http://Evgenii.Rudnyi.Ru Calculation of equilibrium composition in the system 0.2O + 0.8N + 10e-5K + zH + yC + xMo Evgenii Rudnyi (c) All rights reserved This program is written as a supplementary material to the paper N.N. Pilyugin, E.B. Rudnyi. Influence of ablation on the electron concentration in the air plasma. Chemistry Department Moscow State University 119899 Moscow Russia FILES MO.DAT data file (mole Gibbs energies) - should reside in the current directory MO.EXE program to calculate equilibrium composition READ_RUS.TXT manual in Russian READ_ENG.TXT manual in English SYSTEM REQUIREMENT IBM-PC compatible computer under MS-DOS (version > 3.3). The more powerful computer the quicker the program is running. INPUT Composition vs T or composition vs x? (T or x) Press T to calculate the dependence of the concentrations vs temperature or x to calculate the dependence of the concentrations vs the amount of molybdenum. If computing of the concentrations-temperature dependence is chosen, then: File Name to save results?(default NUL) Type in a name of the file without extension to put the results. By default the results are not written to disk but the file TSIV.TMP (see below). Pressure? (Default 760 mm) Type in the pressure in torr required (default 760 torr). H, C, Mo? Type in mole numbers of hydrogen, carbon and molybdenum (format 3F10.0, commas may be used as separators) are to add to the system. By default these numbers are zeros (almost zeros due to the computer limitations). After the user's answers, the program loads the file MO.DAT and computes the equilibrium compositions of the system in question at temperatures from 1600 to 5600 K with the step 200 K. If computing of the concentrations vs amount of molybdenum dependence is chosen, then: File Name to save results?(default NUL) Pressure? (Default 760 mm) The first two questions are the same as above. H and C? Type in mole numbers of hydrogen and carbon (format 2F10.0, commas may be used as separators) are to add to the system. By default these numbers are zeros (almost zeros due to the computer limitations). Temperature? Type in the temperature in K required. Numbers from 1600 to 5600 K (1600, 1800 and so on, the step 200) only are allowed. After the user's answers, the program loads the file MO.DAT and computes the equilibrium compositions of the system in question at the given temperature with the amount of molybdenum varying from 10e-8 to 0.2. OUTPUT File TSIV.TMP This file is the standard output of the VCS subroutine. The full information on input and computed values for each equilibrium composition is presented. The file is gotten to be quite long - about 600 Kb. File This file, where NAME is user's input, contains input values for the conducted calculation. File This file contains all the equilibrium concentrations (dimension is number of particle in cubic centimeter) at all the temperatures or at all the amounts of molybdenum. For condensed substances if they are formed, the concentration of microparticles is given under assumption that their radius is 0.035 micrometers. The concentrations are written in the table where different rows correspond to different temperatures (amounts of molybdenum) and columns does to different compounds. If the compound was not taken in account in a calculation the word MISSING is written in the cell. If concentration is zero it means either the real zero or that the equilibrium amount of the compound is below 10e-30 mole. Consult the file TSIV.TMP for the exact answer. It is assumed that the file are to be imported to plotting software to draw all the graphs required. To this end (such software often does not like symbols +, - and [ in the name fields) the name of a substance is slightly changed as compared with the file MO.DAT: symbols [] are changed to _ symbol + is changed to p symbol - is changed to n