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HSC Chemistry offers a quick and easy way to solve chemical reaction problems on your personal computer.

HSC has a wide range of application possibilities in industry, research and education. All calculations utilize automatically integrated thermochemical database that includes more than 17000 compounds. See the full

species list pdf version (2703Kb) or zipped pdf version (622Kb)

Whats new in version 5.0. If you have an older version, check out the changes. The current version contains fourteen calculation modules displayed as fourteen options in the HSC main menu:

All these options automatically utilize the same HSC database which is equivalent to more than fifteen thick thermochemical data books. Computations are completely menu-driven, with on-line help immediately available by pressing the Help buttons. The help dialog provides brief instructions, examples, and theoretical considerations to aid in the interpretation of results, which are presented as tables, pictures and diagrams. As an HSC user, you can test an idea easily on the computer, before getting involved in any expensive and timeconsuming laboratory or industrial-scale experiments. The results of HSC will show, for example, the effect of temperature or raw material amount on the compositions of products and by-products. HSC Chemistry helps to avoid expensive trial-and-error chemistry, allowing the chemist or engineer to set up optimum reaction conditions for his experimental investigations. The payback time for the HSC is extremely short, as even one useless laboratory experiment can cost more than a whole HSC package.

1. Reaction Equations 2. Heat and Material Balances 3. Heat Loss Calculations 4. Equilibrium Compositions

8. H, S, C and G Diagrams 9. Phase Stability Diagrams 10. Mineralogy Iterations 11. Composition Conversions 13. Water (Steam Tables) 14. Units

5. Electrochemical Equilibria 12. Elements 6. Formula Weights 7. Eh - pH - Diagrams

The name of the program is based on the feature that all fourteen calculation options automatically utilize the same extensive thermochemical database which contains enthalpy (H) , entropy (S) and heat capacity (C) data for more than 17000 chemical compounds. This database is equivalent to more than fifteen thick data books. The objective of HSC is to make conventional thermodynamic calculations fast and easy to carry out using personal computers. Therefore HSC has a wide range of application possibilities in scientific education, industry and research. Thermochemical calculations are useful, for example, when developing new chemical processes and improving old ones. HSC Chemistry is also a useful tool for universities and schools in chemical practicals and studies. Traditionally, thermodynamic calculations based on experimental or assessed data have utilized stability functions in various thermodynamic data books and papers in scientific journals. The difficult searching stage and complicated calculations, as well as inconsistencies arising from different selections of standard and reference states, have made this calculation procedure quite time-consuming. HSC Chemistry offers powerful calculation methods for studying the effects of different variables on the chemical system at equilibrium. For example, if the user gives the raw materials, amounts and other conditions of almost any chemical process, the program will give the amounts of the product as a result. HSC also makes heat and material balance calculations of different processes much more easily than any manual method. The Eh-pH-diagrams option of HSC also offers a very fast way of studying the dissolution and corrosion behavior of different materials.

Reaction Equations (see chapter from the manual - pdf) View flash movie demo
Traditionally, researchers have tested their ideas by writing out reaction equations, and then calculated equilibrium constants and heats of reactions from standard thermochemical data. A time-consuming search for this data with standard state conversions was needed, however. HSC does all the above instantly - you simply type the reaction equation in the input field and HSC gives you the heat of the reactions, equilibrium constant at any temperature and amount of species. HSC even checks the elemental balance and gives potentials vs. the standard hydrogen electrode for electrochemical reactions. The calculated heat of reaction is the amount of heat that will be absorbed or released in the reaction. The equilibrium constant predicts the direction of the reaction. User input may be in the form of simple formulas or chemical reactions:

Heat and Material Balances ( see chapter from the manual (pdf)
Heat balance calculations are needed to estimate the energy requirements and the cost of the process, as well as the operation preconditions. In fact no process will work if the heat balance is not met. Input and output species, as well as their amounts and temperatures, are needed for the calculations. HSC recalculates the heat balance every time the initial conditions are changed. In this way you can, for example, find the optimum preheating temperature for raw materials to offset electrical heating of reactor system. Theoretical heat balances can be taking species and amounts from the reaction equations or equilibrium calculations. Real heat balances can be calculated by taking species and amounts from experimental results. These balances are very useful when scaling up processes from laboratory to industrial scale. By pointing and pressing on the appropriate buttons, the user can select either Celsius or Kelvins for temperature, moles or kilograms for amounts and calories or joules for energy units. The Temp Bal button is used to get product temperature at zero heat balance. In the case of gaseous combustion processes with zero heat exchange to the environment, this yields the adiabatic flame temperature. Both input and results can be saved as text files by pressing the Save button. This assures the files will be available later for editing in HSC or use in other programs.

Heat Loss (see chapter from the manual - pdf)

The main use of this module is to estimate total heat loss or draw the temperature profile of a wall or reactor. However, it can also be used to compare different materials and different setups, for example the use of insulation when a material has a critical maximum temperature or when the outside air cannot exceed a certain temperature. The conduction, convection and radiation databases also provide a resource as simple reference tables for material properties.

Equilibrium Compositions (see chapter from the manual - pdf)

Equilibrium calculations offer a practical way to observe the effects of process variables, such as temperature and amounts of raw materials on product composition. With this program option you can calculate equilibrium composition and amounts of prevailing phases in any reactor. You only specify the raw material amounts, temperatures and the species of the system. These species can be specified by selecting the elements of the system, or typing the formulas, or by editing the old file. Activity coefficients can be given, if necessary, as constants or as functions of temperature and composition. Calculations can be repeated at stepwise intervals over the range of raw materials amounts or reaction temperatures in order to visualize the effect of these process variables. For example, you can observe the effect of temperature on arsenic evaporation from copper-iron sulfides, or the effect of chlorine feed on titanium chlorination. Equilibrium compositions are calculated using the Gibbs energy minimization method as soon as the user saves the input data by pressing the Save button. The results can raw material amount, temperature, then be presented graphically as a function of partial pressure, etc. You can select linear or logarithmic scale and set maximum and minimum values for the x- and y-axis. The tabular numerical data which is used to draw the diagram can be saved as a normal text files by pressing the Table button. These files can be read, for example, in spreadsheet programs for further calculations.

Electrochemical Cell equilibriums (see chapter from the manual - pdf)

The CELL module calculates the equilibrium composition of an electrochemical cell using the same calculation method as the GIBBS-solver. However, the CELL module is especially designed for electrochemical cell calculations. In addition to the phase compositions it also gives the electrochemical potentials of the electrodes.

Formula Weights (see chapter from the manual - pdf)

The simplest calculation option is a versatile program for calculating formula weights. It accepts any form of chemical formula using conventional organic or inorganic expressions (without superscripts and subscripts). Typical entries might be: NaBO3*4H2O, H2(Sn(OH)6), (C2H5)2O, etc. The program displays the formula weight and elemental composition as both weight and atomic percentages. A paper copy of results is immediately available by pressing the Print button. Phase Stability Diagrams Phase stability diagrams offer a quick way to locate the stability regions of different phases at varying partial pressures of oxygen, sulfur, chlorine, nitrogen oxide, etc. The diagrams are quickly constructed in the following steps:

Select the three elements and press the OK button. Select species as well as the x- and y-axis. Press the Go to PSD button to see the diagram.

Labels can be relocated with the mouse; scales can be changed by pressing the Menu button; fonts can be changed by pressing the Font button, titles can be edited directly in the title fields.

Eh - pH - Diagrams (Pourbaix-diagrams) (see chapter from the manual - pdf)

Eh-pH-diagrams show the thermodynamic stability areas of different species in an aqueous solution. Stability areas are presented as a function of pH and electrochemical potential scales. Usually the upper and lower stability limits of water are also shown in the diagrams with dotted lines. Traditionally these diagrams have been taken from different handbooks12. However, in most handbooks these diagrams are available only for a limited number of temperatures, concentrations and element combinations.

The Eh-pH module of HSC Chemistry allows the construction of diagrams in a highly flexible and fast way, because the user can draw the diagrams exactly at the selected temperature and concentration.

The Eh-pH-module is based on STABCAL - Stability Calculations for Aqueous Systems - developed by H.H. Haung, at Montana Tech., USA.

H,S,C and G diagrams (see chapter from the manual - pdf)

The diagram module presents the basic thermochemical data for the given species in graphical format. Eight different diagram types can be drawn as a function of temperature: - H Enthalpy (total) - H Enthalpy (latent) - S Entropy - Cp Heat Capacity - G Gibbs Energy - DH - DS - DG (Ellingham diagrams)