On-screen simulation of process chemistry

Citation

(2003), "On-screen simulation of process chemistry", Anti-Corrosion Methods and Materials, Vol. 50 No. 1. https://doi.org/10.1108/acmm.2003.12850aab.008

On-screen simulation of process chemistry

On-screen simulation of process chemistry

Keywords: Software, Chemistry, Materials

The new 5.0 version of Outokumpu Research’s HSC Chemistry software, now available, contains new and upgraded calculation modules, increased Excel functions, new graphics facilities, and an enhanced database with new features. HSC 5.0 is designed to analyse chemical reactions and equilibria in process chemistry and is compatible with Windows 95, 98, NT, Me, 2000 and XP (Plate 1).

The new Heat Loss module may be used, for example, to estimate heat loss values needed in the Heat and Materials Balance module. After first specifying the wall layers, layer materials and layer thickness, two basic types of calculation can be carried out: Temperature profile, with fixed heat loss and one temperature point, and Heat Lost, with two fixed temperature points, which returns both heat loss and temperature profile. Temperature profile and other user-specified values can also be presented in graphical form.

Plate 1

This module is integrated with a conduction database of 718 substances; convection database with 111 substances and four functions; radiation database with 61 surface materials; gas radiation calculator with H₂0, CO₂, CO, NO, SO₂ and CH₄ data, and a particle radiation calculator. The user can edit or augment the data in these databases.

The new Steam Calculator module offers a much more convenient way of estimating enthalpies, entropies and densities of steam, water, and ice than traditional Steam Tables and Mollier Diagrams within 3-2,733°K and 0.01-1,000 bar. Steam enthalpies may be used, for example, when calculating the heat and material balances of boilers and turbines.

HSC Chemistry 5.0 consists of 14 calculation modules, displayed as options in the main HSC menu: Reaction equations, Heat and Material Balances, Equilibrium Compositions, Electrochemical Cell Equilibria; Formula Weights, Phase Stability diagrams, Eh-pH diagrams, Enthalpy, Entropy, Heat capacity, Gibbs energy and Ellingham diagrams, Mineralogy iterations, Composition conversions, Units conversions, Properties of Elements, and the new Heat Loss and Steam Calculator modules.

All modules use the same thermo-chemical database containing enthalpy (H), entropy (S) and heat capacity (C) data. All computations are menu-driven.

With the updated Heat and Materials Balance module in HSC 5.0, up to 127 balances can be calculated simultaneously, and balance areas can be connected with each other. Temperatures may now be used as variables. There is a new stream elemental composition calculator, and graphical objects may be included. There are also links to the new Steam and Heat Loss calculators.

The calculation reliability of the Equilibrium module has been improved and a new species name display and a new warnings routine for temperature-range extrapolation are additions to the database search routine.

The new HSC Excel Addin for Excel 2000 makes native HSC functions and databases directly available within a normal Excel spreadsheet. The 45 new functions work like normal Excel functions. For example, H (“FeO”;500) function returns the enthalpy of FeO at 500°K; WTP (“Na”;“Na₂SO₄”) returns the weight percent of sodium in sodium sulphate.

There is a new Drawing Toolbar for basic graphical objects, such as lines, arrows, rectangles and ellipses, with various formatting options. Drawing objects may be created and edited using either the mouse or Object Editor.

In addition, with HSC 5.0, diagrams can be saved in over 30 file formats including WMF, JPG and BMP.

The number of species in the database has been increased from 15,000 to 16,500, its quality improved and the temperature ranges expanded; in total, more than 5,000 enhancements have been made. New water data at pressures from 0.01 to 1,000 bar are now available. The limitation of 2,000 species has been removed from the Search routine and a new Search mode included. New, fast Table and Diagram routines have been added to the Database Editor.

HSC 5.0’s new help routine, which contains all the information, graphics and formulae in the printed manual, has search, print, edit and save options.

HSC Chemistry 5.0 software is thought to be an ideal tool for industry, research and education – see reference list on the HSC Web site: www.outokumpu.co/lhsc

Details available from: OUT, OKUMPU RESEARCH, Tel: +35 826 266111; Fax: +35 826 265 310; Web site: www.outokumpu.com/hsc