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--- recalc:cpx_sturm [2016/02/19 09:04]
admin
+++ recalc:cpx_sturm [2018/11/12 15:08]
@@ Строка 1: / Строка 1: @@
-====== Cpx: by Sturm, 2002 with Fe3+ by Droop, 1983 ======
-Recalculatation for Cpx. Fe3+ calculated.
-=== Подробнее ===
-<data recalc>
-Reference [wiki]: <ref:sturm02>
-Input data type: wtp
-Inputs: Si, Al, Fe, Ti, Cr, V, Zr, Sc, Zn, Mg, Mn, Li, Ca, Na
-Output data type: pfu
-Outputs: Fe_p2_pfu, Fe_p3_pfu, Si_T_pfu, Al_M1_pfu, Fe_M1_pfu, Al_T_pfu, Fe_T_pfu, Mg_M2_pfu, Fe_M2_pfu, Mg_M1_pfu
-Use [wiki]: <use:recalc.cpx_sturm>
-Test [wiki]: <test:recalc.cpx_sturm>
-</data>
- [[:ppy:mod_recalc#cpx_sturm|Рассчитать]]
- [[:tests#recalc.cpx_sturm]]
-<Code linenums lang-r>
-source("recalc_common_cation.r")
-source("recalc_common_oxygen.r")
-recalc.cpx_sturm <- function (wtp_data, ...) {
-ox_group <- c("SiO2_wtp","TiO2_wtp", "Al2O3_wtp", "FeO_wtp",
-              "MnO_wtp", "MgO_wtp", "CaO_wtp", "K2O_wtp",
-              "Na2O_wtp" ,"Li2O_wtp", "ZnO_wtp", "NiO_wtp",
-              "Cr2O3_wtp",  "Sc2O3_wtp");
-wtp_group <- selectNames(wtp_data,ox_group);
-oxcoeff <- c( 2 / 60.0848, 2 / 79.8988, 3 / 101.96128, 1 / 71.8464,
-/ 70.9374, 1 / 40.3044, 1 / 56.0794, 1 / 94.1954,
-/ 61.97894, 1 / 29.8814, 1 / 81.3794, 1 / 74.7094,
-/ 151.9902, 3 / 137.91 );
-cxcoeff <- c( 1 / 60.0848, 1 / 79.8988, 2 / 101.96128, 1 / 71.8464,
-/ 70.9374, 1 / 40.3044, 1 / 56.0794, 2 / 94.1954,
-/ 61.97894, 2 / 29.8814, 2 / 81.3794, 1 / 74.7094,
-/ 151.9902, 2 / 137.91);
-step1_data <- rowApply(`*`, wtp_group, oxcoeff);
-step1_sum <- 6 / rowSums(step1_data);
-step1_data <- rowApply(`*`, wtp_group, cxcoeff) * step1_sum;
-sum_pfu <- rowSums(step1_data);
-names(step1_data) <- c("Si_pfu","Ti_pfu", "Al_pfu", "Fe_pfu",
-                       "Mn_pfu", "Mg_pfu", "Ca_pfu", "K_pfu",
-                       "Na_pfu" ,"Li_pfu" , "Zn_pfu", "Ni_pfu",
-                       "Cr_pfu",  "Sc_pfu");
-fe3_droop <- ifelse(
-    ifelse(
-        sum_pfu > 6 / 1.5,
-* 6 * (1 - (6 / 1.5) / sum_pfu),
-        ) > step1_data$Fe_pfu,
-        step1_data$Fe_pfu,
-        ifelse(
-          sum_pfu > 6 / 1.5,
-* 6 * (1 - (6 / 1.5) / sum_pfu),
-        )
-      );
-fe3_lind <- ifelse(
-               (2 - step1_data$Si_pfu * ((6 / 1.5) / sum_pfu) ) +
-               step1_data$Na_pfu * ((6 / 1.5) / sum_pfu) -
-               (step1_data$Al_pfu * ( (6 / 1.5) / sum_pfu) -
-               (2 - step1_data$Si_pfu * ( (6 / 1.5) / sum_pfu) ) ) -
-               step1_data$Cr_pfu * ( (6 / 1.5) / sum_pfu) -
-* step1_data$Ti_pfu * ( (6 / 1.5) / sum_pfu) > 0,
-               (2 - step1_data$Si_pfu * ( (6 / 1.5) / sum_pfu) ) +
-               step1_data$Na_pfu * ( (6 / 1.5) / sum_pfu) -
-               (step1_data$Al_pfu * ( (6 / 1.5) / sum_pfu) -
-               (2 - step1_data$Si_pfu * ( (6 / 1.5) / sum_pfu) ) ) -
-               step1_data$Cr_pfu * ( (6 / 1.5) / sum_pfu) -
-* step1_data$Ti_pfu * ( (6 / 1.5) / sum_pfu),
-);
-step1_data$Fe_p3_pfu <- fe3_droop;
-step1_data$Fe_p2_pfu <- step1_data$Fe_pfu - step1_data$Fe_p3_pfu;
-compose_data <- step1_data;
-compose_data$Sum_T_pfu <- 0.0;
-compose_data$Sum_M1_pfu <- 0.0;
-compose_data$Sum_M2_pfu <- 0.0;
-compose_data <- occupation (compose_data, "Sum_T_pfu", 2.0,
-                            c("Si_pfu", "Al_pfu", "Fe_p3_pfu"));
-step1_data$Al_M1_pfu <- compose_data$Al_pfu;
-step1_data$Al_T_pfu <- step1_data$Al_pfu - step1_data$Al_M1_pfu;
-step1_data$Fe_T_pfu <- step1_data$Fe_p3_pfu - compose_data$Fe_p3_pfu;
-compose_data <- occupation (compose_data, "Sum_M1_pfu", 1.0,
-                            c("Al_pfu", "Fe_p3_pfu", "Ti_pfu",
-                              "Cr_pfu", "Sc_pfu", "Zn_pfu",
-                              "Mg_pfu", "Fe_p2_pfu"));
-step1_data$Fe_M1_pfu <- step1_data$Fe_p3_pfu -
-                        step1_data$Fe_T_pfu -
-                        compose_data$Fe_p3_pfu;
-ret <- data.frame(Name = wtp_data$Name);
-return (cbind(ret, step1_data));
-}
-recalc.cpx_sturm.test <- function () {
-  src <- data.frame(Name="test", SiO2_wtp=57.10, TiO2_wtp=0.17, Al2O3_wtp=0.7,
-  FeO_wtp=5.57, MnO_wtp=0.17, MgO_wtp=34.52, CaO_wtp=0.62, K2O_wtp=0.03,
-  Na2O_wtp=0.07, Cr2O3_wtp=0.27);
-  result <- recalc.cpx_sturm (src);
-  expect_equal(object = result$Fe_p2_pfu, 0.16, tolerance = 0.005);
-  expect_equal(object = result$Si_pfu, 1.977, tolerance = 0.005);
-}
-</Code>