/* * cubic_autocatalysis.java */ import com.comsol.model.*; import com.comsol.model.util.*; /** Model exported on May 12 2026, 13:48 by COMSOL 6.4.0.418. */ public class cubic_autocatalysis { public static Model run() { Model model = ModelUtil.create("Model"); // From the File menu, choose New. // In the New window, click Model Wizard. // In the Model Wizard window, click 0D. // In the Select Physics tree, select Chemical Species Transport > Reaction Engineering (re). // Click Add. // Click Study. // In the Select Study tree, select General Studies > Time Dependent. // Click Done. model.component().create("comp1", true); model.component("comp1").physics().create("re", "ReactionEng"); model.study().create("std1"); model.study("std1").create("time", "Transient"); // In the Model Builder window, under Global Definitions, click Parameters 1. // In the Settings window for Parameters, locate the Parameters section. // Click Load from File. // Browse to the model's Application Library folder and double-click the file cubic_autocatalysis_parameters.txt. // To import content from file, use: // model.param().loadFile("FILENAME"); model.param().set("k", "0.0609[1/s]", "rate constant"); model.param().set("f", "0.06[1/s]", "feed rate"); model.param().set("l", "1[m]", "length"); model.param().set("c0", "1[mol/m^3]", "reference concentration"); model.param().set("DA", "2e-5[m^2/s]", "diffusion coefficient for A"); model.param().set("DB", "1e-5[m^2/s]", "diffusion coefficient for B"); // In the Reaction Engineering toolbar, click Reaction. model.component("comp1").physics("re").create("rch1", "ReactionChem", -1); // In the Settings window for Reaction, locate the Reaction Formula section. // In the Formula text field, type A+2B=>3B. model.component("comp1").physics("re").feature("rch1").set("formula", "A+2B=>3B"); // In the Model Builder window, click Species: B. // In the Settings window for Species, locate the Chemical Formula section. // Clear the Enable formula checkbox. model.component("comp1").physics("re").feature("B").set("enableChemicalFormulaCheckbox", false); // In the Reaction Engineering toolbar, click Reaction. model.component("comp1").physics("re").create("rch2", "ReactionChem", -1); // In the Settings window for Reaction, locate the Reaction Formula section. // In the Formula text field, type B=>0B. model.component("comp1").physics("re").feature("rch2").set("formula", "B=>0B"); // Locate the Rate Constants section. // In the \[k^{\textrm{f}}\] text field, type f+k. model.component("comp1").physics("re").feature("rch2").set("kf", "f+k"); // In the Reaction Engineering toolbar, click Reaction. model.component("comp1").physics("re").create("rch3", "ReactionChem", -1); // In the Settings window for Reaction, locate the Reaction Formula section. // In the Formula text field, type A=>0A. model.component("comp1").physics("re").feature("rch3").set("formula", "A=>0A"); // Locate the Rate Constants section. // In the \[k^{\textrm{f}}\] text field, type f. model.component("comp1").physics("re").feature("rch3").set("kf", "f"); // In the Reaction Engineering toolbar, click Additional Source. model.component("comp1").physics("re").create("add1", "AdditionalSourceFeature", -1); // In the Settings window for Additional Source, locate the Additional Rate Expression section. // In the Volumetric species table, enter the following settings: model.component("comp1").physics("re").feature("add1").setIndex("AddR", "f", 0, 0); // In the Model Builder window, click Initial Values 1. // In the Settings window for Initial Values, locate the Volumetric Species Initial Values section. // In the table, enter the following settings: model.component("comp1").physics("re").feature("inits1").setIndex("initialValue", 1, 1, 0); // In the Study toolbar, click Parametric Sweep. model.study("std1").create("param", "Parametric"); // In the Settings window for Parametric Sweep, locate the Study Settings section. // Click Add. model.study("std1").feature("param").setIndex("pname", "k", 0); model.study("std1").feature("param").setIndex("plistarr", "", 0); model.study("std1").feature("param").setIndex("punit", "1/s", 0); model.study("std1").feature("param").setIndex("pname", "k", 0); model.study("std1").feature("param").setIndex("plistarr", "", 0); model.study("std1").feature("param").setIndex("punit", "1/s", 0); // In the table, enter the following settings: model.study("std1").feature("param").setIndex("plistarr", "range(0.0602, 1e-5, 0.0603)", 0); model.study("std1").feature("param").setIndex("punit", "1/s", 0); // In the Model Builder window, click Step 1: Time Dependent. // In the Settings window for Time Dependent, locate the Study Settings section. // In the Output times text field, type range(0,5,500). model.study("std1").feature("time").set("tlist", "range(0,5,500)"); // In the Study toolbar, click Compute. model.study("std1").createAutoSequences("all"); model.sol().create("sol2"); model.sol("sol2").study("std1"); model.sol("sol2").label("Parametric Solutions 1"); model.batch("p1").feature("so1").set("psol", "sol2"); model.batch("p1").run("compute"); model.result().create("pg1", "PlotGroup1D"); model.result("pg1").set("data", "dset2"); model.result("pg1").create("glob1", "Global"); model.result("pg1").feature("glob1").set("unit", new String[]{"", ""}); model.result("pg1").feature("glob1").set("expr", new String[]{"re.c_A", "re.c_B"}); model.result("pg1").feature("glob1").set("descr", new String[]{"Concentration", "Concentration"}); model.result("pg1").label("Concentration (re)"); model.result("pg1").feature("glob1").set("xdatasolnumtype", "level1"); model.result("pg1").run(); // In the Model Builder window, expand the Results > Concentration (re) node, then click Concentration (re). // In the Settings window for 1D Plot Group, click to expand the Title section. // From the Title type list, select None. model.result("pg1").set("titletype", "none"); model.result("pg1").run(); // In the Model Builder window, right-click Global 1 and choose Color Expression. model.result("pg1").feature("glob1").create("col1", "Color"); model.result("pg1").run(); // In the Settings window for Color Expression, locate the Expression section. // In the Expression text field, type k-0.0602. model.result("pg1").feature("glob1").feature("col1").set("expr", "k-0.0602"); // Locate the Coloring and Style section. // From the Color table list, select Viridis. model.result("pg1").feature("glob1").feature("col1").set("colortable", "Viridis"); // From the Color table transformation list, select Reverse. model.result("pg1").feature("glob1").feature("col1").set("colortabletrans", "reverse"); model.result("pg1").run(); // In the Model Builder window, click Global 1. // In the Settings window for Global, locate the y-Axis Data section. // Click Clear Table. model.result("pg1").feature("glob1").set("expr", new String[]{}); model.result("pg1").feature("glob1").set("descr", new String[]{}); // In the table, enter the following settings: model.result("pg1").feature("glob1").setIndex("expr", "re.c_A", 0); model.result("pg1").feature("glob1").setIndex("unit", "mol/m^3", 0); model.result("pg1").feature("glob1").setIndex("descr", "Concentration", 0); // Click to expand the Legends section. // Clear the Show legends checkbox. model.result("pg1").feature("glob1").set("legend", false); // Right-click Results > Concentration (re) > Global 1 and choose Duplicate. model.result("pg1").feature().duplicate("glob2", "glob1"); model.result("pg1").run(); // In the Settings window for Global, locate the y-Axis Data section. // In the table, enter the following settings: model.result("pg1").feature("glob2").setIndex("expr", "re.c_B", 0); model.result("pg1").feature("glob2").setIndex("unit", "mol/m^3", 0); model.result("pg1").feature("glob2").setIndex("descr", "Concentration", 0); // Click to expand the Coloring and Style section. // Find the Line style subsection. // From the Line list, select Dash-dot. model.result("pg1").feature("glob2").set("linestyle", "dashdot"); model.result("pg1").run(); // In the Model Builder window, expand the Global 2 node, then click Color Expression 1. // In the Settings window for Color Expression, locate the Coloring and Style section. // Clear the Color legend checkbox. model.result("pg1").feature("glob2").feature("col1").set("colorlegend", false); model.result("pg1").run(); // In the Model Builder window, right-click Concentration (re) and choose Annotation. model.result("pg1").create("ann1", "Annotation"); // In the Settings window for Annotation, locate the Position section. // In the x text field, type 150. model.result("pg1").feature("ann1").set("posxexpr", 150); // In the y text field, type 0.593. model.result("pg1").feature("ann1").set("posyexpr", 0.593); // Locate the Annotation section. // In the Text text field, type solid lines: [A]. model.result("pg1").feature("ann1").set("text", "solid lines: [A]"); // Locate the Coloring and Style section. // From the Anchor point list, select Lower left. model.result("pg1").feature("ann1").set("anchorpoint", "lowerleft"); // Right-click Annotation 1 and choose Duplicate. model.result("pg1").feature().duplicate("ann2", "ann1"); model.result("pg1").run(); // In the Settings window for Annotation, locate the Annotation section. // In the Text text field, type dashed lines: [B]. model.result("pg1").feature("ann2").set("text", "dashed lines: [B]"); // Locate the Position section. // In the y text field, type 0.203. model.result("pg1").feature("ann2").set("posyexpr", 0.203); // Locate the Coloring and Style section. // From the Anchor point list, select Upper left. model.result("pg1").feature("ann2").set("anchorpoint", "upperleft"); // In the Concentration (re) toolbar, click Plot. model.result("pg1").run(); // In the Reaction Engineering toolbar, click Generate Space-Dependent Model. model.component("comp1").physics("re").create("sync1", "ReactionToMph", -1); // In the Settings window for Generate Space-Dependent Model, locate the Component Settings section. // From the Component to use list, select 2D: New. model.component("comp1").physics("re").feature("sync1").set("geomToUse", "2D"); // Locate the Study Type section. // From the Study type list, select Time dependent. model.component("comp1").physics("re").feature("sync1").set("study", "Transient"); // Locate the Space-Dependent Model Generation section. // Click Create/Refresh. model.component("comp1").physics("re").prop("synchronize").set("synchronize", "1"); model.component().create("comp2", true); model.component("comp2").geom().create("geom1", 2); model.component("comp2").geom("geom1").axisymmetric(false); model.component("comp2").geom("geom1").label("Geometry 1(2D)"); model.component("comp2").mesh().create("mesh1"); model.study().create("std2"); model.study("std2").create("time", "Transient"); model.component("comp1").physics("re").feature("sync1").set("genom", new String[]{"comp2:geom1"}); model.component("comp1").physics("re").feature("sync1").set("studyname", new String[]{"comp2:std2"}); model.component("comp2").physics().create("chem", "Chemistry", "geom1"); model.component("comp2").physics().move("chem", 0); model.component("comp2").physics().create("tds", "DilutedSpecies", "geom1"); model.component("comp2").physics("chem").prop("TPFeatureInput").set("T_src", "userdef"); model.component("comp2").physics("chem").prop("TPFeatureInput").set("T", "293.15[K]"); model.component("comp2").physics("chem").prop("mixture").set("mixture", "gas"); model.component("comp2").physics("chem").prop("mixture").set("gasDensitySel", "Automatic"); model.component("comp2").physics("chem").prop("Activity").set("useActivity", "0"); model.component("comp2").physics("chem").prop("chemkin").set("chemkin", "0"); model.component("comp2").physics("chem").prop("ChemistryCommonProperty") .set("VolumetricConcentrationGlobalActivityStandardState", "1[mol/m^3]"); model.component("comp2").physics("chem").prop("ChemistryCommonProperty") .set("SurfaceSpeciesConcentrationType", "SurfaceConcentration"); model.component("comp2").physics("chem").prop("ChemistryCommonProperty") .set("SurfaceGlobalActivityStandardState", "1[mol/m^2]"); model.component("comp2").physics("chem").prop("ChemistryCommonProperty") .set("SpeciesrateUserDefinedList", new String[]{}); model.component("comp2").physics("chem").prop("ChemistryCommonProperty").set("AdditionalSourceFeature", "1"); model.component("comp2").physics("chem").prop("ActiveSpecies").set("SumActiveSpecies", "2"); model.component("comp2").physics("chem").prop("ActiveSpecies").set("NumActiveVolumeSpecies", "2"); model.component("comp2").physics("chem").prop("ActiveSpecies").set("NumActiveSurfaceSpecies", "0"); model.component("comp2").physics("chem").prop("ActiveSpecies").set("NumActiveSurfaceSpeciesVariable", "0"); model.component("comp2").physics("chem").prop("ActiveSpecies").set("surface", "0"); model.component("comp2").physics("chem").prop("solventIsSet").set("solventIsSet", "0"); model.component("comp2").physics("chem").create("rch1", "ReactionChem"); model.component("comp2").physics("chem").feature("rch1").set("rSequenceNo", "1"); model.component("comp2").physics("chem").feature("rch1").set("formula", "A + 2 B => 3 B"); model.component("comp2").physics("chem").feature("rch1").set("updatechem", "0"); model.component("comp2").physics("chem").feature("rch1").set("useArrhenius", "0"); model.component("comp2").physics("chem").feature("rch1").set("kf", "1"); model.component("comp2").physics("chem").feature("rch1").set("bulkFwdOrder", "3"); model.component("comp2").physics("chem").feature("rch1").set("surfFwdOrder", "0"); model.component("comp2").physics("chem").feature("rch1").label("1: A + 2 B => 3 B"); model.component("comp2").physics("chem").feature("rch1").set("rClass", "volumetric"); model.component("comp2").physics("chem").create("rch2", "ReactionChem"); model.component("comp2").physics("chem").feature("rch2").set("rSequenceNo", "2"); model.component("comp2").physics("chem").feature("rch2").set("formula", "B => 0 B"); model.component("comp2").physics("chem").feature("rch2").set("updatechem", "0"); model.component("comp2").physics("chem").feature("rch2").set("useArrhenius", "0"); model.component("comp2").physics("chem").feature("rch2").set("kf", "f+k"); model.component("comp2").physics("chem").feature("rch2").set("bulkFwdOrder", "1"); model.component("comp2").physics("chem").feature("rch2").set("surfFwdOrder", "0"); model.component("comp2").physics("chem").feature("rch2").label("2: B => 0 B"); model.component("comp2").physics("chem").feature("rch2").set("rClass", "volumetric"); model.component("comp2").physics("chem").create("rch3", "ReactionChem"); model.component("comp2").physics("chem").feature("rch3").set("rSequenceNo", "3"); model.component("comp2").physics("chem").feature("rch3").set("formula", "A => 0 A"); model.component("comp2").physics("chem").feature("rch3").set("updatechem", "0"); model.component("comp2").physics("chem").feature("rch3").set("useArrhenius", "0"); model.component("comp2").physics("chem").feature("rch3").set("kf", "f"); model.component("comp2").physics("chem").feature("rch3").set("bulkFwdOrder", "1"); model.component("comp2").physics("chem").feature("rch3").set("surfFwdOrder", "0"); model.component("comp2").physics("chem").feature("rch3").label("3: A => 0 A"); model.component("comp2").physics("chem").feature("rch3").set("rClass", "volumetric"); model.component("comp2").physics("chem").feature("A").set("SpeciesSource", "Reaction"); model.component("comp2").physics("chem").feature("A").set("sisDef", "1"); model.component("comp2").physics("chem").feature("A").set("specLabel", "A"); model.component("comp2").physics("chem").feature("A").set("speciesNameInput", "A"); model.component("comp2").physics("chem").feature("A").set("specName", "A"); model.component("comp2").physics("chem").feature("A").set("enableChemicalFormulaCheckbox", "0"); model.component("comp2").physics("chem").feature("A").set("chemicalFormula", ""); model.component("comp2").physics("chem").feature("A").set("sType", "volumetric"); model.component("comp2").physics("chem").feature("A").set("M", "0.0[kg/mol]"); model.component("comp2").physics("chem").feature("A").set("z", "0"); model.component("comp2").physics("chem").feature("A").set("sigma", "3.458[angstrom]"); model.component("comp2").physics("chem").feature("A").set("epsilonkb", "107.4[K]"); model.component("comp2").physics("chem").feature("A").set("mu", "0[C*m]"); model.component("comp2").physics("chem").feature("A").set("rho", "1000[kg/m^3]"); model.component("comp2").physics("chem").feature("A").set("k", "0.02[W/(m*K)]"); model.component("comp2").physics("chem").feature("A").set("ActivityCoefficient", "1"); model.component("comp2").physics("chem").feature("A").set("cLock", "0"); model.component("comp2").physics("chem").feature("A").set("Dependent", "0"); model.component("comp2").physics("chem").feature("A").set("dependent", "0"); model.component("comp2").physics("chem").feature("A").set("SpeciesrateSelection", "Automatic"); model.component("comp2").physics("chem").feature("A").set("AdditionalSource", "1"); model.component("comp2").physics("chem").feature("A").set("AddR", "f"); model.component("comp2").physics("chem").feature("A").set("speciesEnthalpy", "NASA"); model.component("comp2").physics("chem").feature("A").set("Tlo", "300[K]"); model.component("comp2").physics("chem").feature("A").set("Tmid", "1000[K]"); model.component("comp2").physics("chem").feature("A").set("Thi", "5000[K]"); model.component("comp2").physics("chem").feature("A").set("SpeciesThermoaLo1", new String[]{"0"}); model.component("comp2").physics("chem").feature("A").set("SpeciesThermoaLo2", new String[]{"0"}); model.component("comp2").physics("chem").feature("A").set("SpeciesThermoaLo3", new String[]{"0"}); model.component("comp2").physics("chem").feature("A").set("SpeciesThermoaLo4", new String[]{"0"}); model.component("comp2").physics("chem").feature("A").set("SpeciesThermoaLo5", new String[]{"0"}); model.component("comp2").physics("chem").feature("A").set("SpeciesThermoaLo6", new String[]{"0"}); model.component("comp2").physics("chem").feature("A").set("SpeciesThermoaLo7", new String[]{"0"}); model.component("comp2").physics("chem").feature("A").set("SpeciesThermoaHi1", new String[]{"0"}); model.component("comp2").physics("chem").feature("A").set("SpeciesThermoaHi2", new String[]{"0"}); model.component("comp2").physics("chem").feature("A").set("SpeciesThermoaHi3", new String[]{"0"}); model.component("comp2").physics("chem").feature("A").set("SpeciesThermoaHi4", new String[]{"0"}); model.component("comp2").physics("chem").feature("A").set("SpeciesThermoaHi5", new String[]{"0"}); model.component("comp2").physics("chem").feature("A").set("SpeciesThermoaHi6", new String[]{"0"}); model.component("comp2").physics("chem").feature("A").set("SpeciesThermoaHi7", new String[]{"0"}); model.component("comp2").physics("chem").feature("B").set("SpeciesSource", "Reaction"); model.component("comp2").physics("chem").feature("B").set("sisDef", "1"); model.component("comp2").physics("chem").feature("B").set("specLabel", "B"); model.component("comp2").physics("chem").feature("B").set("speciesNameInput", "B"); model.component("comp2").physics("chem").feature("B").set("specName", "B"); model.component("comp2").physics("chem").feature("B").set("enableChemicalFormulaCheckbox", "0"); model.component("comp2").physics("chem").feature("B").set("chemicalFormula", "B"); model.component("comp2").physics("chem").feature("B").set("sType", "volumetric"); model.component("comp2").physics("chem").feature("B").set("M", "10.8135[g/mol]"); model.component("comp2").physics("chem").feature("B").set("z", "0"); model.component("comp2").physics("chem").feature("B").set("sigma", "3.458[angstrom]"); model.component("comp2").physics("chem").feature("B").set("epsilonkb", "107.4[K]"); model.component("comp2").physics("chem").feature("B").set("mu", "0[C*m]"); model.component("comp2").physics("chem").feature("B").set("rho", "1000[kg/m^3]"); model.component("comp2").physics("chem").feature("B").set("k", "0.02[W/(m*K)]"); model.component("comp2").physics("chem").feature("B").set("ActivityCoefficient", "1"); model.component("comp2").physics("chem").feature("B").set("cLock", "0"); model.component("comp2").physics("chem").feature("B").set("Dependent", "0"); model.component("comp2").physics("chem").feature("B").set("dependent", "0"); model.component("comp2").physics("chem").feature("B").set("SpeciesrateSelection", "Automatic"); model.component("comp2").physics("chem").feature("B").set("AdditionalSource", "1"); model.component("comp2").physics("chem").feature("B").set("AddR", "0"); model.component("comp2").physics("chem").feature("B").set("speciesEnthalpy", "NASA"); model.component("comp2").physics("chem").feature("B").set("Tlo", "300[K]"); model.component("comp2").physics("chem").feature("B").set("Tmid", "1000[K]"); model.component("comp2").physics("chem").feature("B").set("Thi", "5000[K]"); model.component("comp2").physics("chem").feature("B").set("SpeciesThermoaLo1", new String[]{"0"}); model.component("comp2").physics("chem").feature("B").set("SpeciesThermoaLo2", new String[]{"0"}); model.component("comp2").physics("chem").feature("B").set("SpeciesThermoaLo3", new String[]{"0"}); model.component("comp2").physics("chem").feature("B").set("SpeciesThermoaLo4", new String[]{"0"}); model.component("comp2").physics("chem").feature("B").set("SpeciesThermoaLo5", new String[]{"0"}); model.component("comp2").physics("chem").feature("B").set("SpeciesThermoaLo6", new String[]{"0"}); model.component("comp2").physics("chem").feature("B").set("SpeciesThermoaLo7", new String[]{"0"}); model.component("comp2").physics("chem").feature("B").set("SpeciesThermoaHi1", new String[]{"0"}); model.component("comp2").physics("chem").feature("B").set("SpeciesThermoaHi2", new String[]{"0"}); model.component("comp2").physics("chem").feature("B").set("SpeciesThermoaHi3", new String[]{"0"}); model.component("comp2").physics("chem").feature("B").set("SpeciesThermoaHi4", new String[]{"0"}); model.component("comp2").physics("chem").feature("B").set("SpeciesThermoaHi5", new String[]{"0"}); model.component("comp2").physics("chem").feature("B").set("SpeciesThermoaHi6", new String[]{"0"}); model.component("comp2").physics("chem").feature("B").set("SpeciesThermoaHi7", new String[]{"0"}); model.component("comp2").physics("chem").prop("simpropChem").set("rSequenceNo", "3"); model.component("comp2").physics("chem").prop("simpropChem").set("sSequenceNo", "2"); model.component("comp2").physics("chem").prop("mixture").set("hasPropertyPackage", "0"); model.component("comp2").physics("chem").prop("mixture").set("PropertyPackage", ""); model.component("comp2").physics("chem").prop("mixture").set("Thermodynamics", "0"); model.component("comp2").physics("tds").field("concentration").component(new String[]{"cA", "cB"}); model.component("comp2").physics("tds").feature("init1").set("initc", new String[]{"0", "1"}); model.component("comp2").physics("tds").feature().create("reac1", "Reactions"); model.component("comp2").physics("tds").feature("reac1").selection().all(); model.component("comp2").physics("tds").feature("reac1").set("ReactingVolumeType", "TotalVolume"); model.component("comp2").physics("chem").prop("ChemistryModelInputParameter").set("MassTransfer", "tds"); model.component("comp2").physics("chem").prop("ChemistryModelInputParameter") .set("ConcentrationInput", new String[]{"cA", "cB"}); model.component("comp2").physics("chem").prop("ChemistryModelInputParameter") .set("ConcentrationValue", new String[]{"Solved for", "Solved for"}); model.component("comp2").physics("chem").prop("ChemistryModelInputParameter") .set("uselog", new String[]{"cA", "cB"}); model.component("comp2").physics("chem").prop("ChemistryModelInputParameter") .set("SolidConcentration", new String[]{}); model.component("comp2").physics("chem").prop("ChemistryModelInputParameter").set("csurf", new String[]{}); model.component("comp2").physics("chem").prop("ChemistryModelInputParameter") .set("AqueousSpeciesConcentration", new String[]{}); model.component("comp2").physics("tds").feature("sp1") .set("z", new String[]{"root.comp2.chem.z_A", "root.comp2.chem.z_B"}); model.component("comp2").physics("tds").feature("cdm1").set("Dchem_cA", "1e-5[m^2/s]"); model.component("comp2").physics("tds").feature("cdm1").set("D_cA", "1e-5[m^2/s]"); model.component("comp2").physics("tds").feature("cdm1").set("Dchem_cB", "1e-5[m^2/s]"); model.component("comp2").physics("tds").feature("cdm1").set("D_cB", "1e-5[m^2/s]"); model.component("comp2").physics("tds").feature("reac1").setIndex("R_cA_src", "root.comp2.chem.R_A", 0); model.component("comp2").physics("tds").feature("reac1").setIndex("R_cB_src", "root.comp2.chem.R_B", 0); model.component("comp2").physics("tds").feature("reac1").set("ReactionHeatSource", "chem"); model.component("comp2").physics("tds").feature("reac1").set("chemTag", "chem"); model.component("comp1").physics("re").feature("sync1").set("geomToUse", "geom1"); model.component("comp1").physics("re").feature("sync1").set("chemTag", "chem"); model.component("comp1").physics("re").feature("sync1").set("massbalance", "tds"); model.study("std2").feature("time").setSolveFor("/physics/re", false); model.study("std2").feature("time").setSolveFor("/physics/chem", true); model.study("std2").feature("time").setSolveFor("/physics/tds", true); model.study("std1").feature("param").setSolveFor("/physics/chem", false); model.study("std1").feature("param").setSolveFor("/physics/tds", false); model.study("std1").feature("time").setSolveFor("/physics/chem", false); model.study("std1").feature("time").setSolveFor("/physics/tds", false); // In the Model Builder window, expand the Component 2 (comp2) node. // Right-click Component 2 (comp2) > Definitions and choose Variables. model.component("comp2").variable().create("var1"); model.component("comp2").geom("geom1").run(); // In the Settings window for Variables, locate the Variables section. // Click Load from File. // Browse to the model's Application Library folder and double-click the file cubic_autocatalysis_variables.txt. // To import content from file, use: // model.component("comp2").variable("var1").loadFile("FILENAME"); model.component("comp2").variable("var1").set("cA0", "c0*(0.4201+0.2*(sa1+sa2+sb+sc))", "Initial conc. A"); model.component("comp2").variable("var1").set("cB0", "c0*0.34 - 0.1*cA0", "Initial conc. B"); model.component("comp2").variable("var1").set("ra", "sqrt((x-0.5)^2+(y-0.5)^2)", "radius a (from center)"); model.component("comp2").variable("var1") .set("rb", "sqrt((x-0.25)^2+(y-0.97)^2)", "radius b (from 1st smaller loci)"); model.component("comp2").variable("var1") .set("rc", "sqrt((x-0.75)^2+(y-0.97)^2)", "radius c (from 2nd smaller loci)"); model.component("comp2").variable("var1").set("sa1", "exp(-(20*(ra-0.13*l))^4/l^4)", "inner annular front"); model.component("comp2").variable("var1").set("sa2", "exp(-(20*(ra-0.3*l))^4/l^4)", "outer annular front"); model.component("comp2").variable("var1").set("sb", "exp(-(20*(rb-0.11*l))^4/l^4)", "satellite b"); model.component("comp2").variable("var1").set("sc", "exp(-(20*(rc-0.11*l))^4/l^4)", "satellite c"); // In the Model Builder window, expand the Component 2 (comp2) node. // Right-click Component 2 (comp2) > Geometry 1(2D) and choose Square. model.component("comp2").geom("geom1").create("sq1", "Square"); // In the Settings window for Square, locate the Size section. // In the Side length text field, type 2*l. model.component("comp2").geom("geom1").feature("sq1").set("size", "2*l"); // Locate the Position section. // In the x text field, type -l/2. model.component("comp2").geom("geom1").feature("sq1").set("pos", new String[]{"-l/2", "0"}); // In the y text field, type -l/2. model.component("comp2").geom("geom1").feature("sq1").set("pos", new String[]{"-l/2", "-l/2"}); model.component("comp2").geom("geom1").run(); // In the Model Builder window, expand the Component 2 (comp2) > Chemistry (chem) node, then click Chemistry (chem). // In the Settings window for Chemistry, click to expand the Calculate Transport Properties section. // Clear the Calculate mixture properties checkbox. model.component("comp2").physics("chem").prop("calcTransport").set("calcTransport", false); // In the Model Builder window, under Component 2 (comp2) > Chemistry (chem), click Species: B. // In the Settings window for Species, locate the Chemical Formula section. // Clear the Enable formula checkbox. // In the Model Builder window, expand the Component 2 (comp2) > Transport of Diluted Species (tds) node, then click Initial Values 1. // In the Settings window for Initial Values, locate the Initial Values section. // In the \[cA\] text field, type cA0. model.component("comp2").physics("tds").feature("init1").setIndex("initc", "cA0", 0); // In the \[cB\] text field, type cB0. model.component("comp2").physics("tds").feature("init1").setIndex("initc", "cB0", 1); // In the Physics toolbar, click Boundaries and choose Periodic Condition. model.component("comp2").physics("tds").create("pc1", "PeriodicCondition", 1); // Select Boundaries 2, 3. model.component("comp2").physics("tds").feature("pc1").selection().set(2, 3); // In the Physics toolbar, click Boundaries and choose Periodic Condition. model.component("comp2").physics("tds").create("pc2", "PeriodicCondition", 1); // Select Boundaries 1, 4. model.component("comp2").physics("tds").feature("pc2").selection().set(1, 4); // In the Model Builder window, click Fluid 1. // In the Settings window for Fluid, locate the Diffusion section. // In the \[D_{\textrm{cA}}\] text field, type DA. model.component("comp2").physics("tds").feature("cdm1") .set("D_cA", new String[]{"DA", "0", "0", "0", "DA", "0", "0", "0", "DA"}); // In the \[D_{\textrm{cB}}\] text field, type DB. model.component("comp2").physics("tds").feature("cdm1") .set("D_cB", new String[]{"DB", "0", "0", "0", "DB", "0", "0", "0", "DB"}); // In the Mesh toolbar, click Mapped. model.component("comp2").mesh("mesh1").create("map1", "Map"); // Right-click Mapped 1 and choose Distribution. model.component("comp2").mesh("mesh1").feature("map1").create("dis1", "Distribution"); // In the Settings window for Distribution, locate the Distribution section. // In the Number of elements text field, type 200. model.component("comp2").mesh("mesh1").feature("map1").feature("dis1").set("numelem", 200); // Locate the Boundary Selection section. // From the Selection list, select All boundaries. model.component("comp2").mesh("mesh1").feature("map1").feature("dis1").selection().all(); // Click Build All. return model; } public static Model run2(Model model) { model.component("comp2").mesh("mesh1").run(); // In the Study toolbar, click Parametric Sweep. model.study("std2").create("param", "Parametric"); // In the Settings window for Parametric Sweep, locate the Study Settings section. // Click Add. model.study("std2").feature("param").setIndex("pname", "k", 0); model.study("std2").feature("param").setIndex("plistarr", "", 0); model.study("std2").feature("param").setIndex("punit", "1/s", 0); model.study("std2").feature("param").setIndex("pname", "k", 0); model.study("std2").feature("param").setIndex("plistarr", "", 0); model.study("std2").feature("param").setIndex("punit", "1/s", 0); // In the table, enter the following settings: model.study("std2").feature("param").setIndex("plistarr", "0.0609 0.06105 0.0611", 0); model.study("std2").feature("param").setIndex("punit", "1/s", 0); // In the Study toolbar, click Show Default Plots. model.study("std2").createAutoSequences("sol"); model.study("std2").createAutoSequences("jobs"); model.sol().create("sol15"); model.sol("sol15").study("std2"); model.sol("sol15").label("Parametric Solutions 2"); model.batch("p2").feature("so1").set("psol", "sol15"); model.result().create("pg2", "PlotGroup2D"); model.result("pg2").set("data", "dset6"); model.result("pg2").label("Concentration, A (tds)"); model.result("pg2").set("titletype", "custom"); model.result("pg2").set("prefixintitle", ""); model.result("pg2").set("expressionintitle", false); model.result("pg2").set("typeintitle", false); model.result("pg2").create("surf1", "Surface"); model.result("pg2").feature("surf1").set("expr", new String[]{"cA"}); model.result("pg2").feature("surf1").set("colortable", "Prism"); model.result("pg2").set("typeintitle", true); model.result("pg2").create("arws1", "ArrowSurface"); model.result("pg2").feature("arws1").set("expr", new String[]{"tds.tflux_cAx", "tds.tflux_cAy"}); model.result("pg2").feature("arws1").set("xnumber", 10); model.result("pg2").feature("arws1").set("ynumber", 10); model.result("pg2").feature("arws1").set("color", "black"); model.result("pg2").feature("arws1").create("sel1", "Selection"); model.result("pg2").feature("arws1").feature("sel1").selection().set(1); model.result().create("pg3", "PlotGroup2D"); model.result("pg3").set("data", "dset6"); model.result("pg3").label("Concentration, B (tds)"); model.result("pg3").set("titletype", "custom"); model.result("pg3").set("prefixintitle", ""); model.result("pg3").set("expressionintitle", false); model.result("pg3").set("typeintitle", false); model.result("pg3").create("surf1", "Surface"); model.result("pg3").feature("surf1").set("expr", new String[]{"cB"}); model.result("pg3").feature("surf1").set("colortable", "Prism"); model.result("pg3").set("typeintitle", true); model.result("pg3").create("arws1", "ArrowSurface"); model.result("pg3").feature("arws1").set("expr", new String[]{"tds.tflux_cBx", "tds.tflux_cBy"}); model.result("pg3").feature("arws1").set("xnumber", 10); model.result("pg3").feature("arws1").set("ynumber", 10); model.result("pg3").feature("arws1").set("color", "black"); model.result("pg3").feature("arws1").create("sel1", "Selection"); model.result("pg3").feature("arws1").feature("sel1").selection().set(1); model.result("pg2").run(); model.result("pg2").run(); // In the Model Builder window, expand the Concentration, A (tds) node. // Right-click Arrow Surface 1 and choose Delete. model.result("pg2").feature().remove("arws1"); model.result("pg2").run(); model.result("pg3").run(); // In the Model Builder window, right-click Concentration, B (tds) and choose Delete. model.result().remove("pg3"); model.result("pg2").run(); // In the Model Builder window, under Results, click Concentration, A (tds). // In the Settings window for 2D Plot Group, click to expand the Plot Array section. // From the Array type list, select Square. model.result("pg2").set("plotarraytype", "square"); model.result("pg2").run(); // In the Model Builder window, under Results > Concentration, A (tds), click Surface 1. // In the Settings window for Surface, type cA in the Label text field. model.result("pg2").feature("surf1").label("cA"); // Click to expand the Plot Array section. // Select the Manual indexing checkbox. model.result("pg2").feature("surf1").set("manualindexing", true); // In the Column index text field, type 1. model.result("pg2").feature("surf1").set("colindex", 1); // Right-click cA and choose Height Expression. model.result("pg2").feature("surf1").create("hght1", "Height"); model.result("pg2").run(); // In the Settings window for Height Expression, locate the Axis section. // Select the Scale factor checkbox. model.result("pg2").feature("surf1").feature("hght1").set("scaleactive", true); // In the associated text field, type 1.0. model.result("pg2").feature("surf1").feature("hght1").set("scale", "1.0"); model.result("pg2").run(); // In the Model Builder window, click cA. // In the Settings window for Surface, locate the Coloring and Style section. // From the Color table list, select Cividis. model.result("pg2").feature("surf1").set("colortable", "Cividis"); // Right-click cA and choose Duplicate. model.result("pg2").feature().duplicate("surf2", "surf1"); model.result("pg2").run(); // In the Settings window for Surface, type cB in the Label text field. model.result("pg2").feature("surf2").label("cB"); // Locate the Expression section. // In the Expression text field, type cB. model.result("pg2").feature("surf2").set("expr", "cB"); // Locate the Coloring and Style section. // From the Color table list, select Viridis. model.result("pg2").feature("surf2").set("colortable", "Viridis"); // Locate the Plot Array section. // In the Column index text field, type 0. model.result("pg2").feature("surf2").set("colindex", 0); // In the Model Builder window, under Study 2, click Step 1: Time Dependent. // In the Settings window for Time Dependent, locate the Study Settings section. // In the Output times text field, type range(0, 1, 10-1) range(10, 10, 300-10) range(300, 100, 1000-100) range(1e3, 1e3, 2e4-1e3) range(2e4, 2.5e3, 5e4-2.5e3) range(5e4, 1e4, 1e5-1e4) range(1e5, 2.5e4, 6e5). model.study("std2").feature("time") .set("tlist", "range(0, 1, 10-1) range(10, 10, 300-10) range(300, 100, 1000-100) range(1e3, 1e3, 2e4-1e3) range(2e4, 2.5e3, 5e4-2.5e3) range(5e4, 1e4, 1e5-1e4) range(1e5, 2.5e4, 6e5)"); // From the Tolerance list, select User controlled. model.study("std2").feature("time").set("usertol", true); // In the Relative tolerance text field, type 0.001. model.study("std2").feature("time").set("rtol", 0.001); // Click to expand the Results While Solving section. // Select the Plot checkbox. model.study("std2").feature("time").set("plot", true); // In the table, enter the following settings: model.study("std2").feature("time").setIndex("plotgrouparr", "pg2", 0); // In the Study toolbar, click Compute. model.study("std2").createAutoSequences("all"); model.batch("p2").run("compute"); model.result("pg2").run(); // In the Settings window for 2D Plot Group, click to expand the Title section. // From the Title type list, select None. model.result("pg2").set("titletype", "none"); // Locate the Color Legend section. // Select the Show units checkbox. model.result("pg2").set("showlegendsunit", true); // From the Position list, select Alternating. model.result("pg2").set("legendpos", "alternating"); // In the Concentration, A (tds) toolbar, click Animation and choose Player. model.result().export().create("anim1", "Animation"); model.result().export("anim1").set("target", "player"); model.result().export("anim1").set("plotgroup", "pg2"); model.result().export("anim1").run(); // In the Settings window for Animation, locate the Frames section. // From the Frame selection list, select All. model.result().export("anim1").set("framesel", "all"); // Click the Play button in the Graphics toolbar. model.result().export("anim1").run(); // Locate the Animation Editing section. // From the Parameter value (k (1/s)) list, select 0.06105. model.result().export("anim1").setIndex("singlelooplevel", 2, 1); // Click the Play button in the Graphics toolbar. model.result().export("anim1").run(); model.title("Cubic Autocatalysis: Exploring the Gray\u2013Scott Model"); model .description("A deceptively simple system of two species and two reactions, describing the autocatalytic conversion of a substance, is shown to display a surprisingly exotic behavior. Starting from a 0D CSTR description, a 2D reaction\u2013diffusion problem is formulated showing rich patterns stemming from the multistability of the underlying reaction network."); return model; } public static void main(String[] args) { Model model = run(); run2(model); } }