last modified: 01-MAY-1970 | catalog | categories | new | search |

NEA-0290 CARBOX.

CARBOX, Equilibrium of Non-Stoichiometric Mixtures of Oxides, Carbides, Methane

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1. NAME OR DESIGNATION OF PROGRAM:  CARBOX.
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2. COMPUTERS
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Program name Package id Status Status date
CARBOX NEA-0290/01 Tested 01-MAY-1970

Machines used:

Package ID Orig. computer Test computer
NEA-0290/01 IBM 360 series IBM 360 series
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3. NATURE OF PHYSICAL PROBLEM SOLVED

Numerical evaluation of equilibria involving CO-CO2-H2-H2O-CH4 mixtures and non-stoichiometric oxides and carbides.
In any particular case, certain of the following will be known:
Temperature.
Total gas pressure.
Equilibrium partial pressures of H2, H2O, CO, CO2.
Equilibrium composition of the gas phase (in terms of the relative atom concentrations of oxygen and carbon).
Oxygen potential and carbon activity of the system.
Usually four of these define the equilibrium. The programme provides solutions for 16 different combinations of known parameters, printing out numerical values for the parameters listed above plus the equilibrium partial pressure of CH4.
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4. METHODS: METHOD OF SOLUTION
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5. RESTRICTIONS ON THE COMPLEXITY OF THE PROBLEM
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6. TYPICAL RUNNING TIME:  About 10 sec/case on IBM 360/30.
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7. UNUSUAL FEATURES: UNUSUAL FEATURES OF THE PROGRAM
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8. RELATED AND AUXILIARY PROGRAMS:  Overlay sub-routine to control overlay structure.
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9. STATUS
Package ID Status date Status
NEA-0290/01 01-MAY-1970 Tested at NEADB
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10. REFERENCES

REFERENCES.
- E. D. Hyam and Mrs S. Timperley:
  "CARBOX - A Computer Programme for the Numerical Evaluation of
   Equilibria Involving CO-CO2-H2-H2O-CH4 Mixtures and Non-
   Stoichiometric Oxides and Carbides"
  TRG Report 1864(W).
- Mrs. S. Timperley:
  A Users' Guide to "CARBOX" Numerical Evaluation of Equilibria
Involving CO-CO2-H2-H2O-CH4 Mixtures and Non-Stoichiometric Oxides    and Carbides
  TRG Report 1567(W).
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11. MACHINE REQUIREMENTS:  I.B.M. 360/30 with 32k background store.
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12. PROGRAMMING LANGUAGE(S) USED
Package ID Computer language
NEA-0290/01 FORTRAN-IV
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13. OPERATING SYSTEM OR MONITOR UNDER WHICH PROGRAM IS EXECUTED:  OS/360.
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14. OTHER PROGRAMMING OR OPERATING INFORMATION OR RESTRICTIONS

ANY OTHER PROGRAMMING OR OPERATING INFORMATION OR RESTRICTIONS
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15. NAME AND ESTABLISHMENT OF AUTHOR

       Reactor Development Laboratory
       UKAEA
       Windscale, Sellafield
       Cumberland, United Kingdom
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16. MATERIAL AVAILABLE
NEA-0290/01
File name File description Records
NEA0290_01.001 SOURCE & DATA & CONTROL CARDS IBM 360 3272
NEA0290_01.002 OUTPUT 4863
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17. CATEGORIES
  • Q. Materials.
  • U. Chemistry

Keywords: gases, pressure, thermodynamics.