Skip to content

Commit

Permalink
add nitric acid (#1229)
Browse files Browse the repository at this point in the history
  • Loading branch information
@EvenSol
EvenSol authored Jan 3, 2025
1 parent 5401c8a commit c78f834
Show file tree
Hide file tree
Showing 3 changed files with 25 additions and 2 deletions.
3 changes: 2 additions & 1 deletion src/main/resources/data/COMP.csv
View file
Original file line number Diff line number Diff line change
Expand Up @@ -203,4 +203,5 @@
"1195","hydrochloric acid","7647-01-0","acid","1195","ClH","36.46094","1.172170470366168","51.53000000000003","83.135","0.129","-84.97739239499998","36.46094","84.2459983151","Classic","-92173.0","31.819437654599998","-0.024411253972799998","7.3084101642e-05","-8.5722080538e-08","3.6500478522e-11","pow10KPa","9.2949","745.78","-14.27","0.0","0.0","1.0","0.215","0.2653","0.0","3.339","344.7","0.11206604","3","0.0","0.0","0.0","0.0","0.0","8.16976","0.0","0.0","0.0","0.0","0","solute","900.0","0.0","0.0","0.0","0.0","0.0","0.0","0.0","0.0","0.0","207.0","6400.0","1172.170470366168","0.138284046785","159.07","203.55","-92173.0","186.9","2.92","0.0","0.0","0.0","0.0","2.92","0.0","0.0","0.0","0.0","16627.718180817672","0.0","0.0","0.0","0.0","0.0","0.0","0.0","0.0","0.0","0.0","0.0","0.0","0.0","0.0","0","1A","0.0","0.0","0.0155","41917","56336","3","0.3338","0.0","0.0","0.0","0.044900000","1","0.0","0.0","0.0","2100.0","1.496671323296127e-05","0.0","0.0","0.0","0.0","0.0","0.0","0.0","0.0","no","0.0","0.0","0.0","0.0","0.0","0.0","0.0","0.0","0.0","0","0.0","0.0","0.0","0.0","0.0","0.0","0.0","0.0","0.0","0.0","0.0","0.0","0.0","0.0","0.0","0.0","0.0","0.0","0.0","0.0","0.0","0.0"
"1196","sulfuric acid","7664-93-9","acid","1196","H2O4S","98.07848","1.5331460079326602","650.850000000000","64.0000000000000","0.481623142957687","337.0","298.07848","177.70000000000002","Classic","-735120.0","37.978352","-0.07461815","0.0003018813","0","0","pow10KPa","0","0","0","0.0","0.0","0.000000000","0.000000000","0.000000000","0.000000000","2.520000000","155.809006022","0.406998625","3","-26.870000000","1150.000000000","0.187000000","-0.000521000","-50500.000000000","2.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0","solute","900.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.303000000","-0.000605000","-0.000003200","77.300000000","941.000000000","452.000000000","0.116656057","90.690000000","90.650000000","-74520.000000000","186.000000000","33.022000000","-0.015870000","-0.000155000","0.000000000","0.000000000","2.920000000","0.290000000","191.000000000","0.289000000","0.000000000","8170.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.100000000","0.585700000","-0.720600000","1.289900000","0.000000000","0.000000000","0.000000000","0.122841598","0.914470789","2.741978611","0","1A","0.000000000","0.000000000","0.000000000","41917","56336","3","0.3338","0.000000000","0.000000000","0.000000000","4.186260000","1","1.000000000","-6.680820000","0.000000000","9700","0.000015293","0.047920000","1594.000000000","0.012440000","2952.000000000","0.002317000","2777.000000000","1.076000000","1323.000000000","yes","1.000000000","3.703900119","150.029998779","0.000000000","0.000000000","3.190710941","155.809006022","0.406998625","1.000000000","0","900.000000000","0.000621000","2760.000000000","0.421000000","1963.100000000","0.004048680","2636.750000000","0.295270000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.392340000","0.000000000","0.000000000","77.300000000"
"1197","SO2","7446-09-5","other","1197","O2S","64.0638","1.41228792396165","157.49","78.866","0.256","-10.01298464599995","64.0638","123.793018074","Classic","-296800.0","36.7249689366","-0.0185745031932","0.00019489093771199998","-2.71965980058e-07","1.15820425014e-10","pow10KPa","9.4072","999.9","-35.96","0.0","0.0","0.000000000","0.000000000","0.000000000","0.000000000","2.520000000","155.809006022","0.406998625","3","-26.870000000","1150.000000000","0.187000000","-0.000521000","-50500.000000000","2.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0","solute","900.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.303000000","-0.000605000","-0.000003200","77.300000000","941.000000000","452.000000000","0.116656057","90.690000000","90.650000000","-74520.000000000","186.000000000","33.022000000","-0.015870000","-0.000155000","0.000000000","0.000000000","2.920000000","0.290000000","191.000000000","0.289000000","0.000000000","8170.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.100000000","0.585700000","-0.720600000","1.289900000","0.000000000","0.000000000","0.000000000","0.122841598","0.914470789","2.741978611","0","0","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","4.186260000","1","1.000000000","-6.680820000","0.000000000","9700","0.000015293","0.047920000","1594.000000000","0.012440000","2952.000000000","0.002317000","2777.000000000","1.076000000","1323.000000000","yes","1.000000000","3.703900119","150.029998779","0.000000000","0.000000000","3.190710941","155.809006022","0.406998625","1.000000000","0","900.000000000","0.000621000","2760.000000000","0.421000000","1963.100000000","0.004048680","2636.750000000","0.295270000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.392340000","0.000000000","0.000000000","77.300000000"
"1198","NO2","10102-44-0","other","1198","NO2","46.0055","1.67105434446441","157.85000000000002","101.325","0.8555","21.150000000000034","46.0055","82.0","Classic","34017.0","37.978352","-0.07461815","0.0003018813","0","0","pow10KPa","0","0","0","0.0","0.0","0.000000000","0.000000000","0.000000000","0.000000000","2.520000000","155.809006022","0.406998625","3","-26.870000000","1150.000000000","0.187000000","-0.000521000","-50500.000000000","2.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0","solute","900.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.303000000","-0.000605000","-0.000003200","77.300000000","941.000000000","452.000000000","0.116656057","90.690000000","90.650000000","-74520.000000000","186.000000000","33.022000000","-0.015870000","-0.000155000","0.000000000","0.000000000","2.920000000","0.290000000","191.000000000","0.289000000","0.000000000","8170.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.100000000","0.585700000","-0.720600000","1.289900000","0.000000000","0.000000000","0.000000000","0.122841598","0.914470789","2.741978611","0","0","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","4.186260000","1","1.000000000","-6.680820000","0.000000000","9700","0.000015293","0.047920000","1594.000000000","0.012440000","2952.000000000","0.002317000","2777.000000000","1.076000000","1323.000000000","yes","1.000000000","3.703900119","150.029998779","0.000000000","0.000000000","3.190710941","155.809006022","0.406998625","1.000000000","0","900.000000000","0.000621000","2760.000000000","0.421000000","1963.100000000","0.004048680","2636.750000000","0.295270000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.392340000","0.000000000","0.000000000","77.300000000"
"1198","NO2","10102-44-0","other","1198","NO2","46.0055","1.67105434446441","157.85000000000002","101.325","0.8555","21.150000000000034","46.0055","82.0","Classic","34017.0","37.978352","-0.07461815","0.0003018813","0","0","pow10KPa","0","0","0","0.0","0.0","0.000000000","0.000000000","0.000000000","0.000000000","2.520000000","155.809006022","0.406998625","3","-26.870000000","1150.000000000","0.187000000","-0.000521000","-50500.000000000","2.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0","solute","900.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.303000000","-0.000605000","-0.000003200","77.300000000","941.000000000","452.000000000","0.116656057","90.690000000","90.650000000","-74520.000000000","186.000000000","33.022000000","-0.015870000","-0.000155000","0.000000000","0.000000000","2.920000000","0.290000000","191.000000000","0.289000000","0.000000000","8170.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.100000000","0.585700000","-0.720600000","1.289900000","0.000000000","0.000000000","0.000000000","0.122841598","0.914470789","2.741978611","0","0","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","4.186260000","1","1.000000000","-6.680820000","0.000000000","9700","0.000015293","0.047920000","1594.000000000","0.012440000","2952.000000000","0.002317000","2777.000000000","1.076000000","1323.000000000","yes","1.000000000","3.703900119","150.029998779","0.000000000","0.000000000","3.190710941","155.809006022","0.406998625","1.000000000","0","900.000000000","0.000621000","2760.000000000","0.421000000","1963.100000000","0.004048680","2636.750000000","0.295270000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.392340000","0.000000000","0.000000000","77.300000000"
"1199","nitric acid","7697-37-2","acid","1199","HNO3","63.01284","1.358835620266826","246.85000000000002","68.901","0.7144","83.0","63.01284","133.0","Classic","-134160.0","37.978352","-0.07461815","0.0003018813","0","0","pow10KPa","0","0","0","0.0","0.0","0.000000000","0.000000000","0.000000000","0.000000000","2.520000000","155.809006022","0.406998625","3","-26.870000000","1150.000000000","0.187000000","-0.000521000","-50500.000000000","2.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0","solute","900.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.303000000","-0.000605000","-0.000003200","77.300000000","941.000000000","452.000000000","0.116656057","90.690000000","90.650000000","-74520.000000000","186.000000000","33.022000000","-0.015870000","-0.000155000","0.000000000","0.000000000","2.920000000","0.290000000","191.000000000","0.289000000","0.000000000","8170.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.100000000","0.585700000","-0.720600000","1.289900000","0.000000000","0.000000000","0.000000000","0.122841598","0.914470789","2.741978611","0","1A","0.000000000","0.000000000","0.000000000","41917","56336","3","0.3338","0.000000000","0.000000000","0.000000000","4.186260000","1","1.000000000","-6.680820000","0.000000000","9700","0.000015293","0.047920000","1594.000000000","0.012440000","2952.000000000","0.002317000","2777.000000000","1.076000000","1323.000000000","yes","1.000000000","3.703900119","150.029998779","0.000000000","0.000000000","3.190710941","155.809006022","0.406998625","1.000000000","0","900.000000000","0.000621000","2760.000000000","0.421000000","1963.100000000","0.004048680","2636.750000000","0.295270000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.000000000","0.392340000","0.000000000","0.000000000","77.300000000"
3 changes: 2 additions & 1 deletion src/main/resources/data/INTER.csv
View file
Original file line number Diff line number Diff line change
Expand Up @@ -1364,4 +1364,5 @@
8821,"nC10","nitrogen","Classic",0.079999998,0.000000000,0,0.079999998,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0,0.000000000,0.000000000,0.000000000,"Classic",0.500000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0,0.000000000,0.000000000
8822,"n-butane","water","HV",0.500000000,0.000000000,0,0.500000000,0.000000000,0.000000000,0.145000000,681.000000000,2507.000000000,0,0.000000000,0.000000000,0.000000000,"WS",0.520000000,0.145000000,681.000000000,2507.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0,0.000000000,0.000000000
8823,"ammonia","water","Classic",-0.078900000,0.000000000,0,-0.078900000,0.000000000,0.000000000,0.357000000,410.670000000,-169.630000000,0,0.000000000,0.000000000,0.000000000,"WS",0.093103947,0.303000000,-48.680000000,610.600000000,0.000000000,1.890000000,-1.110000000,0.000000000,0.000000000,-0.153000000,0.000000000,-0.153000000,-0.153000000,-0.153000000,0.000000000,0.000000000,0.000000000,0,0.000000000,0.000000000
8824,"CO2","sulfuric acid","Classic",0.3012,0.000000000,0,0.3012,0.000000000,0.000000000,0.357000000,410.670000000,-169.630000000,0,0.000000000,0.000000000,0.000000000,"WS",0.093103947,0.303000000,-48.680000000,610.600000000,0.000000000,1.890000000,-1.110000000,0.000000000,0.000000000,0.3012,0.000000000,0.3012,0.3012,0.3012,0.000000000,0.000000000,0.000000000,0,0.000000000,0.000000000
8824,"CO2","sulfuric acid","Classic",0.3012,0.000000000,0,0.3012,0.000000000,0.000000000,0.357000000,410.670000000,-169.630000000,0,0.000000000,0.000000000,0.000000000,"WS",0.093103947,0.303000000,-48.680000000,610.600000000,0.000000000,1.890000000,-1.110000000,0.000000000,0.000000000,0.3012,0.000000000,0.3012,0.3012,0.3012,0.000000000,0.000000000,0.000000000,0,0.000000000,0.000000000
8824,"CO2","nitric acid","Classic",0.4012,0.000000000,0,0.3012,0.000000000,0.000000000,0.357000000,410.670000000,-169.630000000,0,0.000000000,0.000000000,0.000000000,"WS",0.093103947,0.303000000,-48.680000000,610.600000000,0.000000000,1.890000000,-1.110000000,0.000000000,0.000000000,0.4012,0.000000000,0.4012,0.4012,0.4012,0.000000000,0.000000000,0.000000000,0,0.000000000,0.000000000
21 changes: 21 additions & 0 deletions src/test/java/neqsim/thermo/component/NewComponentTest.java
View file
Original file line number Diff line number Diff line change
Expand Up @@ -145,5 +145,26 @@ public void testComponentsulfuric_acid() {
}
assertEquals(3.447289881042099E-6,
thermoSystem.getPhase(0).getComponent("sulfuric acid").getx(), 100e-9);


thermoSystem = new SystemSrkEos(273.15 + 25.0, 100.6);
thermoSystem.addComponent("nitric acid", 1.0);
thermoSystem.addComponent("CO2", 1.0);
thermoSystem.createDatabase(true);
thermoSystem.setMixingRule("classic");

// thermoSystem.setMultiPhaseCheck(true);
// ((PhaseEos) thermoSystem.getPhase(0)).getMixingRule().setBinaryInteractionParameter(0, 1,
// 0.4012);
// ((PhaseEos) thermoSystem.getPhase(1)).getMixingRule().setBinaryInteractionParameter(0, 1,
// 0.4012);
ops = new ThermodynamicOperations(thermoSystem);
try {
ops.TPflash();
} catch (Exception e) {
System.out.println("error in bubble point flash");
}

assertEquals(0.002568785, thermoSystem.getPhase(0).getComponent("nitric acid").getx(), 100e-6);
}
}

0 comments on commit c78f834

Please sign in to comment.