HSC Chemistry

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6. HAT!S "# $" HSC CH#%$STR& 5.0
The new HSC version 5 contains several new calculation routines, new properties and a
larger database with updated data. The familiar HSC style user interface and file formats
have been maintained in order to minimize the training requirements for current HSC
users. The new features can be summarized as follows
6.1 '()*te) He*t *n) %*ss +*,*n-e %o)u,e
! HSC version " calculated only one balance area at a time. #ith the new HSC 5 up
to $%& balances may be calculated simultaneously.
! 'alance areas may be connected with each other using cell references or built!in
element amount functions.
! Temperatures may be used as variables.
! Target routine is also available in (iagram option.
! )ew stream elemental composition calculator.
! *raphical ob+ects may be added to sheets.
! ,in- to the new Steam enthalpy calculator ././$ ! $/// bar0.
! ,in- to the new Heat ,oss routine.
! 1any small improvements such as iteration routine fi2es.
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6.2 "e. HSC A))$n /un-tions 0or #1-e, 2000
HSC 32cel 4dd5n ma-es native HSC functions and databases available directly
within a normal 32cel spreadsheet. Highly specialized applications may be created
with these new 32cel 4dd5n functions.
These functions wor- li-e normal 32cel functions such as the S'% function. 6or
e2ample, H23/eO345005 function returns the enthalpy of 6e7 at 5// 8elvin. 4n
other e2ample is T623"*343"*2SO735 function which returns the weight percent
of sodium in sodium sulphate.
9p to "5 different HSC functions are available in 32cel, which automatically reads
the HSC database.
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6.3 "e. 8r*.in9 Too,:*r
The new (rawing Toolbar may be used to draw basic graphical ob+ects .lines,
arrows, rectangles, ellipses0 in HSC diagrams. These shapes may be used, for
e2ample, to illustrate e2perimental conditions. :ersatile formatting options may be
used to edit lines or add fill colour, line widths and styles.
(rawing 7b+ects may be created and edited with the mouse or using the 7b+ect
3ditor, which enables very e2act editing with numerical values. (rawing 7b+ects
may be fi2ed so that they can be used in all diagrams or they may be saved for later
use in files.
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6.7 "e. 8i*9r*m O(tions
! HSC " was able to save diagrams using only one #16 format. )ow more than
;/ file formats are available, such as <=*, '1=, etc.
! (iagrams may also be edited using the new HSC 5mage 3ditor.
! Several diagrams may be combined with the new HSC 5mage Combiner if the
same >! and ?!scales have been used.
! There is a new (iagram *rid format option as well as some new formatting
options for diagram curves.
HSC Chemistry

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6.5 ;*r9er 8*t*:*se .ith ne. O(tions
! The number of species in the database has been increased from $5/// to more
than $&///. The quality of the database has been improved and the temperature
ranges of the available data have also been e2panded@ more than 5/// changes
have been made.
! )ew water data at pressures from /./$ ! $/// bar are now available.
! ,imitation of %/// species has been removed from the Search routine.
! )ew Search mode has been added .4ll elements must e2ist0.
! )ew fast Table and (iagram routines have been added to (atabase 3ditor.
! Several other small improvements have also been made.
HSC Chemistry

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HSC Chemistry

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A. Roine June 28, 2002 02103-ORC-T
6.6 $m(ro=e) #>ui,i:rium %o)u,e
! Calculation reliability has been improved in many of the test cases.
! )ew database search options without the limit of %/// species.
! )ew Species )ame display added to the database search routine.
! )ew #arnings routine for temperature range e2trapolation.
! Small fi2es e.g. species name length increased from %/ to %" characters.
HSC Chemistry

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A. Roine June 28, 2002 02103-ORC-T
6.< "e. He*t ;oss %o)u,e
The new Heat ,oss module may be used, for e2ample, to estimate heat loss values
needed in the 'alance module. The user must first specify the wall layers, layer
materials and thic-ness of these layers. Two basic types of calculations may be
carried out
1 Tem(er*ture (ro0i,e with fi2ed heat loss and one temperature point.
2 He*t ;oss with two fi2ed temperature points will return the heat loss but also the
temperature profile.
The calculation routine handles conduction, convection and radiation properties as
functions of temperature, but fi2ed values may also be used by selecting the value
and pressing the 6i2 :alue button. These fi2ed values are shown in red on the
calculation sheet.
Temperature profile as well as some other user specified values may also be
presented in graphical form. The target dialog may be used to find, for e2ample,
minimum layer thic-ness. The calculation specifications may be saved to files for
later use.
HSC Chemistry

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A. Roine June 28, 2002 02103-ORC-T
The Heat ,oss module is integrated with three databases and two calculators
! Conduction database with &$A substances
! Convection database with $$$ substances and " functions
! Badiation database with C$ surface materials
! *as Badiation Calculator with H%7, C7%, C7, )7, S7% and CH" data
! =article Badiation Calculator.
The user may edit or add new data to these databases.
HSC Chemistry

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HSC Chemistry

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6.8 "e. Ste*m C*,-u,*tor %o)u,e
The new Steam Calculator module offers a much more convenient way to estimate
enthalpies, entropies and densities of steam, water and ice than the traditional Steam
Tables and 1ollier (iagrams within " ! %%&; 8 and /./$ ! $/// bar. Steam
enthalpies may be needed, for e2ample, when calculating the heat and material
balances of boilers or turbines.
HSC Chemistry

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A. Roine June 28, 2002 02103-ORC-T
6.? "e. He,( Routine
The new Help routine contains all the information, graphics and formulae of the
HSC printed manual with convenient search, print, edit and save options.
6.10 Other $m(ro=ements
! The new folder structure divides HSC files into logical groups.
! HSC tables now also have 32cel D& and %/// file support.
! The length of formulas has been increased from %/ to %" characters in the 3pH
module.
! 6orm resize properties have been improved.
! 1any small bug fi2es and cosmetic ad+ustments etc.
6.11 "e. in)o.s %e, 2000 *n) @6 Com(*ti:i,ity
! )ew installation routine.
! )ew compiler and programming tool versions used.
! HSC 5./ is compatible with #indows D5, DA, )T, 1e, %/// and >= .
HSC Chemistry

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A. Roine June 28, 2002 02103-ORC-T
6.12 h*t!s "e. in HSC 5.1 =s. 5.0
1. 8*t*:*se 0i1esA
! HSC now finds all the 6! and Er! containing species.
! (atabase 3ditor bug which sometimes created empty records to 7wn
(atabase has been fi2ed.
! 4l.)7;0;.a0 !F 4l.)7;0;.ia0
! 4l6.G%a0, 4l6%.Ga0, 4l6;.a0 added
! 4mS7".!a0 !F 4m.S7"0%.!a0 .Typo in HSC database0
! '6")a S !;".&%A replaced with )a'6" S ;".&%A calHmolI8
! .Co.)H;05H%70Cl; !F Co.)H;05IH%7ICl; .(uplicate0
! CrS$.;;; H ;&.; !F !;&.; -calHmol .Typo in HSC database, 1ills &"0
! Cr%)i7" replaced with )i7ICr%7; .duplicate0
! 6eCr%7" replaced with Cr%6e7" .duplicate0
! H6e%7.!a0 removed .Typo in Slop DA H6e%7.!a0 !F H6e7%.!a0
! H%7 Cp constant when T F C// 8
! H7.g0 typo in H and S values fi2ed
! H75.g0 !F H57 Beliability Class $ !F 5 .*as in =an-ratz D5 J0
Compare to H57.g0.Cor D/, ,andolt /$0
! 5.!;a0 !F 5;.!a0 .Typo in HSC database, 6abricius D"0
! 8;4lClD !F 8;4l%ClD .Typo in 8arapet &/0
! 8;4l%6C !F 8;4l6C .Typo in 8arapet &/0
! 1o6% too stable Beliability Class % !F 5 .Buzinov &50
! 1o7%.G%a0, CH;C77.!a0, CH;C77H added
! )a%7 melting point !$"/58 !F $"/5 8
! )a4l7% replaced with )a%7I4l%7; .duplicate0
! )p.G"a0 data )4*B4 D$ !F =hillips AA
! )p.7H0;.Ga0 H ;$;.DA; !F !;$;.DA; -calHmol .Typo in HSC database0
! )p.H%=7"0.Ga0 !F )p.H%=7"0%.Ga0 .Typo in HSC database0
! =bS7"I=b7 was removed .3nthalpy value typo in 'ard A50
! .=t.)H;0"0Cl% !F =t.)H;0"Cl%
! .=t.)H;0"05% !F =t.)H;0"5%
! =u.G"a0 data )4*B4 D$ !F =hillips AA
! =u7%.S7"0.!%a0 !F =u7%.S7"0%.!%a0 .Typo in HSC database0
! SC).!a0 replaced with C)S.!a0 .duplicate0
! SrEr.Si%7&0 was renamed SrErSi%7& .Huntelaar D50
! 97%.*0 !F 97;.*0 .Typo in HSC database, =hillips AA0
! 97%.%5 replaced with 9"7D .duplicate0
! 9;75 deleted .Typo in Samsonov &A, data seems to be for 9;7A0
! Er6% too stable Beliability Class $ !F ; .'arin &&, *lush-o D", ,andolt //0
! Some aqueous .a0 species was changed to .ia0.
! Some new species.
! Small fi2 in K4ll must e2istK option in 6ind 3lements dialog.
2. T((- %o)u,e 0i1esA
! Scale and =rint (ialog bug fi2ed.
! (iagram 4rea Color (ialog bug fi2ed.
! =rint and ,abel dialogs with H, S and Cp diagrams.
3. *ter %o)u,e 0i1esA
! 6i2ed Small changes in =oint $ did not automatically effect the =hase
option.
! 1ore density values at higher pressures and temperatures.
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7. #>ui,i:rium %o)u,eA
! Species selection dialog Sort mode bug fi2ed.
! 4utomatic addition of )%.g0.
! #arning of S*1 limitations.
! *ibbs!routine fi2 (iagram button may be pressed before the calculations
are ready without crashing application.
! =ic!routine improvement 3nter !-ey moves forward after >! and ?!a2is
species selection.
! *ibbs! and S*1!routines =roblem with phase transition data below %DA.$5
8 fi2ed.
5. )ew KBey or) /in)K 7ption in (atabase 1enu finds, for e2ample, all the
species which contain the 8ey #ord KbenzeneK.
6. K8ey #ord 6indK may also be used from (atabase =eep routine.
<. Clearer option captions in (atabase 1enu
8. %ore .*rnin9 )i*,o9s.
! =eep (atabase dialog #arning of high number of print pages.
! 3lement 6ind (ialog 1ore Tool Tip Te2t.
! ,pp module 5mproved KTriple =oint 7utside BangeK warning.
?. Several small fi2es in Help! and 1anual! files.
10. 1a2imum number of records in HSC databases was increased from ;%&C& to
%$"&"A;C"& records.
11. KHSC 8;; Too,sK opens native HSC functions and database for use in :isual
'asic applications and other programming environments.
12. K#)(T,S;%.(,, could not be foundK error message bug in HSC Help routine
was fi2ed.
13. Heat and 1aterial 'alance 1odule
! Stream temperature lin- refresh bug was fi2ed.
! KCalculate BecalcK option clears also columns / ! S.
! 4rrow *raphical 7b+ect added.
! )ew 5deal *as (ensity option.
17. Some other small fi2es. 6or e2ample, HSC main menu flic-er in some
computers was fi2ed.
1any than-s for the feedbac- reports to all active HSC users.
HSC Chemistry

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A. Roine June 28, 2002 02103-ORC-T
6.13 h*tCs "e. in HSC Chemistry 7.0
The new HSC version "./ contains several ne. -*,-u,*tion mo)u,es, ne. (ro(erties
and a ,*r9er )*t*:*se with a lot of updated data. The familiar HSC style user interface
has been maintained in order to minimize the training requirements of current HSC users.
The new features can be summarized as follows
$. The number of substances in the database has been increased from $$/// to more
than $5///. 4 lot of old data has also been updated and e2tended.
%. 5mproved graphics, printing and format properties in all modules.
;. Target calculations in the Heat 'alance module for automatic iterations.
". 5mproved calculation reliability and speed in the 3quilibrium module.
5. 3h!pH!diagrams with concentration and temperature lines.
C. 4 new Tpp!module for stability diagrams with partial pressure and temperature a2es.
&. 4 new (iagram module for H!, S!, Cp!, *!, (H!, (*! T graphics.
A. 4 new 1ineralogy module for fast conversion between mineralogical and elemental
compositions.
D. 4 new 3lement module with basic data of elements and graphics.
$/. 4 new 9nits module with a useful units conversion calculator.
$$. 4 lot of small fi2es and tuning of properties based on user feedbac-.
$%. )ew ;%!bit HSC version for #indows D5, DA and )T.
The following sections will give a idea of these new features in more detail.
$nst*,,*tion
The HSC "./ installation routine has been updated and is now compatible with#indows
L
D5, DA and )T . However, system requirements are still quite reasonable.
He*t *n) %*teri*, +*,*n-es
Several new features have been added to the Heat and 1aterial 'alance module
$. The new T*r9et -*,-u,*tion feature can be used to iterate sequential variable
values in order to reach certain target values. 6or e2ample, the user can set the zero
heat balance as a target and find out the feed amount which satisfies the given
target condition.
%. The 9r*(hi-s 0e*ture enables the user to draw diagrams of heat balance calculation
sheets. The user may easily select one variable and range for the 2!a2is and several
others whose values are drawn on the diagram as a function of 2!variable change.
;. The user can easily im(ort *))ition*, %S #1-e,

sheets to the module. These

sheets can be used to calculate input data for the 5)=9T!sheet or process results of
the 79T=9T!sheet. 6iles can be saved in 32cel format for further treatment of
results.
". Several small improvements and new properties. 6or e2ample, the user can now
resize the forms without step values. The printing capabilities have been improved,
for e2ample, the final temperature calculation results can also be printed now.
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#>ui,i:rium C*,-u,*tions
3quilibrium Calculations is one of the most used modules in HSC software, therefore a
lot of effort has been spent on improving it. 6or e2ample
$. The calculation reliability and speed of *ibbs solver is better than in the previous
version.
%. The processing of 32cel type activity formulae has been improved.
;. The species table form can easily be resized.
". The diagrams can be printed in any size. 4 greater number of lines can be
visualized simultaneously by increasing the height of the printed diagram.
5. The enthalpy of the reaction can be drawn on the diagram.
C. The ma2imum number of pure substances in the diagrams has been increased from
DD to DDD.
&. This module now ma-es input!files for ChemSage %, ; and " versions.
.ChemSage is a registered trademar- of *TT!Technologies0
/ormu,* ei9hts
The new feature of the formula weight calculator allows the user to specify the amount of
the species in -ilograms or moles. This enables the module to calculate the amounts of
elements in addition to the compositions and formula weights.
T(( 6h*se St*:i,ity 8i*9r*ms
This new module allows you to draw phase stability diagrams with temperature as the 2!
a2is and a selected partial pressure as the y!a2is. (iagrams with partial pressures on both
a2es can also be drawn. =artial pressures of sulfur, o2ygen, sulfur dio2ide, carbon
mono2ide, etc. can be used depending on the selected system.
These diagrams can be used, for e2ample, to estimate what -inds of phases prevail in the
roasting furnace in different conditions or to evaluate which condensed substances may
become stable when the process gas temperature decreases.
#h - (H 8i*9r*ms
3h!pHdiagrams are used to estimate the prevailing species in aqueous solutions as a
function of pH and chemical potential. 4 completely new option has been added to this
module. The new features can be summarized in the following list
$. The new routine can be used to combine several diagrams with different
concentrations, temperatures or main elements into a single diagram. The
traditional concentration diagrams are widely used, but more special temperature
and main element diagrams may also give valuable information.
%. The possibility to change the size of printed diagrams is also very useful when
there are several small stability areas in the same diagram.
;. The selection of different electrode potential scales is also a useful new feature,
where Hydrogen, Calomel and 4gH4gClscales can be used.
". 5mproved calculation reliability.
5. The calculation system specification can easily be modified with the userMs own
*ibbs energy data. These modifications can be saved for later use.
HSC Chemistry

5.0 6 - 1<
A. Roine June 28, 2002 02103-ORC-T
H, S, C *n) D - 8i*9r*ms
The new diagram module can be used to draw several different types of thermochemical
diagrams. The same new versatile graphics and printing features are included as in the
other modules. The main features can be summarized as follows
$. 3ight different diagram types can be drawn as a function of temperature
! H 3nthalpy .total0
! H 3nthalpy .latent0
! S 3ntropy
! Cp Heat Capacity
! * *ibbs 3nergy
! (H
! (S
! (* .3llingham diagrams0
%. Several species can be selected to the enthalpy diagrams simultaneously to
compare total or latent enthalpies.
;. (* diagrams .3llingham diagrams0, offer a very fast way to compare the relative
stabilities of substances. 6or e2ample, you can find out which o2ide or chloride
compound is the most stable one. This information is useful when comparing the
reduction and o2idation tendencies of different elements.
". This module can also be used to compare the basic thermochemical data from
different sources, in order to see the differences and select the best data for
subsequent calculations.
%iner*,o9y %o)u,e
Composition conversions between substance .mineralogy0 and elemental analyses are
often needed in chemical BN( wor-. The new 1ineralogy module easily converts
mineralogical compositions into elemental compositions.
The conversion of the elemental composition of a substance into a mineralogical one is a
more difficult tas-, for e2ample, due to small analytical errors. This module offers three
tools for converting elemental analyzes into mineralogical ones
$. The So,=e metho), which uses matri2!algebra to solve the mineralogy. 5t is useful
if the given amounts of elements fit the given substances e2actly.
%. The Autom*ti- iter*ti=e metho), which fits the given elements to the given
substances by changing the species contents to achieve the given elemental
compositions.
;. The %*nu*, iter*ti=e metho), which may be needed especially if the same
element e2ists in several species.
#,ements %o)u,e
The thermochemical behavior of species is based on the properties of elements. The
location of the element in the periodic system tells us a lot about its chemical nature. The
new 3lements 1odule offers a fast way to compare the basic properties of elements in
tabular and graphical format.
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The database contains data on 5C different properties of elements. 4s in other HSC
modules, the user is permitted to modify and add new data to this database according to
personal requirements.
'nits %o)u,e
Traditionally, several types of energy, temperature, mass and volume units have been used
in thermochemical calculations. Therefore, some inconvenient conversions are needed to
compare the results from different sources. The new 9nits Conversion module is an easy
tool for fast unit conversions in thermochemical as well as other engineering fields. The
specifications of this module can be summarized as follows
$. Some D/ different quantities and """ units are available. The user can easily add
hisHher own units and coefficients into the conversion calculator database.
%. The 9nits 1odule also offers data sheets for chemical constants, particle mesh
sizes, air humidity and water pressure tables. The user can modify these tables
.according to personal requirements.
8*t*:*se
The thermochemical database is an essential part of HSC Chemistry, because the
accuracy of the calculation results of all HSC modules depends on the quality of the basic
data in the integrated database. Considerable development wor- has been carried out,
which can be summarized as follows
$. The number of species in the database has been increased from $$/// to more than
$5///. This data is not critically evaluated, but gives fast access to data and
references, which can be found from literature.
%. The quality of the database has been improved and the number of unnecessary
duplicate species has been decreased.
;. 6urther supporting data, such as structural formulae, chemical names, common
names, C4S numbers, melting points, boiling points, etc. have been added to the
database.
". HSC " uses the same database format as HSC ;, therefore, the userMs own databases
can also be used with the new HSC "./.
5. The search procedure for species in K(atabase 3ditorK and KShow (atabaseK
windows has been improved. The species lists now show the location of the closest
match if the given formula is not found in the database.
C. 4 direct lin- to the graphics module has been added to the Cp data!fitting option.
This allows the easy comparison of e2perimental and fitted data.
&. $m(ort*nt "ote The main reason for the small differences with HSC ; and "
calculation results is the new data in the HSC " database.
Dener*, im(ro=ements
The graphics, printing and format properties as well as resizing capabilities of the table
forms have been improved in most calculation modules. This ma-es it easier to produce
high quality hard copies of the results.
HSC Chemistry

5.0 6 - 1?
A. Roine June 28, 2002 02103-ORC-T
)umerous minor improvements and ad+ustments have been made which are not always
visible. However, they will ma-e the life of the HSC user easier. This wor- has been
based mainly on feedbac- from HSC users.