Supporting Information for Cent. Eur. J. Energ. Mater. 2024, 21(2): 153-170 DOI: 10.22211/cejem/190419 Ideal Specific Impulse of Solid Rocket Propellants Based on AP/GAP/closo-Dodecaborate ([B12H12]2‒) Salts Muddamarri Hanumantha Rao*), Dilip M. Badgujar *) E-mail: chemistryanesh@gmail.com **************************************************************************** Supporting Information is available in PDF-format at: https://ipo.lukasiewicz.gov.pl/wydawnictwa/cejem-woluminy/vol-21-nr-2/ Supporting Information is available under the Creative Commons Attribution-Noncommercial-NoDerivs 3.0 license CC BY-NC-ND 3.0. Please note: 1) The publisher is not responsible for the content of the section Supporting Information. 2) Any queries should be directed to the corresponding Author mentioned above. **************************************************************************** 6/10/2023 11:45:14 AM ============== RESULTS OF THERMOCHEMICAL CALCULATION: --------------------------------------- Job title : Test calculation Comment : Combustion condition: --------------------- Isobaric combustion (p=const.) Chamber pressure = 7.000 MPa Ambient pressure = 0.100 MPa Expansion conditions: Equilibrium expansion Reactant information: ------------------------ 1. BAM-H-2, 6 % 2. Ammonium perchlorate (AP), 80 % 3. Glycidyl azide polymer (GAP), 14 % C(0.753) H(4.994) N(1.357) O(3.413) Cl(0.811) B(0.248) Molecular weight = 119.12 Oxygen balance = -7.464197 % Enthalpy of formation = -2377.20 kJ/kg Internal energy of formation = -2284.05 kJ/kg Parameters in combustion chamber: --------------------------------- - Heat of isobaric combustion = -4346.86 kJ/kg - Total enthalpy of combustion prod. = -2377.66 kJ/kg - Entropy of combustion products = 9.94 kJ/K kg - Isobaric combustion temperature = 2988.8 K - Mole number of gaseous products = 37.985 mol/kg expl. - Total mole number of products = 37.985 mol/kg expl. - Volume of gaseous products (at SATP) = 941.62 L/kg expl. - Mass of gaseous products = 999.9 g/kg expl. - Mass of condensed products = 0.0 g/kg expl. - Mean molecular mass of gaseous prod. = 26.324 g - Mean molecular mass of all products = 26.324 g - Specific gas constant = 315.811 J/kg K - Specific heat capacity at p=const. (Cp) = 1841.17 J/kgK - Specific heat capacity at V=const. (Cv) = 1525.35 J/molK - Specific heat ratio (Cp/Cv) = 1.2070 Composition of combustion products in chamber: ---------------------------------------------------------------------- Products mol/mol mol/kg Mol % ---------------------------------------------------------------------- H2O = 1.736061 E00 1.457429 E01 38.3681 HCl = 7.674423 E-01 6.442706 E00 16.9610 N2 = 6.745332 E-01 5.662731 E00 14.9077 CO = 3.845991 E-01 3.228724 E00 8.4999 CO2 = 3.679772 E-01 3.089182 E00 8.1326 H2 = 2.304067 E-01 1.934272 E00 5.0921 BHO2 = 2.236426 E-01 1.877488 E00 4.9427 OH = 4.418097 E-02 3.709009 E-01 0.9764 Cl = 4.292103 E-02 3.603236 E-01 0.9486 H = 1.951913 E-02 1.638638 E-01 0.4314 NO = 8.142551 E-03 6.835702 E-02 0.1800 B2O3 = 7.268352 E-03 6.101808 E-02 0.1606 BO2 = 6.653796 E-03 5.585887 E-02 0.1471 O2 = 5.932596 E-03 4.980436 E-02 0.1311 O = 2.138315 E-03 1.795123 E-02 0.0473 B(OH)3 = 2.095225 E-03 1.758949 E-02 0.0463 BO = 7.932337 E-04 6.659226 E-03 0.0175 Cl2 = 2.836666 E-04 2.381392 E-03 0.0063 ClO = 1.072920 E-04 9.007200 E-04 0.0024 CClO = 2.375158 E-05 1.993954 E-04 0.0005 NH3 = 1.168794 E-05 9.812071 E-05 0.0003 B = 3.576091 E-06 3.002141 E-05 0.0001 NH2 = 2.967383 E-06 2.491129 E-05 0.0001 N = 1.988640 E-06 1.669471 E-05 0.0000 BCl = 8.825928 E-07 7.409399 E-06 0.0000 CHNO = 7.979123 E-07 6.698503 E-06 0.0000 BCl3 = 6.522061 E-07 5.475294 E-06 0.0000 HCN = 6.380186 E-07 5.356189 E-06 0.0000 CNO = 3.252090 E-08 2.730141 E-07 0.0000 BH2 = 6.162804 E-09 5.173696 E-08 0.0000 CH4 = 4.198132 E-10 3.524347 E-09 0.0000 BN = 3.373851 E-10 2.832360 E-09 0.0000 CH3OH = 7.313387 E-11 6.139615 E-10 0.0000 CH2Cl2 = 3.231630 E-12 2.712965 E-11 0.0000 N2H4 = 4.179815 E-13 3.508970 E-12 0.0000 B2O3(l) = 1.060695 E-13 8.904570 E-13 0.0000 CHCl3 = 4.186099 E-14 3.514246 E-13 0.0000 B2O3(s) = 6.142899 E-15 5.156987 E-14 0.0000 B(l) = 2.035904 E-16 1.709149 E-15 0.0000 C2H6 = 1.577171 E-19 1.324041 E-18 0.0000 Parameters at the nozzle throat: --------------------------------- - Total enthalpy of combustion prod. = -2903.18 kJ/kg - Temperature at nozzle throat = 2774.3 K - Pressure at nozzle throat = 3.9 MPa - Mole number of gaseous products = 37.743 mol/kg expl. - Total mole number of products = 37.743 mol/kg expl. - Volume of gaseous products (at SATP) = 935.62 L/kg expl. - Mass of gaseous products = 999.9 g/kg expl. - Mass of condensed products = 0.0 g/kg expl. - Mean molecular mass of gaseous prod. = 26.493 g - Mean molecular mass of all products = 26.493 g - Specific gas constant = 313.799 J/kg K - Specific heat capacity at p=const. (Cp) = 1823.21 J/kgK - Specific heat capacity at V=const. (Cv) = 1509.41 J/molK - Specific heat ratio (Cp/Cv) = 1.2079 Characteristic parameters at the nozzle throat: ................................................. - Flow velocity at nozzle throat = 1025.2 m/s - Sound velocity at throat ) = 1025.4 m/s - Mach number at nozzle throat = 1.000 - Critical pressure ratio (pt/pc) = 0.560 - Pressure ratio (pc/pt) = 1.785 Composition of combustion products at nozzle throat: ---------------------------------------------------------------------- Products mol/mol mol/kg Mol % ---------------------------------------------------------------------- H2O = 1.747397 E00 1.466946 E01 38.8663 HCl = 7.813050 E-01 6.559084 E00 17.3781 N2 = 6.766803 E-01 5.680756 E00 15.0510 CO2 = 3.877924 E-01 3.255532 E00 8.6254 CO = 3.647973 E-01 3.062487 E00 8.1140 BHO2 = 2.286819 E-01 1.919793 E00 5.0864 H2 = 2.229056 E-01 1.871300 E00 4.9580 Cl = 2.937495 E-02 2.466037 E-01 0.6534 OH = 2.455850 E-02 2.061695 E-01 0.5462 H = 1.251226 E-02 1.050409 E-01 0.2783 B2O3 = 6.381651 E-03 5.357420 E-02 0.1419 NO = 3.856695 E-03 3.237710 E-02 0.0858 BO2 = 3.752013 E-03 3.149829 E-02 0.0835 O2 = 2.358940 E-03 1.980339 E-02 0.0525 B(OH)3 = 2.119816 E-03 1.779594 E-02 0.0471 O = 8.079652 E-04 6.782898 E-03 0.0180 BO = 4.080010 E-04 3.425183 E-03 0.0091 Cl2 = 1.670055 E-04 1.402017 E-03 0.0037 ClO = 3.780440 E-05 3.173694 E-04 0.0008 CClO = 1.104257 E-05 9.270277 E-05 0.0002 NH3 = 7.362812 E-06 6.181108 E-05 0.0002 NH2 = 1.215444 E-06 1.020370 E-05 0.0000 B = 8.502954 E-07 7.138261 E-06 0.0000 N = 5.909554 E-07 4.961093 E-06 0.0000 BCl3 = 4.511629 E-07 3.787529 E-06 0.0000 CHNO = 3.981343 E-07 3.342352 E-06 0.0000 BCl = 3.518262 E-07 2.953594 E-06 0.0000 HCN = 3.201859 E-07 2.687972 E-06 0.0000 CNO = 9.616322 E-09 8.072938 E-08 0.0000 BH2 = 1.900075 E-09 1.595120 E-08 0.0000 CH4 = 2.268248 E-10 1.904203 E-09 0.0000 BN = 6.378889 E-11 5.355101 E-10 0.0000 CH3OH = 2.679694 E-11 2.249613 E-10 0.0000 CH2Cl2 = 1.158015 E-12 9.721580 E-12 0.0000 B2O3(l) = 1.554009 E-13 1.304596 E-12 0.0000 N2H4 = 1.016945 E-13 8.537291 E-13 0.0000 CHCl3 = 1.221841 E-14 1.025740 E-13 0.0000 B2O3(s) = 8.866085 E-15 7.443111 E-14 0.0000 B(l) = 1.001866 E-16 8.410703 E-16 0.0000 C2H6 = 3.600375 E-20 3.022528 E-19 0.0000 Parameters at the nozzle exit: --------------------------------- - Total enthalpy of combustion prod. = -5319.36 kJ/kg - Temperature at nozzle exit = 1562.5 K - Pressure at nozzle throat = 0.1 MPa - Mole number of gaseous products = 37.032 mol/kg expl. - Total mole number of products = 37.265 mol/kg expl. - Volume of gaseous products (at SATP) = 917.98 L/kg expl. - Mass of gaseous products = 983.7 g/kg expl. - Mass of condensed products = 16.2 g/kg expl. - Mean molecular mass of gaseous prod. = 26.564 g - Mean molecular mass of all products = 26.834 g - Specific gas constant = 307.880 J/kg K - Specific heat capacity at p=const. (Cp) = 1649.74 J/kgK - Specific heat capacity at V=const. (Cv) = 1341.86 J/molK - Specific heat ratio (Cp/Cv) = 1.2294 Characteristic parameters at the nozzle exit: ................................................. - Specific impulse = 247.25 s - Exhaust (or nozzle exit) velocity = 2425.6 m/s - Characteristic exhaust velocity (c*) = 1466.4 m/s - Thrust coefficient (Cf) = 1.654 - Nozzle area expansion ratio (Ae/At) = 8.56 - Pressure ratio (pc/pe) = 70.000 - Sound velocity at nozzle exit = 762.29 m/s - Mach number at nozzle exit = 3.182 Composition of combustion products at the nozzle exit: ---------------------------------------------------------------------- Products mol/mol mol/kg Mol % ---------------------------------------------------------------------- H2O = 1.682901 E00 1.412802 E01 37.9127 HCl = 8.109720 E-01 6.808139 E00 18.2697 N2 = 6.786125 E-01 5.696977 E00 15.2879 CO2 = 4.911604 E-01 4.123310 E00 11.0650 H2 = 2.943201 E-01 2.470828 E00 6.6305 CO = 2.614411 E-01 2.194807 E00 5.8898 BHO2 = 1.721122 E-01 1.444888 E00 3.8774 B2O3(l) = 2.775863 E-02 2.330347 E-01 0.6254 B(OH)3 = 1.882139 E-02 1.580062 E-01 0.4240 B2O3 = 6.373659 E-04 5.350710 E-03 0.0144 Cl = 9.197424 E-05 7.721271 E-04 0.0021 H = 4.329312 E-05 3.634474 E-04 0.0010 OH = 7.902480 E-06 6.634161 E-05 0.0002 NH3 = 1.830426 E-06 1.536649 E-05 0.0000 BO2 = 9.574087 E-07 8.037481 E-06 0.0000 Cl2 = 2.205472 E-07 1.851501 E-06 0.0000 NO = 1.655354 E-07 1.389676 E-06 0.0000 BO = 6.656290 E-08 5.587980 E-07 0.0000 BCl3 = 5.092277 E-08 4.274985 E-07 0.0000 HCN = 9.827635 E-09 8.250336 E-08 0.0000 CClO = 8.503125 E-09 7.138405 E-08 0.0000 CHNO = 5.673225 E-09 4.762693 E-08 0.0000 O2 = 2.182684 E-09 1.832371 E-08 0.0000 O = 8.988866 E-10 7.546186 E-09 0.0000 NH2 = 5.350011 E-10 4.491354 E-09 0.0000 CH4 = 5.110946 E-10 4.290658 E-09 0.0000 ClO = 4.275527 E-11 3.589321 E-10 0.0000 BCl = 1.717010 E-11 1.441436 E-10 0.0000 B2O3(s) = 1.135558 E-11 9.533051 E-11 0.0000 CH3OH = 5.895837 E-13 4.949577 E-12 0.0000 N = 3.608070 E-13 3.028988 E-12 0.0000 B = 1.120021 E-13 9.402620 E-13 0.0000 CNO = 9.424084 E-14 7.911553 E-13 0.0000 BH2 = 6.989688 E-14 5.867869 E-13 0.0000 CH2Cl2 = 3.462525 E-15 2.906802 E-14 0.0000 N2H4 = 4.490283 E-18 3.769609 E-17 0.0000 CHCl3 = 1.105567 E-18 9.281276 E-18 0.0000 BN = 1.049354 E-18 8.809368 E-18 0.0000 B(l) = 3.101961 E-19 2.604107 E-18 0.0000 C2H6 = 9.315042 E-21 7.820012 E-20 0.0000 Notes: - DataBase: E:\Copy of MHR-2.xlsx - Activity : Model 1: Condensed products form pure phase (Default) **************************** NEW RUN **************************** Received: March 14, 2024 First published online: June 28, 2024