57,22.2006,16.854,-9.2938,-3.4757,57.8483,16.3373,-0.4399,0
+Lu+3,Lu(+3),Lu+3,aq,SSWS97,DEW17.1,2017-09-26,DEW,cal,-159400,-167900,-63.1,-32.8,-45,-9.398,-1.3044,14.6401,-2.7251,9.5649,-9.716,2.4554,3
+CH4,CH4,CH4,aq,PS01,DEW17.3,2017-09-26,DEW,cal,-8234,-21010,20.99,57.69,36,8.32,3.64,1.79,-2.93,40.9,6.45,-0.4,0
+methanol,METHANOL,CH3OH,aq,PS01,DEW17.01,2017-09-26,DEW,cal,-42050,-58870,31.6,37.73,38.69,8.4,4.1,-0.24,-1.43,34.4,0.96,-0.15,0
+MgHCO3+,Mg(HCO3)(+),Mg(HCO3)+,aq,SBS14,DEW17.26,2017-09-26,DEW,cal,-250280,-275750,-5,59,25.9,6.8514,2.2401,2.9598,-2.8716,46.5246,8.9837,0.6274,1
+MgHSiO3+,Mg(HSiO3)(+),Mg(HSiO3)+,aq,SSWS97,DEW17.4,2017-09-26,DEW,cal,-353025,-385700,-23.78,37.82,2.5,2.4433,-1.9569,6.4789,-2.6981,36.7319,4.6693,0.9118,1
+MgCl+,MgCl(+),MgCl+,aq,SSWS97,DEW17.6,2017-09-26,DEW,cal,-139700,-150933,-19,25,1.25,3.21,-4.92,6.27,-2.58,28.6,2.058,0.8449,1
+MgCO3,MgCO3(0),MgCO3,aq,SSWS97,DEW17.27,2017-09-26,DEW,cal,-238760,-270570,-24,-24.8,17.9,5.1407,0.6113,4.3256,-2.8043,-5.6039,-8.0864,0.3,0
+MgO,MgO,MgO,aq,HS19,DEW19.1,2020-06-30,DEW,cal,-137500,-139804,24.6,-24.5,6.2,2.8684,-1.5521,6.1396,-2.7148,-5.4281,-8.0252,0.3,0
+MgOH+,MgOH(+),MgOH+,aq,SSWS97,DEW19.2,2020-06-30,DEW,cal,-149225,-152955,-18,40,2,2.3141,-2.0799,6.5821,-2.693,37.393,5.1134,0.8449,1
+Mg(SiO2)(HCO3)+,Mg(SiO2)(HCO3)+,Mg(SiO2)(HCO3)+,aq,HS19,DEW19.1,2020-06-30,DEW,cal,-454300,-479123,48,78.5,53.5,11.8266,6.977,-1.012,-3.0674,50.5582,12.9558,-0.1752,1
+MgSO4,MgSO4,MgSO4,aq,ARHB06,DEW17.29,2017-09-26,DEW,cal,-289449,-327449,-1,20,35,8.3417,3.659,1.77,-2.9303,18.3485,1.0394,0.05,0
+Mn+2,Mn(+2),Mn+2,aq,SSWS97,DEW17.2,2017-09-26,DEW,cal,-54500,-52724,-17.6,-4.1,-17.1,-1.1288,-5.3578,9.3306,-2.5575,16.6673,-3.8698,1.4006,2
+MnCl+,MnCl(+),MnCl+,aq,SSWS97,DEW17.4,2017-09-26,DEW,cal,-86290,-88280,12,24.63,6.3,2.9207,-1.5023,6.0978,-2.7169,23.9969,1.9824,0.3686,1
+MnO4-,MnO4(-),MnO4-,aq,SSWS97,DEW17.2,2017-09-26,DEW,cal,-106900,-129400,45.7,-1.8,42,6.8923,13.7707,1.6822,-3.3483,13.7425,-3.4012,0.9368,-1
+MnO4-2,MnO4(-2),MnO4-2,aq,SSWS97,DEW17.2,2017-09-26,DEW,cal,-119700,-156000,14,-59.3,27.4,11.8564,-5.6954,0.3402,-2.5436,-0.9265,-15.1141,3.0024,-2
+MnSO4,MnSO4(0),MnSO4,aq,SSWS97,DEW17.4,2017-09-26,DEW,cal,-235640,-266750,5,-21.48,29.2,7.1731,2.5464,2.703,-2.8843,-6.7719,-7.41,-0.038,0
+MoO4-2,MoO4(-2),MoO4-2,aq,SSWS97,DEW17.1,2017-09-26,DEW,cal,-199900,-238500,6.5,-47.5,30.4,12.64,-5.4721,-0.2288,-2.5528,7.0223,-12.7103,3.1145,-2
+N2,N2(0),N2,aq,SHS89,DEW17.3,2017-09-26,DEW,cal,4347,-2495,22.9,56,33.3,7.8213,3.1635,2.1855,-2.9098,35.7911,8.3726,-0.3468,0
+Na(Ac),NaCH3COO(0),NaCH3COO,aq,SK93,DEW17.3,2017-09-26,DEW,cal,-150720,-173540,34.2,75.1,49,11.1806,6.3619,-0.4963,-3.042,52.9437,12.2633,0.3,0
+Na(Ac)2-,Na(CH3COO)2(-1),Na(CH3COO)2-1,aq,SK93,DEW17.3,2017-09-26,DEW,cal,-238470,-292400,44,170,103.2,22.0247,16.6865,-9.1534,-3.4688,114.6669,31.5944,0.9628,-1
+NaCl,NaCl(0),NaCl,aq,SSWS97,DEW17.3,2017-09-26,DEW,cal,-92910,-96120,28,8.51,24,6.1632,1.5849,3.5092,-2.8445,10.8029,-1.3014,-0.038,0
+NaCO3-,NaCO3(-),NaCO3-,aq,SBS13,DEW17.30,2017-09-26,DEW,cal,-190562,NA,8,-1,27.8,7.6427,2.9935,2.3281,-2.9028,19.473,-3.2383,1.5079,-1
+NaHCO3,NaHCO3(0),NaHCO3,aq,HS19,DEW19.1,2020-06-30,DEW,cal,-203100,-219552,32,62,39,9.4783,4.7412,0.8627,-2.975,49.8727,9.5948,0.8,0
+NaHSiO3,NaHSiO3(0),NaHSiO3,aq,SSWS97,DEW17.4,2017-09-26,DEW,cal,-307140,-333044,19,2.34,18.7,5.1339,0.6048,4.3309,-2.804,7.188,-2.5579,-0.038,0
+NaOH,NaOH(0),NaOH,aq,HP97,DEW17.32,2017-09-26,DEW,cal,-100900,NA,6.5,42,12,3.9469,-0.5253,5.2786,-2.7573,32.6238,5.5208,0.2,0
+Nd+3,Nd(+3),Nd+3,aq,SSWS97,DEW17.2,2017-09-26,DEW,cal,-160600,-166500,-49.5,-43.2,-43.1,-8.8788,-1.6852,14.3204,-2.7093,1.6237,-11.8344,2.255,3
+NH3,NH3(0),NH3,aq,SHS89,DEW17.3,2017-09-26,DEW,cal,-6383,-19440,25.77,18.38,24.43,6.241,1.6589,3.4471,-2.8476,16.4796,0.71,-0.05,0
+NH4+,NH4(+),NH4+,aq,SH88,DEW17.3,2017-09-26,DEW,cal,-18990,-31850,26.57,16.02,18.13,5.1135,0.5854,4.3472,-2.8032,16.9412,0.2294,0.1502,1
+Ni+2,Ni(+2),Ni+2,aq,SH88,DEW17.1,2017-09-26,DEW,cal,-10900,-12900,-30.8,-11.7,-29,-2.5121,-9.7907,10.7725,-2.3743,13.1906,-5.4179,1.5067,2
+NO2-,NO2(-),NO2-,aq,SH88,DEW17.1,2017-09-26,DEW,cal,-7700,-25000,29.4,-23.3,25,5.111,7.0957,3.6437,-3.0723,3.4259,-7.7808,1.1847,-1
+NO3-,NO3(-),NO3-,aq,SH88,DEW17.1,2017-09-26,DEW,cal,-26507,-49429,35.12,-16.08,29,5.5224,8.6374,3.1906,-3.1361,6.8564,-6.3098,1.0977,-1
+OH-,OH(-),OH-,aq,BL06,DEW17.33,2017-09-26,DEW,cal,-37595,-54977,-5,-19.01,-9.1,2.1,-5,1,-2.7,12.12,-7.52,1.72,-1
+Pb+2,Pb(+2),Pb+2,aq,SH88,DEW17.1,2017-09-26,DEW,cal,-5710,220,4.2,-12.7,-15.6,0.4392,-8.9495,8.6297,-2.409,8.6624,-5.6216,1.0788,2
+PbCl+,PbCl(+),PbCl+,aq,SSWS97,DEW17.4,2017-09-26,DEW,cal,-39050,-38630,28,4.9,13.8,4.2619,-0.2253,5.0271,-2.7697,10.2183,-2.0365,0.1281,1
+PbCl2,PbCl2(0),PbCl2,aq,SSWS97,DEW17.4,2017-09-26,DEW,cal,-71200,-77700,47,2,34.97,8.2937,3.6133,1.8084,-2.9284,6.9887,-2.6272,-0.038,0
+PbCl3-,PbCl3(-),PbCl3-,aq,SSWS97,DEW17.4,2017-09-26,DEW,cal,-102150,-117700,59,-12,53.8,12.3217,7.4484,-1.4073,-3.0869,5.9111,-5.4789,0.7356,-1
+Pd+2,Pd(+2),Pd+2,aq,SH88,DEW17.1,2017-09-26,DEW,cal,42200,42080,-22.6,-6.3,-20.8,-0.6141,-9.2497,9.3944,-2.3966,15.378,-4.3179,1.4006,2
+PO4-3,PO4(-3),PO4-3,aq,SH88,DEW17.1,2017-09-26,DEW,cal,-243500,-305300,-53,-114.9,-30.6,-1.1971,-7.3196,9.5906,-2.4764,-9.475,-26.4397,5.6114,-3
+Pr+3,Pr(+3),Pr+3,aq,SH88,DEW17.1,2017-09-26,DEW,cal,-162600,-168800,-50,-47.7,-42.1,-8.5275,-1.9429,14.1041,-2.6987,-1.1977,-12.751,2.235,3
+propane,PROPANE,C3H8,aq,SH90,DEW17.34,2017-09-26,DEW,cal,-1963,-30490,33.37,110.6,67,14.2901,9.3224,-2.9787,-3.1644,66.3295,19.4945,-0.5053,0
+propanoate,PROPANOATE,C2H5COO-,aq,SH90,DEW17.35,2017-09-26,DEW,cal,-86770,-122630,26.5,32.46,54.95,8.3786,19.3365,0.046,-3.5784,52.3,-4.2,1.2276,-1
+"propanoic acid",PROPANOIC-ACID,C3H6O2,aq,PS01,DEW17.01,2017-09-26,DEW,cal,-93450,-122470,49.4,61.28,68.27,14.6,7.9,6.9,-4.3,63.3,-1.4,-0.09,0
+propanol,PROPANOL,C3H7OH,aq,PS01,DEW17.01,2017-09-26,DEW,cal,-41910,-75320,40.6,82.85,70.88,14.6,9.1,12.2,-5.5,74.3,3.3,-0.2,0
+Ra+2,Ra(+2),Ra+2,aq,SH88,DEW17.1,2017-09-26,DEW,cal,-134200,-126100,13,-14.4,-10.6,1.5462,-8.634,7.8259,-2.4221,6.2859,-5.9679,0.929,2
+ReO4-,ReO4(-),ReO4-,aq,SH88,DEW17.1,2017-09-26,DEW,cal,-166000,-188200,48.1,-0.2,48.1,7.5456,16.2187,0.9628,-3.4495,14.3448,-3.0753,0.9004,-1
+S2-2,S2(-2),S2-2,aq,SH88,DEW17.1,2017-09-26,DEW,cal,19000,7200,6.8,-65.1,20.2,10.1975,-6.1682,1.5446,-2.524,-3.3497,-16.2955,3.1083,-2
+S2O3-2,S2O3(-2),S2O3-2,aq,SH88,DEW17.1,2017-09-26,DEW,cal,-124900,-155000,16,-57.3,28.5,12.1,-5.626,0.1633,-2.5464,-0.0579,-14.7065,2.9694,-2
+S2O4-2,S2O4(-2),S2O4-2,aq,SH88,DEW17.1,2017-09-26,DEW,cal,-143500,-180100,22,-52.9,35.4,13.6953,-5.1713,-0.995,-2.5652,1.6709,-13.8104,2.8772,-2
+S2O5-2,S2O5(-2),S2O5-2,aq,SH88,DEW17.1,2017-09-26,DEW,cal,-189000,-232000,25,-50.5,38.4,14.3872,-4.9741,-1.4974,-2.5734,2.6824,-13.3215,2.8343,-2
+S2O6-2,S2O6(-2),S2O6-2,aq,SH88,DEW17.1,2017-09-26,DEW,cal,-231000,-280400,30,-46.5,43.3,15.5142,-4.6529,-2.3156,-2.5867,4.3302,-12.5066,2.7587,-2
+S2O8-2,S2O8(-2),S2O8-2,aq,SH88,DEW17.1,2017-09-26,DEW,cal,-266500,-321400,58.4,-25,79,23.7958,-2.2924,-8.3286,-2.6842,12.9633,-8.1272,2.3281,-2
+S3-,S3(-),S3-,aq,PD15,DEW17.36,2017-09-26,DEW,cal,13160,NA,23,95,77,17.242,12.133,-5.3353,-3.2806,76.583,16.3169,1.6,-1
+S3-2,S3(-2),S3-2,aq,SH88,DEW17.1,2017-09-26,DEW,cal,17600,6200,15.8,-57.9,29.2,12.2705,-5.5774,0.0395,-2.5484,-0.3593,-14.8289,2.9749,-2
+S3O6-2,S3O6(-2),S3O6-2,aq,SH88,DEW17.1,2017-09-26,DEW,cal,-229000,-279000,33,-44.1,46.4,16.2285,-4.4493,-2.8343,-2.5951,5.3168,-12.0177,2.7131,-2
+S4-2,S4(-2),S4-2,aq,SH88,DEW17.1,2017-09-26,DEW,cal,16500,5500,24.7,-50.7,38.1,14.3183,-4.9937,-1.4473,-2.5726,2.6083,-13.3623,2.839,-2
+S4O6-2,S4O6(-2),S4O6-2,aq,SH88,DEW17.1,2017-09-26,DEW,cal,-248700,-292600,61.5,-21.3,74.9,22.7873,-2.5799,-7.5963,-2.6723,14.6933,-7.3734,2.2805,-2
+S5-2,S5(-2),S5-2,aq,SH88,DEW17.1,2017-09-26,DEW,cal,15700,5100,33.6,-43.6,47,16.3672,-4.4097,-2.935,-2.5967,5.5361,-11.9159,2.7051,-2
+S5O6-2,S5O6(-2),S5O6-2,aq,SH88,DEW17.1,2017-09-26,DEW,cal,-229000,-281000,40,-38.5,53.4,17.8399,-3.99,-4.0042,-2.6141,7.6267,-10.877,2.6076,-2
+Sc+3,Sc(+3),Sc+3,aq,SH88,DEW17.1,2017-09-26,DEW,cal,-140200,-146800,-61,-35.4,-41.9,-8.2115,-2.1746,13.9095,-2.6891,8.4547,-10.2456,2.5003,3
+SeO3-2,SeO3(-2),SeO3-2,aq,SH88,DEW17.1,2017-09-26,DEW,cal,-88400,-121700,3,-68.1,16.4,9.3228,-6.4175,2.1797,-2.5137,-4.5783,-16.9066,3.1658,-2
+SeO4-2,SeO4(-2),SeO4-2,aq,SH88,DEW17.1,2017-09-26,DEW,cal,-105500,-143200,12.9,-60.2,20.7,10.2644,-6.1491,1.496,-2.5248,-1.2987,-15.2973,3.0192,-2
+Si2O4,Si2O4(0),Si2O4,aq,SHA14,DEW17.37,2017-09-26,DEW,cal,-400751,-427304,18,49,40,10.0724,2.6931,0.6715,-2.8903,35.8049,6.9467,0.1,0
+Si3O6,Si3O6,Si3O6,aq,HS19,DEW19.1,2020-06-30,DEW,cal,-590200,-656130,13,119,67.7,15.1481,10.1393,-3.6636,-3.1982,85.1208,21.2057,1,0
+SiO2,SiO2(0),SiO2,aq,SHA14,DEW17.37,2017-09-26,DEW,cal,-199557,-213937,5.3,27.7,18,4.8998,1.409,4.4066,-2.8372,25.7171,2.6079,0.36,0
+Sm+2,Sm(+2),Sm+2,aq,SH88,DEW17.1,2017-09-26,DEW,cal,-123000,-120500,-6.2,3.7,-5.7,2.8947,-8.2497,6.8469,-2.438,19.6532,-2.2808,1.2285,2
+Sm+3,Sm(+3),Sm+3,aq,SH88,DEW17.1,2017-09-26,DEW,cal,-159100,-165200,-50.7,-43.3,-42,-8.4354,-2.0104,14.0474,-2.6959,1.9384,-11.8547,2.2955,3
+Sn+2,Sn(+2),Sn+2,aq,SH88,DEW17.1,2017-09-26,DEW,cal,-6630,-2100,-3.8,-11.2,-15.5,0.5855,-8.9078,8.5235,-2.4107,11.4503,-5.3161,1.286,2
+SO2,SO2(0),SO2,aq,SHS89,DEW17.38,2017-09-26,DEW,cal,-71980,-77194,38.7,46.6,38.5,8.8794,4.171,1.3408,-2.9514,31.21,6.4579,-0.2461,0
+SO3-2,SO3(-2),SO3-2,aq,SH88,DEW17.1,2017-09-26,DEW,cal,-116300,-151900,-7,-76.1,5.6,6.8322,-7.1274,3.988,-2.4844,-7.8369,-18.5362,3.321,-2
+Sr+2,Sr(+2),Sr+2,aq,SH88,DEW17.1,2017-09-26,DEW,cal,-134760,-131670,-7.53,-10.05,-17.41,0.0404,-9.0632,8.9193,-2.4043,10.7452,-5.0818,1.1363,2
+SrCl+,SrCl(+),SrCl+,aq,SSWS97,DEW17.4,2017-09-26,DEW,cal,-165800,-169790,11,11.25,11.1,3.8602,-0.6079,5.3478,-2.7539,16.2946,-0.743,0.3837,1
+Tb+3,Tb(+3),Tb+3,aq,SH88,DEW17.1,2017-09-26,DEW,cal,-159500,-166900,-54,-40.5,-40.2,-7.7036,-2.5472,13.5968,-2.6737,4.2521,-11.2843,2.3685,3
+Tl+,Tl(+),Tl+,aq,SH88,DEW17.1,2017-09-26,DEW,cal,-7740,1280,30,-4.2,18.2,4.0941,3.2853,4.7634,-2.9148,5.089,-3.8901,0.1502,1
+Tl+3,Tl(+3),Tl+3,aq,SH88,DEW17.1,2017-09-26,DEW,cal,51300,47000,-46,-39.3,-39.3,-7.3904,-2.777,13.4039,-2.6642,4.7607,-11.04,2.3474,3
+Tm+3,Tm(+3),Tm+3,aq,SH88,DEW17.1,2017-09-26,DEW,cal,-159900,-168500,-58.1,-34.3,-43,-8.679,-1.8318,14.1974,-2.7033,8.4825,-10.0214,2.4333,3
+toluene,TOLUENE,C6H5CH3,aq,PS01,DEW17.39,2017-09-26,DEW,cal,30260,3280,44,109,97.5,20.3168,15.0604,-7.7899,-3.4016,67.3756,19.1687,-0.29,0
+U+4,U(+4),U+4,aq,SH88,DEW17.1,2017-09-26,DEW,cal,-126650,-141300,-99.6,0.2,-53.3,-15.6514,11.3263,17.6189,-3.2472,40.2194,-2.9938,3.6835,4
+UO2+2,UO2(+2),UO2+2,aq,SH88,DEW17.1,2017-09-26,DEW,cal,-227680,-243550,-23.5,8.95,5.73,5.7347,-7.4402,4.7848,-2.4714,24.4037,-1.2105,1.4099,2
+urea,UREA,CH4N2O,aq,PS01,DEW17.40,2017-09-26,DEW,cal,-48720,-76100,42.3,20.99,44.02,10.1,5.37,0.333,-3,30.7,-4.42,0.079,0
+VO+2,VO(+2),VO+2,aq,SH88,DEW17.1,2017-09-26,DEW,cal,-106700,-116300,-32,-12,-29.4,-2.5836,-9.8111,10.8244,-2.3734,13.3909,-5.4789,1.5475,2
+VO2+,VO2(+),VO2+,aq,SH88,DEW17.1,2017-09-26,DEW,cal,-140300,-155300,-10.1,31.1,-33.5,-1.378,-17.2198,10.789,-2.0671,30.8449,3.3005,0.7003,1
+WO4-2,WO4(-2),WO4-2,aq,SH88,DEW17.1,2017-09-26,DEW,cal,-219150,-257100,9.7,-44.5,32.2,13.0416,-5.3576,-0.5204,-2.5575,8.331,-12.0991,3.0657,-2
+Xe,Xe(0),Xe,aq,SHS89,DEW17.04,2017-09-26,DEW,cal,3225,-4510,14.62,64.8,42.6,7.5196,10.5793,1.5919,-3.2163,42.1036,10.1652,-0.2214,0
+Y+3,Y(+3),Y+3,aq,SH88,DEW17.1,2017-09-26,DEW,cal,-163800,-170900,-60,-35.7,-40.8,-7.9156,-2.3917,13.7274,-2.6801,7.1634,-10.3067,2.3792,3
+Yb+2,Yb(+2),Yb+2,aq,SH88,DEW17.1,2017-09-26,DEW,cal,-128500,-126800,-11.2,0.7,-10.3,1.7948,-8.5632,7.6454,-2.425,17.895,-2.8919,1.2285,2
+Yb+3,Yb(+3),Yb+3,aq,SH88,DEW17.1,2017-09-26,DEW,cal,-153000,-160300,-56.9,-36.4,-44.5,-9.2233,-1.4325,14.5325,-2.7198,7.3531,-10.4492,2.4443,3
+Zn+2,Zn(+2),Zn+2,aq,SH88,DEW17.1,2017-09-26,DEW,cal,-35200,-36660,-26.2,-6.3,-24.3,-1.4174,-9.4787,9.9777,-2.3872,15.901,-4.318,1.4574,2
+ZnCl+,ZnCl(+),ZnCl+,aq,SSWS97,DEW17.4,2017-09-26,DEW,cal,-66850,-66240,23,19.9,4.8,2.5497,-1.8555,6.3939,-2.7023,19.6948,1.019,0.2025,1
+ZnCl2,ZnCl2(0),ZnCl2,aq,SSWS97,DEW17.4,2017-09-26,DEW,cal,-98300,-109080,27.03,34.66,26,6.5516,1.9547,3.1991,-2.8598,26.1295,4.0257,-0.038,0
+ZnCl3-,ZnCl3(-),ZnCl3-,aq,SSWS97,DEW17.4,2017-09-26,DEW,cal,-129310,-151060,25,41.97,43.9,10.6464,5.8533,-0.0698,-3.021,42.2916,5.5147,1.2513,-1

pychnosz/data/extdata/OBIGT/H2O_aq.csv

@@ -0,0 +1,4 @@
+name,abbrv,formula,state,ref1,ref2,date,model,E_units,G,H,S,Cp,V,a1.a,a2.b,a3.c,a4.d,c1.e,c2.f,omega.lambda,z.T
+water,NA,H2O,liq,JOH92,HGK84,2006-10-25,H2O,cal,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+e-,NA,(Z-1),aq,OBIGT06,NA,2006-10-28,HKF,cal,0,0,15.6166,0,0,0,0,0,0,0,0,0,0
+H+,H+,H+,aq,Den81,NA,1997-11-06,HKF,cal,0,0,0,0,0,0,0,0,0,0,0,0,0