Различия

Здесь показаны различия между двумя версиями данной страницы.

--- sensors:p:grt_cpx_beyer [2017/06/01 12:52]
admin
+++ sensors:p:grt_cpx_beyer [2018/11/12 15:08] (текущий)
@@ Строка 34: / Строка 34: @@
 sensors.p.grt_cpx_beyer <- function(Grt, Cpx, Temp, usePFU = FALSE, ...){
-    row_names <- paste0(Grt$Name,"-",Cpx$Name);
+    presults <- data.frame(Name = paste0(Grt$Name,"-",Cpx$Name));
     if(!usePFU){
         Grt <- recalc.grt_nm(Grt);
-        Cpx <- recalc.px_nm(Grt);
+        Cpx <- recalc.px_nm(Cpx);
     }
+    T <- Temp+273;
     Grt <- selectNames(Grt,c('Fe_pfu', 'Mg_pfu', 'Ca_pfu'));
@@ Строка 45: / Строка 47: @@
     #Recalc to 12 ox
-    Grt$Fe_pfu <- (Grt$Fe_pfu / (Grt$Fe_pfu + Grt$Mg_pfu + Grt$Ca_pfu))*3;
+    Grt$X_Fe <- Grt$Fe_pfu / (Grt$Fe_pfu + Grt$Mg_pfu + Grt$Ca_pfu);
-    Grt$Mg_pfu <- (Grt$Mg_pfu / (Grt$Fe_pfu + Grt$Mg_pfu + Grt$Ca_pfu))*3;
+    Grt$X_Mg <- Grt$Mg_pfu / (Grt$Fe_pfu + Grt$Mg_pfu + Grt$Ca_pfu);
-    Grt$Ca_pfu <- (Grt$Ca_pfu / (Grt$Fe_pfu + Grt$Mg_pfu + Grt$Ca_pfu))*3;
+    Grt$X_Ca <- Grt$Ca_pfu / (Grt$Fe_pfu + Grt$Mg_pfu + Grt$Ca_pfu);
+    Grt$Fe_ox12_pfu <- Grt$X_Fe*3;
+    Grt$Mg_ox12_pfu <- Grt$X_Mg*3;
+    Grt$Ca_ox12_pfu <- Grt$X_Ca*3;
     Cpx$Al_T_pfu <- 2 - Cpx$Si_pfu;
     Cpx$FeMg_M1_pfu <- 1 - (Cpx$Al_pfu-Cpx$Al_T_pfu) - Cpx$Ti_pfu - Cpx$Fe_p3_pfu;
@@ Строка 65: / Строка 69: @@
     Cpx$Al_Esk_pfu <- ifelse((Cpx$Al_pfu-Cpx$Na_pfu)-2*(2-Cpx$Si_pfu) < 0, 0.0, (Cpx$Al_pfu-Cpx$Na_pfu)-2*(2-Cpx$Si_pfu));
     Cpx$NaCa_M2_pfu <- Cpx$Na_M2_pfu + Cpx$Ca_M2_pfu;
-    return(Cpx);
+    Grt$W_CaMg <- 21627-5.78*T;
+    Grt$W_MgCa <- 9834-5.78*T;
+    Grt$W_CaFe <- 873-1.69*T;
+    Grt$W_FeCa <- 6773-1.69*T;
+    Grt$W_MgFe <- 2117;
+    Grt$W_FeMg <- 695;
+    Grt$Grs_RTg <- 0.5 * Grt$W_CaMg * Grt$X_Mg * (1-Grt$X_Ca+Grt$X_Mg+2*Grt$X_Ca*(Grt$X_Ca-Grt$X_Mg-1)) +
+.5 * Grt$W_MgCa * Grt$X_Mg * (1-Grt$X_Ca-Grt$X_Mg-2*Grt$X_Ca*(Grt$X_Ca-Grt$X_Mg-1)) +
+.5 * Grt$W_CaFe * Grt$X_Fe * (1-Grt$X_Ca+Grt$X_Fe+2*Grt$X_Ca*(Grt$X_Ca-Grt$X_Fe-1)) +
+.5 * Grt$W_FeCa * Grt$X_Fe * (1-Grt$X_Ca-Grt$X_Fe-2*Grt$X_Ca*(Grt$X_Ca-Grt$X_Fe-1)) +
+                     Grt$W_MgFe * Grt$X_Mg * Grt$X_Fe*(Grt$X_Mg-Grt$X_Fe-0.5) +
+                     Grt$W_FeMg * Grt$X_Fe * Grt$X_Mg*(Grt$X_Fe-Grt$X_Mg-0.5) +
+               (((Grt$W_MgCa - Grt$W_CaMg ) + (Grt$W_CaFe - Grt$W_FeCa) + (Grt$W_FeMg - Grt$W_MgFe))/2) *
+               Grt$X_Mg * Grt$X_Fe * (1-2 * Grt$X_Ca);
+    Grt$Grs_RTln_X3 <- 8.314*T*log(Grt$X_Ca^3);
+    Grt$Grs_RTlna_CaAl <- 3*Grt$Grs_RTg + Grt$Grs_RTln_X3;
+    Grt$Pyr_RTg <- 0.5*Grt$W_MgCa*Grt$X_Ca*(1-Grt$X_Mg+Grt$X_Ca+2*Grt$X_Mg*(Grt$X_Mg-Grt$X_Ca-1))+
+.5*Grt$W_CaMg*Grt$X_Ca*(1-Grt$X_Mg-Grt$X_Ca-2*Grt$X_Mg*(Grt$X_Mg-Grt$X_Ca-1))+
+.5*Grt$W_MgFe*Grt$X_Fe*(1-Grt$X_Mg+Grt$X_Fe+2*Grt$X_Mg*(Grt$X_Mg-Grt$X_Fe-1))+
+.5*Grt$W_FeMg*Grt$X_Fe*(1-Grt$X_Mg-Grt$X_Fe-2*Grt$X_Mg*(Grt$X_Mg-Grt$X_Fe-1))+
+                   Grt$W_CaFe*Grt$X_Ca*Grt$X_Fe*(Grt$X_Ca-Grt$X_Fe-0.5)+
+                   Grt$W_FeCa*Grt$X_Fe*Grt$X_Ca*(Grt$X_Fe-Grt$X_Ca-0.5)+
+               (((Grt$W_MgCa-Grt$W_CaMg)+(Grt$W_CaFe-Grt$W_FeCa)+(Grt$W_FeMg-Grt$W_MgFe))/2)*Grt$X_Ca*Grt$X_Fe*(1-2*Grt$X_Mg);
+    Grt$Pyr_RTLn_X3Y2 <- 8.314*T*log(Grt$X_Mg^3);
+    Grt$Pyr_RTlna_MgAl <-  3*Grt$Pyr_RTg + Grt$Pyr_RTLn_X3Y2;
+    Cpx$W_MgFe <- 0;
+    Cpx$W_MgAl <- 4849;
+    Cpx$W_FeAl <- 3573;
+    Cpx$W_CaNa <- 11567;
+    Cpx$W_MgNa <- -35873;
+    Cpx$W_FeNa <- 59319;
+    Cpx$W_CaMg <- 24920;
+    Cpx$W_CaFe <- -49275;
+    Cpx$W_FeMg <- 0;
+    Cpx$W_AlSi <- 7038;
+    Cpx$Dio_RTLn_XM1XM2Xtet <- 8.314*T*log(Cpx$Ca_M2_pfu*Cpx$Mg_M1_pfu*(Cpx$Si_pfu/2)^2);
+    Cpx$Dio_RTLn_M2 <- Cpx$Mg_M2_pfu^2*Cpx$W_CaMg+
+                       Cpx$Na_M2_pfu^2*Cpx$W_CaNa+Cpx$Fe_M2_pfu^2*Cpx$W_CaFe+
+                       Cpx$Fe_M2_pfu*Cpx$Mg_M2_pfu*(Cpx$W_CaMg+Cpx$W_CaFe-Cpx$W_FeMg)+
+                       Cpx$Mg_M2_pfu*Cpx$Na_M2_pfu*(Cpx$W_CaMg+Cpx$W_CaNa-Cpx$W_MgNa)+
+                       Cpx$Na_M2_pfu*Cpx$Fe_M2_pfu*(Cpx$W_CaNa+Cpx$W_CaFe-Cpx$W_FeNa);
+    Cpx$Dio_RTLn_M1 <- Cpx$Al_M1_pfu^2*Cpx$W_MgAl+Cpx$Fe_M1_p2_pfu^2*Cpx$W_MgFe+
+                       Cpx$Al_M1_pfu*Cpx$Fe_M1_p2_pfu*(Cpx$W_MgAl+Cpx$W_MgFe-Cpx$W_FeAl);
+    Cpx$Dio_RTLn_tet <- Cpx$W_AlSi*(Cpx$Al_T_pfu/2)^2;
+    Cpx$Dio_Recip <-  0-Cpx$Al_M1_pfu*(Cpx$Fe_M2_pfu*(-21000))-
+                        Cpx$Fe_M1_p2_pfu*(Cpx$Fe_M2_pfu*(-4680) + Cpx$Mg_M2_pfu*(-5010));
+    Cpx$Dio_RTLna_CaMgSi <- Cpx$Dio_RTLn_XM1XM2Xtet + Cpx$Dio_RTLn_M2 + Cpx$Dio_RTLn_M1 + Cpx$Dio_RTLn_tet + Cpx$Dio_Recip;
+    Cpx$CaTs_RTLn_XM1XM2Xtet <- 8.314*T*log(Cpx$Al_M1_pfu*(4*Cpx$Ca_M2_pfu)*(Cpx$Al_T_pfu/2)*(Cpx$Si_pfu/2));
+    Cpx$CaTs_RTLn_M2 <- Cpx$Dio_RTLn_M2;
+    Cpx$CaTs_RTLn_M1 <- Cpx$Mg_M1_pfu^2*Cpx$W_MgAl+Cpx$Fe_M1_p2_pfu^2*Cpx$W_FeAl+
+                        Cpx$Mg_M1_pfu*Cpx$Fe_M1_p2_pfu*(Cpx$W_MgAl+Cpx$W_FeAl-Cpx$W_MgFe);
+    Cpx$CaTs_RTLn_tet <- Cpx$W_AlSi*(Cpx$Si_pfu/2)^2;
+    Cpx$CaTs_Recip <- (1-Cpx$Al_M1_pfu)*(Cpx$Fe_M2_pfu*(-21000))-
+                      Cpx$Fe_M1_p2_pfu*(Cpx$Fe_M2_pfu*(-4680)+Cpx$Mg_M2_pfu*(-5010));
+    Cpx$CaTs_RTLna_CaAlAl <- Cpx$CaTs_RTLn_XM1XM2Xtet + Cpx$CaTs_RTLn_M2 + Cpx$CaTs_RTLn_M1 +
+                             Cpx$CaTs_RTLn_tet + Cpx$CaTs_Recip;
+    presults$RTLnK <- Cpx$CaTs_RTLna_CaAlAl +Cpx$Dio_RTLna_CaMgSi -1/3*Grt$Pyr_RTlna_MgAl -2/3*Grt$Grs_RTlna_CaAl;
+    presults$K <- exp(presults$RTLnK/(8.314*T));
+    presults$dGt <- 16500-23.5*T;
+    presults$P <- -(presults$dGt+8.314*T*log(presults$K))/(0.719*1000);
+    # if NA -> "no Al4 in cpx!"
+    return(data.frame(Name = presults$Name, T=Temp, P_calc = presults$P));
 }
@@ Строка 79: / Строка 167: @@
     grt = data.frame(Name='Grt', Fe_pfu=c(25), Mg_pfu=c(52), Ca_pfu=c(23));
-    cpx = data.frame(Name='Cpx', Si_pfu=c(1.962), Al_pfu=c(0.244), Fe_pfu=c(0.09), Mg_pfu=c(0.741), Ca_pfu=c(0.783), Na_pfu=c(0.171));
+    cpx = data.frame(Name='Cpx', Si_pfu=c(1.962), Al_pfu=c(0.244), Fe_p2_pfu=c(0.09), Mg_pfu=c(0.741), Ca_pfu=c(0.783), Na_pfu=c(0.171));
-    ret = sensors.p.grt_cpx_beyer(grt, cpx, 1000, usePFU = TRUE);
+    ret = sensors.p.grt_cpx_beyer(grt, cpx, 1007, usePFU = TRUE);
     print(ret);
 }
 </Code>
+{{tag> MA_igroup Grt Cpx fixed}}