ClearAll["Global`*"]

SELECCIONA-HO TOT (Ctr-A) I FES INTRO

d’aquesta manera crees una sèrie de llistes de magnitud termodinàmiques per als compostos que s’indiquen (entenent que e.g. O2g vol dir O2(gas), CaCl2aq vol dir CaCl2 en dissolució etc) 
el nom de cada llista és el nom del compost  e.g. O2g és la llista {"O2g",0,0,205.138`,29.355`,25.46`,0.015189999999999999`,-7.15`*^-6,1.3110000000000001`*^-9,29.96`,0.004184`,-167000.`}
cada llista conté {nom del compost, ΔHº ( kJ mol^-1), ΔGº ( kJ mol^-1), ΔSº (J K^-1 mol^-1), cpº ( J K^-1 mol^-1), c0,c1,c2,c3,  a,b,c}
atenció a les unitats ( ΔHº i  ΔGº van en KJ però ΔSº va en J)  
Els coefeicients c0, c1, c2 i c3 permeten calcular cp (J K^-1 mol^-1) a alta temperatura amb la funció cp = c0+ c1 T+ c2 T^3 + c3 T^3.  
Els coefeicients a, b i c permeten calcular cp (J K^-1 mol^-1) a alta temperatura amb la fórmula de Maier-Kelley  cp =a+b*T+c/T^2;

title={"name","ΔHº ( kJ mol^-1)","ΔGº ( kJ mol^-1)","ΔSº (J K^-1 mol^-1)","cpº ( J K^-1 mol^-1)","c0","c1","c2" ,"c3"," a","b"  ,"c" };
O2g=Take[{"O2g",0,0,205.138,29.355,25.46,1.519 10^-2,-.7150 10^-5,1.311 10^-9,29.96,4.184 10^-3,-1.67 10^5,na,na,na,na,na,na,na,na,na,50.4,154.6,.025,.0734},12];
H2g=Take[{"H2g",0,0,130.684,28.824,29.09,-.1915 10^-2,.4001 10^-5,-.8699 10^-9,27.28,3.26 10^-3,.50 10^5,na,na,na,na,na,na,na,na,na,12.9,33.0,-.216,.0643},12];
N2g=Take[{"N2g",0,0,191.61,29.125,28.88,-.1570 10^-2,.8075 10^-5,-2.871 10^-9,na,na,na,na,na,na,na,na,na,na,na,na,33.9,126.2,.039,.0898},12];
Cl2g=Take[{"Cl2g",0,0,223.066,33.907,28.54,2.389 10^-2,-2.137 10^-5,6.473 10^-9,na,na,na,na,na,na,na,na,na,na,na,na,79.8,416.9,.090,.1238},12];
HClg=Take[{"HClg",-92.307,-95.299,186.908,29.12,30.31,-.7615 10^-2,1.326 10^-5,-4.335 10^-9,na,na,na,na,na,na,na,na,na,na,na,na,83.1,324.7,.133,.0809},12];
CO2g=Take[{"CO2g",-393.509,-394.359,213.74,37.11,22.24,5.977 10^-2,-3.499 10^-5,7.464 10^-9,44.22,8.79 10^-3,-8.62 10^5,na,na,na,na,na,na,na,na,na,73.8,304.1,.239,.0939},12];
SO2g=Take[{"SO2g",-296.830,-300.194,248.22,39.87,25.76,5.791 10^-2,-3.809 10^-5,8.606 10^-9,na,na,na,na,na,na,na,na,na,na,na,na,78.8,430.8,.256,.1222},12];
COg=Take[{"COg",-110.525,-137.168,197.674,29.142,28.14,.1674 10^-2,.5368 10^-5,-2.220 10^-9,28.41,4.10 10^-3,-.46 10^5,na,na,na,na,na,na,na,na,na,35.0,132.0,.066,.0932},12];
H2Og=Take[{"H2Og",-241.818,-228.572,188.825,33.577,32.22,.1922 10^-2,1.055 10^-5,-3.593 10^-9,30.54,10.30 10^-3,0,na,na,na,na,na,na,na,na,na,221.2,647.3,.344,.0571},12];
NH3g=Take[{"NH3g",-46.11,-16.45,192.45,35.06,27.55,2.563 10^-2,.9901 10^-5,-6.686 10^-9,na,na,na,na,na,na,na,na,na,na,na,na,113.5,405.5,.250,.0725},12];
CH4g=Take[{"CH4g",-74.810,-50.72,186.264,35.309,19.87,5.0251 10^-2,1.268 10^-5,-11.00 10^-9,23.64,47.86 10^-3,-1.92 10^5,na,na,na,na,na,na,na,na,na,46.0,190.4,.011,.0992},12];
CH3OHg=Take[{"CH3OHg",-200.66,-161.96,239.81,43.89,19.04,9.146 10^-2,-1.218 10^-5,-8.033 10^-9,na,na,na,na,na,na,na,na,na,na,na,na,80.9,512.6,.556,.118},12];
CCl4g=Take[{"CCl4g",-102.9,-60.59,309.85,83.30,51.21,14.23 10^-2,-12.53 10^-5,36.94 10^-9,na,na,na,na,na,na,na,na,na,na,na,na,45.6,556.4,.193,.2759},12];
Cs=Take[{"Cs",0,0,5.740,8.527,na,na,na,na,16.86,4.77 10^-3,-8.54 10^5,na,na,na,na,na,na,na,na,na,na,na,na,na},12];
CaOs=Take[{"CaOs",-635.09,-604.03,39.75,42.80,na,na,na,na,49.62,4.52 10^-3,-6.94 10^5,na,na,na,na,na,na,na,na,na,na,na,na,na},12];
SiO2s=Take[{"SiO2s",-910.94,-856.64,41.84,44.43,na,na,na,na,46.94,34.30 10^-3,-11.3 10^5,na,na,na,na,na,na,na,na,na,na,na,na,na},12];
CaCO3s=Take[{"CaCO3s",-1206.92,-1128.79,92.9,81.88,na,na,na,na,104.5,21.9 10^-3,-25.9 10^5,na,na,na,na,na,na,na,na,na,na,na,na,na},12];
CaSiO3s=Take[{"CaSiO3s",-1634.94,-1549.66,81.92,82.57,na,na,na,na,111.5,15.9 10^-3,-27.3 10^5,na,na,na,na,na,na,na,na,na,na,na,na,na},12];
CaO2H2s=Take[{"CaO2H2s",-986.09,-898.49,83.39,87.49,na,na,na,na,105.3,11.94 10^-3,-19.0 10^5,na,na,na,na,na,na,na,na,na,na,na,na,na},12];
NaHCO3s=Take[{"NaHCO3s",-950.81,-851.0,101.7,87.61,na,na,na,na,44.89,143.9 10^-3,0,na,na,na,na,na,na,na,na,na,na,na,na,na},12];
Na2CO3s=Take[{"Na2CO3s",-1130.68,-1044.44,134.98,112.30,na,na,na,na,11.02,244.0 10^-3,24.5 10^5,na,na,na,na,na,na,na,na,na,na,na,na,na},12];
Na2CO3aq=Take[{"Na2CO3aq",-1157.38,-1051.64,61.1,0,na,na,na,na,na,na,na,.1897,.8460,0,-.04803,1.5,2,1,1,2,na,na,na,na},12];
NaCls=Take[{"NaCls",-411.153,-384.138,72.13,50.50,na,na,na,na,na,na,na,na,na,na,na,na,na,na,na,na,na,na,na,na},12];
NaClaq=Take[{"NaClaq",-407.27,-393.133,115.5,-90.0,na,na,na,na,na,na,na,.0765,.2664,0,.00127,6.,1,1,1,1,na,na,na,na},12];
NaNO3aq=Take[{"NaNO3aq",-447.48,-373.15,205.4,-40.2,na,na,na,na,na,na,na,.0641,.1015,0,-.0049,5.,1,1,1,1,na,na,na,na},12];
Na2SO4aq=Take[{"Na2SO4aq",-1389.51,-1268.36,138.1,-201,na,na,na,na,na,na,na,.0196,1.1130,0,.00570,4.,2,1,1,2,na,na,na,na},12];
KOHaq=Take[{"KOHaq",-482.37,-440.50,91.6,-126.8,na,na,na,na,na,na,na,.1298,.3200,0,.0041,5.5,1,1,1,1,na,na,na,na},12];
AgNO3aq=Take[{"AgNO3aq",-101.80,-34.16,219.2,-64.9,na,na,na,na,na,na,na,-.0856,.0025,0,.00591,6.,1,1,1,1,na,na,na,na},12];
MgCl2aq=Take[{"MgCl2aq",-801.15,-717.1,-25.1,na,na,na,na,na,na,na,na,.3523,1.6815,0,.00519,4.5,1,2,2,1,na,na,na,na},12];
MgSO4aq=Take[{"MgSO4aq",-1376.12,-1199.5,-118.0,na,na,na,na,na,na,na,na,.2210,3.343,-37.23,.0250,3.,1,1,2,2,na,na,na,na},12];
CaCl2aq=Take[{"CaCl2aq",-877.13,-816.01,59.8,na,na,na,na,na,na,na,na,.3159,1.6140,0,-.0034,2.5,1,2,2,1,na,na,na,na},12];
BaCl2aq=Take[{"BaCl2aq",-871.95,-823.21,122.6,na,na,na,na,na,na,na,na,.2628,1.4963,0,-.01938,1.8,1,2,2,1,na,na,na,na},12];
ZnSO4aq=Take[{"ZnSO4aq",-1063.15,-891.59,-92.0,-247,na,na,na,na,na,na,na,.1949,2.883,-32.81,.0290,3.5,1,1,2,2,na,na,na,na},12];
CdSO4aq=Take[{"CdSO4aq",-985.16,-822.13,-53.1,99.58,na,na,na,na,na,na,na,.2053,2.617,-48.07,.0114,3.5,1,1,2,2,na,na,na,na},12];
NiSO4aq=Take[{"NiSO4aq",-963.2,-790.3,-108.8,na,na,na,na,na,na,na,na,.1702,2.907,-40.06,.0366,2.5,1,1,2,2,na,na,na,na},12];

Print[""];
Print[" cp (J K^-1 mol^-1) = c0+ c1 T+ c2 T^3 + c3 T^3  (fórmula cúbica) ----------    cp (J K^-1 mol^-1) = a + b T + c/T^2 (fórmula de Maier-Kelley )"];
Print[""];
Print[{title,O2g,H2g,N2g,Cl2g,HClg,CO2g,SO2g,COg,H2Og,NH3g,CH4g,CH3OHg,CCl4g,Cs,CaOs,SiO2s,CaCO3s,CaSiO3s,CaO2H2s,NaHCO3s,Na2CO3s,Na2CO3aq,NaCls,NaClaq,NaNO3aq,Na2SO4aq,KOHaq,AgNO3aq,MgCl2aq,MgSO4aq,CaCl2aq,BaCl2aq,ZnSO4aq,CdSO4aq,NiSO4aq}//TableForm]

EXPLEMPLE APLICATIU

"Càlcul kp de H2(g) +1/2 O2(g) -> H2O(g)  a  298K i a 1000K (amb fórmula Maier-Kelley a + b T + c/T^2 )"  ;
"la constant de gasos R la fiquem en minúscula" ;r=8.3145; "Cal recordar:  ΔH=ΔHº+ (∫_298^T)cp \[DifferentialD]T  ;  ΔS=ΔSº+ (∫_298^T)cp ((\[DifferentialD]T)/T)  ;      ΔG=ΔH-TΔS ";

ΔGº=H2Og[[3]]-H2g[[3]]-(1/2)O2g[[3]];   (* ΔGº en KJouls *)
 kpº=Exp[-ΔGº 10^3/(r*298)];  (* passem ΔGº a Jouls, perquè R ve en Jouls*)
ΔHº=H2Og[[2]]-H2g[[2]]-(1/2)O2g[[2]];  (* ΔHº en KJouls *)
ΔSº=H2Og[[4]]-H2g[[4]]-(1/2)O2g[[4]];(* atenció! ΔSº en Jouls *)
Tf=1000;
ΔH= ΔHº+(10^(-3)) (∫_298^Tf)((H2Og[[10]]-H2g[[10]]-(1/2)O2g[[10]]) +(H2Og[[11]]-H2g[[11]]-(1/2)O2g[[11]]) T+(H2Og[[12]]-H2g[[12]]-(1/2)O2g[[12]])/T^2)\[DifferentialD]T ; (* el (10^(-3)) és per passar a KJouls *)
ΔS= ΔSº+ (∫_298^Tf)((H2Og[[10]]-H2g[[10]]-(1/2)O2g[[10]]) +(H2Og[[11]]-H2g[[11]]-(1/2)O2g[[11]]) T+(H2Og[[12]]-H2g[[12]]-(1/2)O2g[[12]])/T^2) ((\[DifferentialD]T)/T) ;
ΔG=ΔH-Tf (ΔS*10^-3);  (* el (10^(-3)) és per passar ΔS a KJouls *)
 kp=Exp[-ΔG 10^3/(r*Tf)];  (* passem ΔG a Jouls, perquè R ve en Jouls*)
Print["kpº = ",kpº,"  ;  kp =   ",kp]