** AsTher Thermodynamic Database and Applications**

**AsTher Process Calculator
for MS Excel**

5.5. Example for inverse Calculation using AsTher
Process Calculator for MS Excel

Download InverseCalculation.xls

A system consists of the elements C, O, H, N.

Compounds | Part. Pressure [bar] |

CH4 | 0.09 |

CO2 | 0.05 |

H2O | 0.15 |

H2 | 0.2 |

N2 | 0.5 |

The average temperature is expected between 300 C and 800 C.

Based on these measurements, the partial pressures for CO- and NOx- as well as the temperature of the system 1 bar will be estimated as follows:

5.5.**1. Sheet for gas and solid phases.**

Column A: compounds.

Column B: measured partial pressure.

Column C: when a measurement is to use as reference, then latter "**x**"
written in the cells.

Column D is written by application, while the calculation.

5.5.**2. Sheet for Conditions
**enter in the cell

B2: Temperature of the thermodynamic system is given by user in depend
of the calculations count

B3: Pressure of the thermodynamic system

B4,C4: Phases of the systems, two sheets are created as Gas and Solid.

B5, **BCD**

First letter **B**: Column B in the sheet Gas
contains **measurements **

Second letter **C:** Colmmn C in the sheet Gas
contains **references**

Third letter **D**: **Calculation results** are
to write in the column D

C5: similar to B5

B6: calculation count is written by application after each calculation

C6: given by user: when B6<C6, then a following calculation executed.

C7: Statistical correlation coefficient of the calculation result written
by application.

1: Measurements values are exact consistent.

0: thermodynamic equilibrium is not possible.

B11: MS Excel file (book) for following calculation '*' mains the same MS
Excel book.

B12: Condition sheet of the following calculation, '*' mains the same sheet.

B13: Sheet name, in which the calculation results are to write, the sheet must
exists in the same MS Excel book.

Cells [B14] to [B16]: the cells contain links to another cells in a sheet, which
data are recorded in the sheet **corr**.

5.5.**3. Calculation
**Execute

(1) Select as MS Excel file

(2) Select as condition sheet

5.5.**4. Calculation Results
**Calculation results are written by application in the columns A, B and C in
the sheet

Calculations result is 500 C and 1 bar.