OLI Analyzers

Welcome to the OLI Analyzers
OLI is a cutting edge chemical process technology and computer

software company whose products and services are used worldwide
in laboratory, plant, oil field and environmental applications.
The OLI Analyzer suite of programs is the result of over 30
years of effort that represents state-of-the-art technology in
aqueous simulation. Included in the Analyzer program suite are:
StreamAnalyzer On the stream level, OLI's StreamAnalyzer

provides a virtual chemistry lab on your PC.
With StreamAnalyzer you can predict reaction
products, phase splits and complete
speciation of all phases for a complex
mixture of chemicals in water. You can
predict bubble and dew point, pH and pH
adjustments, precipitation point, acid /
base / chelant titration curves, and
temperature, pressure and composition
dependence of thermophysical properties.
With the Water Analysis option, you can

define a process stream on an ionic basis,
evaluate the quality of and reconcile
laboratory analyses, and then use these
results in StreamAnalyzer or a process
simulator such as ESP.
CorrosionAnalyze CorrosionAnalyzer allows the prediction of

r corrosion rates as a function of pressure,
temperature, composition and flow
conditions. This software tool also provides
real solution stability (Pourbaix) diagrams
and theoretical polarization curves to aid
the engineer and corrosion specialist in
understanding the mechanisms, causes and
possible fixes for the corrosion situation
being studied. CorrosionAnalyzer is
available for a broad array of common
chemical systems and for carbon and
stainless steels. Under a research award
from the US Department of Energy, OLI is
expanding the applicable metallurgy to
include essentially all alloys of industrial
interest.
SCOREAnalyzer SCOREAnalyzer is a blend of

CorrosionAnalyzer and ScaleChem that uses a
subset of the Analyzer database for the
chemistry model. This makes SCOREAnalyzer a
fast performing tool
Other OLI Systems products include:
ScaleChem Designed by and for production chemists and

engineers, ScaleChem is an accurate,
versatile tool used for the prediction of
oil field scaling. ScaleChem uses OLI's
rigorous aqueous chemistry model to predict
the formation of scale in the reservoir,
well and surface facilities. Current
refinements include adding the oil phase and
providing a facilities wizard to determine
downhole conditions based on surface
samples.
ProcessAnalyzer At the process level, OLI's ESP (steady

/ ESP state) and DynaChem (dynamic) are the only
rigorous aqueous process simulators. ESP
includes unit operations such as mixing,
precipitation, pH adjustment, separation
towers, bioreactor, solvent extraction, ion
exchange and membrane separations. The
crystallization model under development will
include prediction of crystal size
distribution and include particle kinetics
such as growth, nucleation, agglomeration
and attrition.
How to contact OLI?

OLI Systems, Inc. is located at:
108 American Road
Morris Plains, NJ 07950
Morris Plains is about 30 miles west of New York City. We are

easily reached via air travel to:
Newark, NJ
New York, NY
Philadelphia, PA.
OLI Systems, Inc.'s working hours are:
Monday - Friday 8:00 am to 5:00 pm (Eastern time)
OLI is closed for the following holidays:
New Year's Day
Memorial Day
4th of July
Labor Day
Thanksgiving
Christmas
Do you have feedback about an OLI Analyzer? We would like to

hear from you! Please contact us and share your comments:
Email Web
Phone / Fax
973-539- sales@olisystems.com www.olisystems.co

4996 m
(voice)
973-539- info@olisystems.com
5933 (fax)
support@olisystems.c
om
Calculations Overview
Several types of calculations can be performed with the OLI

Analyzers:
Single Point
Calculations
Calculations can
be performed as a
Single Point
Calculation at a
single set of
conditions. The
required
specifications for
each respective
calculation can be
found at the links
below:
Isothermal Vapor Amount Precipitation Point
Isenthalpic Vapor Composition Point

Fraction
Bubble Point Set pH Custom
Dew Point
Survey
Calculations
Calculations can
also be performed
over a range of
conditions as a
Survey Calculation
(to generate a
plot, you must use
surveys). The
required
specifications for
each respective
calculation can be
found at the links
below:
Temperature Composition
Pressure pH
Getting Started

Following are a few examples to work through to get started
setting up problems. The first 6 examples are for
StreamAnalyzer. The basic methods used in StreamAnalyzer
are also utilized to solve problems using CorrosionAnalyzer
and SCOREAnalyzer in the last 2 examples.
Stream pH This application uses StreamAnalyzer to

determine the pH of an aqueous stream.
Speciation A 0.1 molal (kgmol / kg H2O) hydrofluoric acid

(HF) sample is to be titrated with calcium
phosphate (Ca3(PO4)2). StreamAnalyzer is used
to determine what the titration curve will
look like.
Nickel in A user is discharging a wastewater that

Wastewater contains nickel ion at a concentration of
0.002 moles/kg H2O. The existing treatment
strategy is to precipitate the nickel ion as
Nickel Hydroxide (Ni(OH)2). The soluble nickel
remaining after precipitation is less than 1
ppm. During the course of plant operation,
some cyanide ion is inadvertently added to the
waste stream and the soluble nickel is now in
excess of 1 ppm. Sulfide salts were then added
to hopefully precipitate the nickel and once
again achieve the design specification (<1
ppm).
Let's use StreamAnalyzer to answer the

question: Will this approach work?
Solids It is sometimes desirable to determine the

Precipitatio solubility of the less stable solid
n independently of the more stable solid. In
this example, we will examine the solubility
of calcium carbonate as calcite in a solution
containing magnesium, calcium chloride and
carbon dioxide using StreamAnalyzer.
Matrix A matrix acidization job is being designed for

Acidization a formation of calcite cemented sandstone with
clay fines. The plan is to acidize 12 inches
back from the wellbore and we want to know
what type of acid is needed and how much to
use. It is expected that 250 kg calcite and 55
kg quartz fines will be found. During a
previous matrix acidization, 10 kg of Fe2O3
was produced, which caused damage. It is
desired to add sufficient concentrations of
chelants (EDTA or citric acid) to prevent
precipitation.
The following questions will be answered using

StreamAnalyzer:
1. How much HCl is needed to dissolve 250

kg calcite?
2. How much HF is needed to dissolve the

clay and quartz?
3. How much H4EDTA or citric acid is needed
to keep Fe2O3 from precipitating?
Reconciling It is quite common, when reviewing lab

an Oil Field analysis of water samples, that the positive
Brine ions (cations) and the negative ions (anions)
do not balance each other. This may be due to
the precision limits of the various
experimental procedures used to measure the
ions and/or due to the fact that some ions may
not have been analyzed. In reality, these
solutions must have a neutral charge.
This application presents Water Analysis in

OLI's StreamAnalyzer to reconcile a brine from
a well that is producing water along with the
oil. Reconciliation is performed for both
electroneutrality and pH.
Corrosion of This example presents two illustrations of

Iron in corrosion analysis utilizing OLI's
Aqueous CorrosionAnalyzer:
Solutions
Stability of Iron in Water
In this illustration, a real-solution

stability diagram will be generated for water
in contact with iron to demonstrate that a
passivation layer develops at specific
conditions of pH and Eh..
Corrosion Rate of Steel in Aqueous Brines
In the second illustration of this example,

the uniform rate of corrosion will be
calculated for an aqueous brine in contact
with a generic steel surface metal. The brine
is composed of water, NaCl and CO2,
representative of a fluid recovered from oil
well production.
Corrosion of The power of OLI 's SCOREAnalyzer becomes

Stainless apparent as we study the chemistry of
Steel in Sea oxidation and reduction. This application is
Water divided into 2 parts:
Seawater
The first section shows how to enter a water

sample analysis for a typical seawater. The
seawater analysis will be reconciled for
electroneutrality and pH. The water will then
be placed in contact with 304 SS to
demonstrate the corrosion affect on the metal
with a corrosion rate survey.
Aerated Seawater
A second analysis will be performed with air

in contact with the seawater to show how
oxygen affects corrosion rates.
Stream pH
Let's get StreamAnalyzer started with a case to determine
the pH of an aqueous stream...
To enter
data for
this case,
double click
on the "Add
Stream" icon
on the
opening
screen.
Click on the Description tab to change the stream Name from the
default name of Stream1 to a descriptive name such as Iron
Chloride. Information can be added to the description section such
as the location of the stream in the process or what is trying to
be learned from this calculation.
(The stream Name can also be changed by triple clicking on the
stream name in the tree view list of streams.)
Click on the Definition tab to enter the following problem

conditions:
o
25.0 C
Temperatur
e
Pressure 1.0 atm
H2O 55.50 moles

8
FeCl3 1.00 moles
The yellow shaded areas on the stream Definition page denote

information that is required by the program. The program defaults
are 25 oC, 1 atm and 55.508 kgmol of water. (55.508 kgmol of water
is 1 kg which effectively makes any component concentration a
molal concentration.)
The white shaded areas are for user provided information. FeCl3
(iron (III) chloride) is entered under H2O in the Variable column
and the quantity is entered in the Value column.
To determine the pH, click on the Add Calculation button and then
the Single Point menu item. The stream name can be changed and a
description can be added at the Description tab in the same way
they were at the parent stream level.
The default Type of Calculation is Isothermal; several other types

of calculations are also available (see the Calculations Overview
section under Getting Started). The problem is now fully specified
and is ready to be solved. The calculation will be executed when
the Calculate button is clicked (the green dot indicates that the
problem is ready to be calculated).
When the calculation is complete, some basic results are displayed

in the Summary window on the right side of the screen. pH is shown
under Aqueous Phase Properties with a value of 2.2 in this case.
A detailed summary of the calculation results can be viewed by
clicking on the Report tab
or
by clicking
the Output
tab at the
bottom of
the
Definition
window,
clicking the
Advanced
button and
checking the
Additional
Stream
Parameters
in the
Stream
Sections to
Display
list.
Save, Save, Save
This would be a good time to save your work. This
can be done using the File/ Save As... menu item or

by clicking on the Save icon on the toolbar.
AutoSave Option can be done using the
Tools/Options... menu item and then select the Auto
Save check box.
Remember to save often!
Speciation
A 0.1 molal (kgmol / kg H2O) hydrofluoric acid (HF) sample is to be

titrated with calcium phosphate (Ca3(PO4)2).
What will the HF titration curve look like?
Return to top
HF Stream
At the
StreamAnalyz
er starting
screen,
double click
on the Add
Stream icon.
default name of Stream# to a descriptive name such as Speciation.
Information can be added to the description section to expand on
the descriptive information such as the location of the stream in
the process or what is trying to be learned from this calculation.

stream name in the tree view list of streams.)
Click on the stream Definition tab to enter the

following stream data:
o
Temperature 30.0 C
Pressure 1.0 atm
H2O 55.50 moles

8
HF 0.0 moles
Ca3(PO4)2 0.0 moles
The yellow shaded areas on the stream Definition page represent

information that is required by the program. By default, the
program starts at 25 oC, 1 atm and 55.508 kgmol of water. (55.508
kgmol of water is 1 kg which effectively makes any component
concentration a molal concentration.)
The white shaded areas are user supplied information. HF and

Ca3(PO4)2 are entered under H2O in the variable column; the
quantities are entered in the value column.
We will perform a single point calculation for a 0.1 molal HF

stream to determine the pH. Click on the Add Calculation button
and then the Single Point item on the dropdown menu.
Change the stream name to HF and add a description at the

Description tab in the same way they were at the parent stream
level.
At the stream Definition screen, add 0.1 moles of HF. Isothermal

is the default Type of calculation; several other types of
calculations are also available (see the Calculations Overview
section under Getting Started). The problem is now fully specified
and is ready to be solved. The calculation will be executed when
the Calculate button is clicked (the green dot indicates that the
problem is ready to be calculated).
When the calculation is complete, some basic results are displayed

in the Summary window on the right side of the screen. pH is shown
in the Aqueous Phase Properties area with a value of 2.13 in this
case. A detailed summary of the calculation results can be viewed
by clicking on the Report tab.
With a pH of 2.13, this stream is very close to the RCRA

limit for hazardous waste discharge. The fluoride ion is also
hazardous to discharge and we need to remove it from
solution. We can do this by forming calcium fluoride,
CaF2(s). This species is very insoluble and forms rapidly.
What would happen if we mixed the HF acid solution with
Ca3(PO4)2, a material readily available at a plant?
Save, Save, Save
Save check box.
Return to top
Ca3(PO4)2 Stream
What is the pH of a 0.1 molal solution of Ca3(PO4)2 at 30 oC and 1

atmosphere? We will follow the same steps as for the HF acid:
 Click on the Speciation stream in the Stream Tree on the

left side of the screen.
 Change the stream name to Ca3(PO4)2 and add a description at
the Description tab.
 Click on the Add Calculation button and then the Single

Point item on the dropdown menu.
On the stream Definition screen, add 0.1 moles of Ca3(PO4)2 and

click the Calculate button. In the Summary window on the right
side of the screen, we see that the pH of this stream is 5.003.
HF Titration Return to top

Now, let's titrate the HF acid solution with Ca3(PO4)2. For this,
we need to set up a multiple point survey. We accomplish this by
returning to the parent Speciation stream in the Stream Tree and
clicking on the Add Calculation button and then the Survey item
from the dropdown menu.
At this point, we can change the name to HF Titration and add a

description at the Description tab.
On the Definition screen:
 Set the HF inflow to 0.1 moles, leave the Ca3(PO4)2 flow set
to 0.0.
 Click on the Survey by button to display a list of surveys

available - change to a Composition survey (Temperature is
the default).
 Specifications for the survey are entered by clicking on the

Specs... button. Select Ca3(PO4)2 from the component list and
then click on the Survey Range tab. We only wish to add
enough Ca3(PO4)2 to equal the amount of HF already in
solution, so we need to change the End value to 0.1 and the
Increment to 0.001; click the OK button.
The problem is now fully specified and is ready to be executed by
clicking on the Calculate button. When the calculation is
complete, click on the Plot tab and select the Curves button. We
want to see the stream pH vs. the amount of Ca3(PO4)2 added. To
achieve this, click on Dominant Aqueous (default) in the Y Axis
box, then click on the left facing arrows to remove this as the
plot variable.
Minimize the Aqueous variable in the Variables tree by clicking on
the and find Additional Stream Parameters; expand this parameter
by clicking on the and find pH. Click on pH - Aqueous and then
click on the right facing arrows to select pH as the Y Axis
variable; click the OK button.
The appearance of the plot can be modified to include gridlines,
change plot increments, titles, etc. at the Options button.
Look closely at the pH - we have taken an acid (HF) and reacted it
with a base (Ca3(PO4)2) and the pH actually decreases before
increasing!
Click on the Report tab to view the pH values (the following image
is only part of the report).
What is the explanation of this unusual pH behavior? At low values
of Ca3(PO4)2 the HF dissociates because of the formation of a solid
phase CaF2(crystal). This shifts the following equilibrium to the
right:
HFo ===> H+ + F-
As the added amount of Ca3(PO4)2 is increased, a new solid phase

begins to appear. This solid phase is CaHPO4(crystal). Now the pH
begins to increase. The report file shows this at a Ca3(PO4)2 value
of approximately 0.016 moles. The pH climbs beyond this point
until approximately 0.024 moles of Ca3(PO4)2 where the pH levels
out. At this value, a third solid phase forms: Ca3(PO4)2(crystal).
What are the fluoride species doing in solution? We modify the
plot parameters to view the fluoride species. Select the Curves
button; deselect pH as the Y-axis variable and select the desired
fluoride species (CaF+1, F-1, (HF)2aq, HF2-1, HFaq) under the Aqueous
variables list.
Click the Options button and select the Y Axis category item and
the Scale tab, and check the Logarithmic scale box.
This plot demonstrates that the neutral HF species continues to
dissociate until almost 0.025 moles of Ca3(PO4)2 have been added.
This is typical of weak acids.
Save, Save, Save
Save check box.

Solids Precipitation
Equilibrium based simulators suffer from a potential problem in

that the most stable solid will tend to be included over less
stable (meta-stable) solids. Such is the case of calcium
carbonate. Calcium carbonate, CaCO3, is found in nature in many
forms. Two common forms are the more thermodynamically stable
solid, calcite, and the less stable form, aragonite.
It is sometimes desirable to determine the solubility of the less

stable solid independently of the more stable solid. In this
example, we will examine the solubility of calcium carbonate in a
solution containing magnesium, calcium chloride and carbon
dioxide.
In certain instances, the formation of calcite is prohibited

kinetically and the less stable form of aragonite will form. Such
cases include coral reefs where aragonite is selectively formed
via biological action.
In this example, we wish to accomplish several objectives:
1. Learn how to perform a precipitation point calculation
2. View and select an additional databank
3. Modify the chemistry to include and exclude individual solid

phases.

Return to top
Precipitation Point
Calculation
At the
starting
screen, double
click on the
Add Stream
icon.
At the Description
Temperature 25.0 C
tab, enter a new
stream name, such as
CaCO3, and add a Pressure 1.0 atm
description for the
stream. At the Water 55.508 mol
Definition tab,
enter the following Calcium 0.100 mol
stream conditions: chloride
Magnesium 0.100 mol

chloride
Carbon 0.010 mol

dioxide
Calcium 0.000 mol
carbonate
The screen will

then look like this
if the "Display
name" style is
currently selected:
It is frequently difficult to use the Display name for the

components. For this example, we will change the way the names are
displayed. Select Tools from the menu bar and then select Names
Manager from the drop-down list. For this case, we want to use the
OLI name (TAG) style; click OK when done.
The display should
have changed as
shown:
We are now ready to set up the precipitation point calculation.

Click on the Add Calculation and then the Single Point menu item.
The default naming system will create cases with very similar
names (for example SinglePoint1, SinglePoint2, etc.); we will
rename this case Calcite Solubility by clicking on the Description
tab and entering a new Name. Some descriptive information can also
be added at this screen.
The default single

point calculation is
an isothermal
calculation. We need
to change this by
clicking on the
Type of calculation
button, which will
be showing
Isothermal; select
Precipitation Point
from the drop-down
list.
The input grid now shows two new items that need to be defined
properly prior to the start of the calculation. The Calc
Parameters section on the problem Definition screen shows that the
solid to be precipitated (Precipitant) and the adjusted inflow
(Adjuster) are unspecified. The user specifies one solid as the
target precipitant and also enters a solid quantity. If no value
is entered, the default value (1.0 x 10-10 times the stream amount)
will be used. The inflow amount of a chosen component is then
adjusted to achieve the target value of the precipitant. The
adjusted amount is the solubility of the species.
Care should be taken in trying infeasible cases.
Click on the Specs... button. A list of potential Precipitants is

presented along with a list of the component inflows available to
be the Adjuster. Select CACO3 - Sol from the Solids list and then
select CACO3 from the Component Inflows list; click OK when done.
The calculation is
now fully
specified and
ready to be
executed; click
the Calculate
button with the
green dot.
When the
calculation is
complete, some
basic results will
appear in the
Save, Save, Save
Save check box.
Return to Top
Selecting Databanks
Frequently, there is more to the chemistry than what is covered in

the PUBLIC databank. The following databanks are also available
from OLI for use with the aqueous model:
 Alloys
 Ceramics
 Corrosion
 Geochemical
 Heat Pump Fluids
 Low Temperature
 Refrigerants
We now want to modify this problem to use a different databank.
1. at the Stream Tree on the left side of the screen, click on

the CaCO3 stream name.
2. click on the Add Calculation button and then the Single

Point menu item.
3. give the new calculation a descriptive name such as

Aragonite Solubility.
To change to a different databank, select Chemistry from the top

menu and then select Model Options from the drop-down menu that
appears. Click on Geochemical in the list of the Optional
Databanks and then click on the right facing arrow to move the
selected databank into the Selected window; click OK.
Return to Top
Modifying the Chemistry
Removing Solids
After we have selected the Geochemical databank, we need to change

the chemistry. The inclusion of the Ca+2, Mg+2 and CO2 species in
the chemical model will allow for many new solids to potentially
form. CO2, of course, creates the carbonate and bicarbonate ions.
These new solids are:
CaCO3
Calcite
Aragonit CaCO3
e
Dolomite CaMg(CO3)2
Calcite is the most thermodynamically stable solid between the two
calcium carbonates. In this scenario, we wish to determine the
solubility of the less thermodynamically stable solid, aragonite.
A problem with equilibrium based models is that they will always
predict the most thermodynamically stable solid unless we modify
the model.
For this, return to the Chemistry menu and select Model Options
again. At the Chemistry Model Options screen, select the Phases
tab. This screen lists the solids in the chemistry model;
unchecking on a solid will exclude it from the calculation.
Scaling tendency can be left to be calculated for the excluded
solids or set to not be calculated by checking the box at
Calculate Scaling Tendencies for excluded solids. Scroll down the
solids list to find CaCO3 and check the box next to it; click OK.
Repeat the steps from the previous case:
1. set this up as a Precipitation Point calculation
2. at the Specs... button, select ARAGONITE - Sol from the

Solids list and CaCO3 as the Component Inflow to be varied
3. click the Calculate button
When the
calculation is
complete, we can
see in the summary
box that
approximately 0.2
moles of aragonite
is soluble in this
solution - this is
We can click on the
Output tab at the
bottom of the
problem definition
window to change
from viewing the
input data to
viewing the
results.
To see the solids

in the results,
click on the
Advanced button
below the Output
tab; scroll down
Stream Section To
Display to find
Solid and check the
box; click OK. This
will add a new
section to the
screen called
Solid. Scroll down
to look for non-
zero values.
This report shows
that approximately
0.097 moles of
ORDDOL (CaMg(CO3)2)
have also
precipitated with
the aragonite. The
solution must first
become saturated
with dolomite
before aragonite
will precipitate.
This means that
dolomite is more
thermodynamically
stable than
aragonite at these
conditions.
Removing
Dolomite
Now we want to modify the problem to also exclude dolomite from

the calculation.
Repeat the problem set-up as before:
1. at the Stream Tree on the left side of the screen, click on

the CaCO3 stream name
2. click on the Add Single Point button on the right side of

the screen
3. give the new calculation a descriptive name such as w/

Dolomite excluded.
Change the databank:
1. select Chemistry from the menu and then select Model Options
from the drop-down menu that appears
2. click on Geochemical in the list of the Optional Databanks

and then click on the right facing arrow to move the
selected databank into the Selected window.
Also at the Chemistry menu, select Phases to exclude the following

solids from forming:
 CaCO3
 Dolomite
 Disdol
 Orddol
The latter two solids are alternative forms of dolomite. Click OK

to continue.
Repeat the precipitation point
calculation:
1. select Precipitation
Point type of calculation
2. at the Specs... button,

select ARAGONITE - Sol
from the Solids list and
CaCO3 as the Component
Inflow to be varied
3. click the Calculate button
The solubility of aragonite is

now 5.5482e-3 moles - this is
more in line with the calcite
solubility.
Users should always remember

that although a species is more
Save, Save, Save
Matrix Acidization
A matrix acidization job is being designed for a formation of

calcite cemented sandstone with clay fines. The plan is to acidize
12 inches back from the wellbore. We want to know what type of
acid is needed and how much to use. It is expected that 250 kg
calcite and 55 kg quartz fines will be found. During a previous
matrix acidization, 10 kg of Fe2O3 was produced, which caused
damage. It is desired to add sufficient concentrations of chelants
(EDTA or citric acid) to prevent precipitation.
The following questions must be answered:
1. How much HF is needed to dissolve the clay and quartz?
2. How much HCl is needed to dissolve 250 kg calcite?
3. How much chelant (citric acid or EDTA) is needed to keep

Fe2O3 from precipitating?
Let's customize the program for this calculation:
We need to
use the
Geochemical
databank
for this
problem.
Databank
selection
is done by
selecting
Chemistry
from the
toolbar and
then
clicking on
Model
Options...
Click on Geochemical in the Available databanks list and enter it

into the Selected databanks list by clicking on the blue right
arrow; click on the OK button.
We also want to customize the units to be used in this problem. To
accomplish this, click on Tools in the toolbar and then select
Units Manager...
At the Units Manager screen, click on the Display Units button to

get to the Default screen.
At the Default screen, we see that the default flow unit is mol;
we want to change the units to kg. Click on the unit in the
Default Unit column to bring up a drop-down menu of possible
units. Find the desired unit in the list and click on it. This
should be repeated for all of the flow variables: Stream, Total,
Aq(ueous), Vap(or), Sol(id), 2ndLiq and Mass. Click on the OK
button at the Default and Units Manager screens.
Returning to Tools in the toolbar, we want to check the component
names format by selecting Names Manager... We want to use the OLI
name (TAG) style (this is the default) for entering component
information; click the OK button.
We can now start entering data for this case. To create a stream,
double click on the "Add Stream" icon at the opening screen.
default name of Stream1 to a descriptive name such as Matrix.
Information can be added to the Description section to record
descriptive information such as the location of the stream in the
process or what is trying to be learned from this calculation.
stream name in the tree view list of streams in the left hand
window of the screen.)
Click on the stream Definition tab to enter the stream data:
125 oC Calcite (CaCO3) 250 kg

Temperatur
e
Pressure 250 atm Quartz (silica) 55 kg
H2O 500 kg Kaolinite 15 kg
Fe2O3 30 kg
CO2 75 kg
HCl
HF
H4EDTA
Citric Acid
The yellow shaded areas on the stream Definition page represent

information that is required by the program. Program defaults are:
 25 oC
 1 atm
 55.508 kgmol of water (55.508 kgmol of water is 1 kg which

effectively makes any component concentration a molal
concentration)
The white shaded areas are used for additional information.
Additional components are entered under H2O in the Variable column;
quantities are entered in the Value column.
Return to top
Calculation 1 - How Much HF is
Required?
We will perform a survey to determine how much HF is required to

dissolve all of the silica:
1. click on the Add Calculation button and then the Survey menu
item.
2. change the stream name to HF Survey and add a description at

the Description tab in the same way as at the stream level.
3. we do not want to perform a temperature survey (default), so

at Survey by, change the survey type to Composition.
Click on the Specs... button and select HF as the component to be

varied.
Click on the Survey Range tab to set the End Points to 0 - 300 kg
and the Step Size at 10 kg increments; click OK.
At the stream Definition screen, the problem is ready to be solved
by clicking on the Calculate button with the green dot.
When the calculation is complete, select the Plot tab. Click the
Curves button in the upper right corner of the window to modify
the plot in order to view the solids (Dominant Aqueous is the
default plot parameter). Click on the at the Aqueous line in the
Curves tree. Next, click on the at the Solid line; highlight
Dominant Solids and add it to the Y-Axis variables by clicking on
the right facing arrows. Remove Dominant Aqueous as the Y-axis
variables by highlighting it in the Y Axis box and then clicking
the left-facing arrows. Click on OK.
The plot now shows Dominant Solids vs. HF added. We can see that
the CaCO3 is all dissolved with 100 kg HF added; all of the quartz
is dissolved when 200 kg of HF has been added.
Another variable of interest would be pH. pH is found in the

Additional Stream Parameters line item in the Curves list. The
plot will automatically adjust for the best X and Y scale range.
For the pH vs. HF plot the automatically adjusted Y range is 0.6
to 4.6, and this can be modified by clicking on the Options button
and changing the Y Axis Minimum to 0 and Maximum to 7. Click on
the OK button.
At the 100 kg HF point, we see that the pH is 4.11; at 200 kg HF,
the pH has dropped to 1.34. The mouse can be scrolled over the
points to view the coordinates in the upper-left corner of the
plot window.
Save, Save, Save

Save check box.
Return to top
Calculation 2 - How Much HCl is
Required?
Now, we will perform a similar survey to determine how much HCl is
required:
1. return to the Matrix stream in the Stream Tree and click on

the Add Calculation button and then the Survey menu item.
2. change the name to HCl Survey and add a description at the

Description tab.
3. change the HF inflow at the Definition screen to 180 kg.
4. change the survey type to Composition.
5. click on the Specs... button and select HCl as the component

to be varied.
6. click on the Survey Range tab to set the End Points at 0 -

300 kg and set Step Size at 10 kg increments.
7. click on the Calculate button with the green dot.

8. plot Dominant Solids vs. HCl in the same way as in the
previous survey.
The plot now shows the dominant solids vs. HCl added and we can
see that the Fe2O3 is all dissolved with 60 kg HCl added.
Checking the pH in the report at the 60 kg HCl point (click on the
Report tab and scroll down to the Survey Parameters section), we
see that the pH is now 0.24.
Return to top
Calculation 3 - How Much Citric Acid
is Required?
As the 3rd step, we will perform another survey to determine how
much citric acid chelant is required:

2. change the name to Chelant Survey and add a description at

the Description tab.
3. set the HCl inflow at the problem Definition screen to 60

kg.
4. change the survey type to Composition.
5. click on the Specs... button and select Citric Acid (Citrac)

as the component to be varied
6. click on the Survey Range tab to set the End Points to 0 -

300 kg and Step Size to 15 kg increments
7. at the stream Definition screen, click on the Calculate

button with the green dot
8. plot Dominant Solids vs. Citric Acid in the same way as the
previous surveys
We can see that only the CaCO3 is affected by the citric acid.
Return to top
Calculation 4 - How Much H4EDTA is
Required?
As the 4th step, we will perform another survey to determine how
much H4EDTA chelant is required:

2. change the name to H4EDTA Survey and add a description at

the Description tab
3. set the HCl inflow at the problem Definition screen to 60 kg
4. change the survey type to Composition
5. click on the Specs... button and select H4EDTA as the

component to be varied
6. click on the Survey Range tab to set the End Points to 0 -

300 kg and Step Size to 15 kg increments
7. at the stream Definition screen click on the Calculate

button with the green dot
8. plot Dominant Solids vs. H4EDTA in the same way as the

previous survey.
We can see that all of our solids are affected by the H4EDTA
addition.
Save, Save, Save
Save check box.

Reconciling an Oil Field Brine
It is quite common, when reviewing lab analyses of water
samples, that the positive ions (cations) and the
negative ions (anions) do not to balance each other. This
may be due to the precision limits of the various
experimental procedures used to measure the ions and/or
due to the fact that some ions may not have been
analyzed. In reality, these solutions must have a neutral
charge.
Water Sample Reconciliation
This example uses the Water Analysis of the StreamAnalyzer to

reconcile the charges to make a solution that is neutral in a
brine from a well that is producing water along with the oil (the
oil phase is not considered in this example).
pH Reconciliation
The pH of the sample is frequently measured, however, since the

analysis is experimental and subject to errors, the pH that is
calculated by the analyzer may be different from what is measured
experimentally. StreamAnalyzer can reconcile this difference.
Add Data As A Standard Stream
Finally, the reconciled sample can be added as a standard stream

and be used in other simulator. We will use StreamAnalyzer to
perform a simple calculation on our reconciled sample.
Return to top
Water Sample Reconciliation
Locate the “Add

Water Analysis”
icon at the
StreamAnalyzer main
window; double-
click the icon to
bring up the
Analysis window. A
few features of
this window are:
The tree-view
displays the
relative positions
of the objects in
this document. In
this case, the
WaterAnalysis1
stream is part of
the overall
document. As more
objects are created
that directly
relate to this
analysis, the tree-
view will expand to
include them.
The Analysis window
has several parts.
The main part is
the input grid in
the center of the
window. Species
concentrations as
well as reportable
items such as
density are entered
here. The field is
scrollable and is
divided into
several sections:
Analysis This section has the total sample quantity,

Parameters temperature and pressure. The default
values are 1 liter, 25 oC and 1 atm.
Recorded These are property values reported from the

Properties lab. The pH of the solution, density, total
dissolved solids and electrical
conductivity may be entered.
Neutrals These are the molecular (neutral) species

in solution. Water is entered by default;
the user may not alter this value. Other
neutrals such as dissolved gases (e.g.,
methane) may be entered in this section.
Cations These are the positively charged species in

solution.
Anions These are the negatively charged species in

solution.
In this example, we want to use the Formula Name Style rather than
the Display name (default) Name Style. This is accomplished by
clicking on Tools on the menu bar and then selecting Names
Manager... in the drop down menu. Click on the Formula radio
button in the Component name style list. Click the OK button to
finish.
Scroll down the analysis grid and enter the water sample
components and quantities listed:
Concentration Anions Concentration

Cations (mg/L) (mg/L)
Ba+2 0.700 Cl-1 37000.000
Ca+2 3800.000 HCO3-1 715.000
Fe+2 9.500 HS-1 4.000

K+1 402.000 SO4-2 2200.000
Mg+2 829.000
NH4+1 140.000
Na+1 20400.000
With all of the species entered, it is time to add a

reconciliation calculation. This can be done by clicking on the
Add Reconciliation button on the upper right side of the screen or
by clicking on the Calculations at the top menu bar and select the
Add Reconciliation menu item.
A new object will
appear under the
stream object in
the tree view on
the left side of
the window. This is
an indication that
the new object is
related to the
parent object. The
program will
automatically give
the reconciliation
a default name of
the word Reconcile
plus a number.
There are several items on this display. The entered analysis is

displayed in the input grid. It is important to note that this is
a copy of what was originally input. The values may be changed
without altering the values in the parent analysis. In addition to
the input grid, there is a Reconciliation box and a Summary box.
Reconciliatio This box sets up both the electroneutrality

n reconciliation and the pH reconciliation.
The user may allow the program to pick the
species to adjust for reconciliation
(dominant ion is the default method) or may
manually choose the adjustment at the
Specs... button.
The pH of the solution may be adjusted

(automatically by adding either hydrochloric
acid or sodium hydroxide) or the user may
specify an acid and base.
Summary This box displays a short list of the

conditions and status of the calculation and
a few results after the calculation has been
performed.
To specify the problem before execution, click the Specs...

button. Several options are available for reconciling the
electroneutrality - Type of balance.
The default method of Dominant Ion will be used for this example;
click the OK button to continue.
Dominant This is the default option. This method
Ion determines the amount of imbalance in charge
then uses the counter ion with the largest
concentration on an equivalent basis. This
sample currently has too much positive charge
(approximately 0.062 equivalents). The largest
counter charge is the negatively charged
chloride ion. 0.062 equivalents will be added
which is approximately 2209 mg/L of Cl-1 ion.
Prorate In our example, there is too much positive

charge. The Prorate method, if employed, would
keep the relative amounts of all the
negatively charged species the same and add a
percentage multiplier to all such species
until electroneutrality was achieved. If the
sample resulted in too much negative charge,
this method would keep the relative amounts of
all the positively charged species the same
and add a percentage multiplier to all such
species until electroneutrality was achieved.
Prorate In our example, there is too much positive

Cations charge. The Prorate Cations method would keep
the relative amounts of all the negatively
charged species the same and add a percentage
multiplier to all such species until
electroneutrality was achieved.
Prorate In this example, there is too much positive

Anions charge. In a case where there is too much
negative charge, the Prorate Anions method
would keep the relative amounts of all the
positively charged species the same and add a
percentage multiplier to all such species
until electroneutrality was achieved.
Na/Cl This method chooses either sodium ion or

chloride ion as the adjusting species
(depending on imbalance) regardless of the
largest species concentration.
Make-up Ion This option allows for a single ion species to

be adjusted. In this example, there is too
much positive charge. If the magnesium ion was
chosen, then it would be reduced in
concentration to make the sample electrically
neutral.
User Choice The user may pick the cation/anion pair to use
for adjusting. Unlike the Make-up Ion method,
this method always adds material since both a
cation and an anion are provided.
Also in the Reconciliation box is the Reconcile pH option. Three

options are available regarding the system pH:
This option does not take the measured

No pH Reconcile pH into account for the calculation.
Auto NaOH/HCl This option uses NaOH and HCl as the

default base and acid for the pH
adjustment.
Select titrant This option allows the user to specify

the base and acid to be used for the
pH adjustment. When this option is
selected, pH is added to the Calc
Parameters section of the problem
definition window along with NaOH and
HCl as the base and acid. The user can
specify the selected base and acid at
the Specs... button.
Return to top
pH Reconciliation
In this example, it is known that the measured pH is 7.1, and we

want to ensure that the solution pH is 7.1 when the calculation is
completed. This will involve adding either an acid or a base to
adjust the pH. We need to add the pH value to two locations in the
grid. The first is the target pH - this is required for the
calculation. The second location is the reported pH. The reported
pH may differ from the target pH. The user may want to see the
effects on the solution at some other condition than the reported
pH, hence the need for two locations.
In the Reconcile pH box, click Auto NaOH/HCl. Enter a pH value of
7.1 at the pH line in the Recorded Properties section and at the
Target: pH entry in the Calc Parameters section.
Click the Calculate button to begin the computation. When the

calculation has finished, scroll down the Summary box on the right
side of the window to see that NaOH was added. Also, click on the
Calculated tab to see the results of the calculation.
Click on the Report tab - notice that the Calculated pH is now

7.1. Scroll down to see additional information for the sample.
Click on the Molecular Basis tab. This will display the sample in
terms of molecular (neutral species). Scroll down to see
additional information; results are displayed in blue.
Save, Save, Save

Save check box.
Return to
Add Information as Standard Stream Data top
We now want to add this sample to a molecular stream. Click the

Add as Stream button at the bottom of the Definition window. The
program will allocate the ion concentrations into molecules. The
combination of these species is usually not unique, but, however
allocated, the elemental material balances will be preserved. The
treeview will be updated to display a new stream, Stream2.
Click the Add Calculation button and then the Single Point menu
item, and then the Calculate button.
When the calculation is complete, some results will be displayed
in the Summary window at the right side of the window.
The pH has been calculated at 7.1. The stream has been

successfully copied!
Save Your Work!

Corrosion of Iron in Aqueous Solutions
This example presents two illustrations of corrosion analysis

utilizing the OLI CorrosionAnalyzer:
In this illustration, a real-solution stability diagram will be

generated for water in contact with an iron surface metal to
demonstrate that a passivation layer develops at specific conditions
of pH and Eh.. Sulfuric acid and sodium hydroxide will be used to
vary the pH of the water. The effect of the sulfur and sodium in
solution will be taken into account.
Corrosion Rate of Steel in Aqueous Brines
In the second illustration of this example, the uniform rate of

corrosion will be calculated for an aqueous brine in contact with a
generic steel surface. The brine is composed of water, NaCl and CO2,
representative of a fluid recovered from oil well production.

Return to top
At the opening screen

of CorrosionAnalyzer,
double click the Add
Stream icon to create
a new stream.
The program will display the Definition tab. As in StreamAnalyzer,
single point and survey calculations may be performed, although
CorrosionAnalyzer also offers the ability to study stability
diagrams and perform rate calculations.
It is advisable to enter a brief description of the stream so that

it is possible to later identify what the thoughts were when the
file was created. Click on the Description tab, enter some
descriptive information and then return to the Definition window.
We wish to use metric units for this example. At the Tools button
on the top menu bar, select Units Manager from the list. Click the
down-arrow in the drop-down list box under the Standard radio
button, highlight Metric, and click the OK button.
Enter the following species into the Inflows grid
at the Definition window:
Note: The name may change to a

“spelled out” format. Use the
NaOH
Names Manager in the Tools menu to
alter the display if desired. For
H2SO4
these examples, select Formula
display.
Water is the default species and is always set to a default value

of 55.508 moles. Leave the remaining fields blank and the default
Stream Parameters unchanged.
Note that it is not necessary to include elemental iron in the
stream composition. Although it is permissible to include a
corroding metal in the stream, it would not correspond to reality
(e.g., a steel pipe is not a component of a stream) and would
actually increase the computation time
The stream is now

sufficiently defined
to add a stability
diagram calculation;
click on the Add
Calculation button
and then the
Stability Diagram
menu item. Notice
that a new branch has
been added in the
Tree View with the
name Stability
Diagram1.
Click the
Description tab to
add descriptive
information and
change the
calculation name, if
desired; click the
Definition tab when
finished to return to
the problem
definition window.
We will now set up

the calculation.
Notice that the indicator on the Next button on the toolbar is red
and the indicator on the Calculate button is gray. This shows that
the problem is not sufficiently defined to be calculated. Clicking
the Next button will bring up a display that describes what needs
to be provided for the calculation to proceed. At the moment, the
surface metal needs to be specified.
This message can also be found at the bottom of the Summary box on
the right side of the program window.
The program will attempt to determine the surface metal

automatically from the list of inflows. Frequently this will be
iron, as it is in this case, but other metals may be used. Click
in the white box under the Contact Surface header and enter the
species Iron/Fe.
Notice that as soon as the surface metal was entered, the

indicators changed from red and gray to green showing that the
problem is sufficiently specified to proceed with the calculation.
We need to verify that oxidation and reduction have been turned on
in the chemistry model. Click on the Chemistry menu item in the
top toolbar and then select Model Options...
There are many options to select from. Currently, we are only

concerned with Redox. Click on the Redox tab.
All redox systems are free to be chosen, but this will usually
result in long computation times. It is advisable to choose the
redox systems that are relevant to the studied corrosion
processes. In this example, the iron and sulfur systems will be
chosen. This means that the program will consider all redox states
of iron (i.e., 0, +2 and +3) and those for sulfur (-2 to +6). For
the moment, leave the sulfur subsystem unchecked; it will
eventually be selected when hydrogen sulfide is added.
Click the OK button to return to the problem definition.
Under the Definition tab click the Type of diagram button and
select the Pourbaix Diagram (program default). This plots
potential on the Y-Axis and pH on the X-Axis. Click on the
Specs... button to furnish the remaining missing information.
Click on the Axes category item on the left pane. The titrants
that will adjust the pH of the solution also need to be specified.
Another program default is to use hydrochloric acid (HCl) and
sodium hydroxide (NaOH) as the acid and base titrants. We do not
wish to use HCl as adding chlorides can complicate the iron plots.
In the Titrants box, click the Select radio button and then the pH
Titrants button.
Select H2SO4 as the acid and NaOH as the base titrants; click on
the OK button.
Click on the Display category item. For this example, we will
accept the default which is to shade the iron solids for the Shade
subsystem. The Display Subsystems pane will only display the
selected subsystems. In this case only iron and water will be
displayed. The subsystems are still calculated if they are not
checked, merely not displayed. Accept the default entries; click
the OK button.
The problem is now fully specified and is ready to be calculated

by clicking the Calculate button.
When the calculation has finished, click on the Stability Diagram
tab to view the results:
The diagram is useful for assessing the corrosion behavior of
iron. First, the equilibrium lines between elemental iron (i.e.,
Fe(s)) and other species can be found.
The diagram shows that elemental iron can be oxidized to the Fe2+
ions (i.e., Fe+2) in acidic, neutral and weakly alkaline solutions
(for pH below ca. 9.5) and to the Fe(OH)3-1 ions (i.e., FEIIOH3-1)
in alkaline environments (for pH above ca. 11.5).
The oxidation of iron can be coupled with the reduction of the H+

ions because the H+/H2O equilibrium line (denoted by a) always
lies above the lines that represent the oxidation of iron.
Therefore, corrosion of iron can occur with the evolution of
hydrogen and formation of soluble iron-containing ions (either
Fe2+ or Fe(OH)3-).
Save, Save, Save
Save check box.
Return to
Corrosion Rate of Steel in Aqueous Brines top
In this section of our corrosion example, the uniform corrosion

rate of generic mild steel in a carbon dioxide containing brine
will be calculated. This is representative of fluid recovered from
oil production.
As in the previous section, we will create a stream and then

perform calculations. Click on the Streams line in the tree view
and double-click on the Add Stream icon to add a new stream.
Specify the new stream with the following composition:
o
Temperatur 20 C
e
Pressure 30 atm
H2O 55.50 moles

8
CO2 1.0 moles
NaCl 1.0 moles
Notice that there are no titrants for this type of diagram. We

also have not specified any alloys; this will be done in the rates
calculation. Click the Add Calculation button and then the
Corrosion Rates menu item.
The program automatically opens at the Definition tab. If desired,

descriptive information may be entered at the Description tab.
Temperature Survey
We will first perform a temperature survey for which we wish to

specify a range other than the default. We want to simulate from 0
to 200 oC in 10 oC increments.
Click the Specs... button and modify the defaults to these desired
values (this dialog is analogous to the range display in the
StreamAnalyzer).
Click the OK button to close the Specs... window.
The current list of metals is displayed in the Contact Surface

section of the problem Definition. For this example, we will
consider carbon steel, Carbon Steel G10100 (generic).
Verify that only iron is selected in the redox subsystems at Model

Options / Redox item under the Chemistry menu item in the toolbar.
In the Flow Conditions box, we will accept the default condition,
Static, to simulate static conditions.
The problem is now specified and we are ready to proceed with the
calculation; click the Calculate button. When finished, click on the
General Corr. Rate tab.
This diagram shows that the rate of corrosion increases with rising
temperature up to about 60 oC when the rate begins to decrease.
Further analysis would reveal that the solid FeCO3 (siderite) has
precipitated and has formed a passivating layer.
Now click on the Report tab. Scroll down to find the Calculated
Rates section to show the tabulated results at 10 oC increments.
Click on the Polarization Curve tab. The curve displayed corresponds
to 0 oC (Point 1 of 21). The Curves button in the upper right corner
of the window can be used to display the polarization curve at
different temperatures. The symbol marks the mixed potential. It
is this point that determines both the corrosion rate and the
corrosion potential. The is roughly at the intersection of the
"H2CO3 = 0.5H2 + HCO3(-) - e" and the "Fe = Fe(2+) + 2e" lines. This
means that the reduction of H2CO3 and oxidation of Fe control the
rates of corrosion. If the appeared on a vertical line, then we
could say that the current had reached a limit (either a limiting
current density on the cathodic branch or a passive current density
on the anodic branch).
Flow survey
We will now run another calculation only at 20 oC while performing

a flow survey. This simulates the movement of fluid through a
pipe. We will need to specify the diameter of the pipe and the
fluid flow. Click on the parent stream in the Tree View and add a
new rates calculation by clicking on the Add Corrosion Rates
button. Click on Type of rates calculation (the button will be
displaying Temperature) and select Pipe Flow; the default diameter
will be 0.1 m.
Click the Specs... button to specify the problem operating
conditions. Enter a Start value of 0 m/s, an End value of 20 with
an Increment of 1.0; click the OK button
Click on the Calculate Button; select the General Corr. Rate tab
when the calculation finishes.
The asymptotic behavior of the rate is due to a mass-transfer
phenomena. At low flow rates, the mass transfer of the main
corrosive agents (H2CO3 and H+) influences the corrosion rate. At
high flow rates, mass transfer is so fast that the interfacial
reactions proceed under activation control.
Save, Save, Save
Save check box.

Corrosion of Stainless Steel in Seawater
The power of OLI 's SCOREAnalyzer becomes apparent as we study the

chemistry of oxidation and reduction. This application is divided
into 2 parts:
Seawater
The first section shows how to enter a water sample analysis for a
typical seawater. The seawater analysis will be reconciled for
electroneutrality and pH. This water will then be placed in contact
with 304 SS to demonstrate the corrosion affect on the metal with a
corrosion rate survey. The corrosion rate vs. temperature curve will
be displayed. The probability of localized corrosion will also be
displayed.
Aerated Seawater
A second analysis will be performed with air in contact with the

seawater. Air, of course, contains oxygen which will be introduced
to show how oxygen affects corrosion rates.
Seawater Return to top
Locate the “Add SCORE Analysis” icon at the SCOREAnalyzer main

window; double-click the icon to bring up the main analyzer
window. A few features of this window are:
The tree-view displays the relative positions of the objects in

this document. In this case, the Analysis1 stream is part of the
overall document. As more objects are created that directly relate
to this analysis, the tree-view will expand to include them.
The Operating Conditions section defines the temperature and

pressure at which the sample will be calculated. The default
values are displayed. They may be changed as required.
The Water Analysis box is where the concentrations of the cations

and anions in solution are entered. Neutral species can also be
entered. The yellow field for water indicates that this value can
not be changed - it will be calculated. The radio buttons for No
pH and Use pH allow the sample to be reconciled to a specific pH.
The Specs... button allows the method of reconciliation to be
altered.
A gas that may be in contact with the water can be entered at the
Gas Analysis section. This section will be looked at in more
detail in the Aerated Seawater section of this example.
The Oil Analysis section allows an oil sample to be entered

similarly to the gas analysis. Oil will not be used in this
example.
The Phase Proportions section allows the total flow and the ratios
of gas to liquid to be specified.
The final section is where the reconciliation calculation is

initiated. Once the sample has been reconciled, scaling and
corrosion rate calculations can be added (this will be reviewed in
more detail later in the example).
The Summary section shows what has been accomplished thus far in
the calculations.
o
Temperatur 15 C
Enter the
e
following
Operating
Pressure 1 at
Conditions
m
Add the cation Na+1 1070 pp

and anion 0 m
concentrations in
the Water Mg+2 1300 pp
Analysis section m
making sure that
the Basis box Ca+2 400 pp
indicates Mass m
Fraction

Cl-1 1900 pp
0 m
SO4-2 2750 pp
m
HCO3-1 150 pp
m
Click the Use pH pH 8.0

button and enter
the lab analysis
pH value.
The input should look like the following figure:
At this point, enough information has been entered to initiate the

stream reconciliation by clicking the Reconcile button.
After the reconciliation is complete, several additional buttons

become active. Many of the features of these buttons are covered in
other areas of the Help system. Click the Corrosion Rates button to
continue.
This brings up the problem Definition window for the rates
calculation (the layout is the same as for CorrosionAnalyzer):
Notice that the

Tree-View has
expanded to show
that there is a new
object under stream
Analysis1 for the
rates calculation
named Rates1 (or a
different name on
your computer).
Click the Type of
rates calculation
button in the upper
right-hand corner
of the window. Make
sure the type is
Temperature
(default).
Now click the Specs... button to specify the range of the

temperature calculation. Set the starting temperature to 0 oC, the
ending temperature to 50 oC and the increment to 10 oC; click the
OK button.
In the Flow
Conditions section,
change the
conditions from
Static (default) to
Pipe Flow. The
default conditions
will be kept at
0.10 m Pipe
Diameter and 2.0
m/s Flow Velocity.
The contact surface

now needs to be
specified. Locate
the Contact Surface
region. We are
interested in 304
stainless steel
instead of the
default Carbon
steel G10100
(generic); click
the box to activate
the drop-arrow and
find Stainless
steel 304.
The problem is now

ready to be
calculated; click
the Calculate
button. When the
OLI Orbit closes,
the results are
ready to be
reviewed.
Click on the General Corr. Rate tab:
This plot shows the rate of general (uniform) corrosion as a

function of temperature.
Now click on the Localized Corr. tab:

The corrosion potential (circles) and the repassivation potential
(triangles) are displayed. The farther apart these lines the less
likely a pit will form and if a pit does form, there is a
likelihood that the pit will passivate. Things look good for 304
stainless.
Now click on the Polarization Curve tab. The polarization curve

shows what would actually be measured in the field (The bold-red
line) and the partial processes that make up the line. The default
display is the first point in the survey, 0 °C. We want to look
at 10 °C. Click on the Curves button located near the top right-
hand corner of the display. Select the 10 oC in the Survey Points.
Click the OK button. This plot displays the partial chemical
processes taking place on the surface of the metal. The triangle
represents the current and potential that goes into the corrosion
rates calculation. In the plot the current that the triangle
pointing at is about 0.22593 µA/sq-cm. The partial processes
taking place is the oxidation of the steel into solution and the
reduction of water.
Save, Save, Save

Save check box.
Return to top
Aerated Seawater
We will now
repeat these
calculations
but will
include air in
contact with
the brine.
Locate the
Analysis1
object in the
tree-view;
click it to
return to the
Specification
window.
Locate the Gas

Analysis
section in the
mid-section of
the window.
The air will
be added in
this section
on a Partial
Pressure
Basis.
We will begin
by adding
nitrogen;
enter N2 into
the Variable
column.
The first
species
entered will
be the
normalizing
value and it
is indicated
by a yellow
box. We can
not enter the
composition of
nitrogen.
Now add O2
with a value
of 0.21 atm.
Notice that
the N2 value
should be
normalized to
0.79 atm.
However, the
change may not
be reflected
right away.
Finally, add
0.0003 atm of
CO2. Note that
the N2 value
has again
normalized to
0.7897 atm.
Now that the

gas
composition
has been
defined, we
need to
provide the
program with
the amount of
gas present.
Locate the
Phase
Proportions
section.
Change the
radio button
to Ratios.
We want to
make sure that
there is
enough air in
contact with
the water
sample; set
the Water/Gas
Ratio to 0.01.
This gives
about 100
times more air
than water.
The sample
should be
saturated with
respect to the
gas.
The sample has been changed considerably and needs to be re-

reconciled; click the Reconcile button. Once the calculation is
complete, a new rates calculation can be created. The procedure
for this calculation is exactly the same as before. Click the
Corrosion Rates button. Following is a summary of what needs to be
set:
Calculation
Temperature
Type:
Range: 0 - 50 oC
Increment: 10 oC
Flow
Pipe flow
Conditions:
Range: Default settings
Contact
304 SS
surface:
Click the Calculate button when ready. When the calculation

finishes, click on the General Corr. Rate tab:
The corrosion rate is approximately the same as for the non-
aerated sample. This would indicate that oxygen has little effect
on the corrosion rate. However, it should be noted that this is
only general (uniform) corrosion. So, we need to investigate what
happens to localized corrosion.
Click on the Localized Corr. tab:

This plot is considerably different from the case with no oxygen.
In this plot, the corrosion potential is above the repassivation
potential for the entire temperature range. This indicates that if
a pit nucleated, it would continue to grow.
The "Pit Current Density" indicates the maximum propagation rate

of an individual pit. This gives us the worst-case propagation
rate for localized corrosion.
Click on the Polarization Curve tab:

In the new polarization curve, there are two new features:
(1) The "O2 + 4H(+) = 2H2O - 4e" line shows the reduction of
oxygen, which is the main cathodic process, and
(2) The "Peak Current Density" line shows the polarization curve
that would be obtained in the presence of localized corrosion. The
anodic branch of the "Peak Current Density" line corresponds to a
reverse polarization scan after localized corrosion is
established.
Return to top
Conclusions and Future
Study
This example shows that the SCOREAnalyzer is a valuable tool for

looking at water and gas analyses. The mixing of samples is easily
accomplished and looking at corrosion rates is a simple task.
Areas for future study with this stream could be:
 the effect of oxygen concentration on the corrosion rates
 the effect of different metal types on the corrosion rates
Save, Save, Save

Single Point Calculations - Isothermal
Isothermal calculations require the specification of temperature,

pressure and component inflows. No other specifications are
required.

Single Point Calculations - Isenthalpic
In this calculation, the inflow values are specified, the enthalpy

is known and entered as the target (in this case the value is
-3.8000E+06 calories). The temperature is adjusted by the program
to match this enthalpy - the yellow dot on the temperature line
shows that it is the adjusted variable. A reasonable guess value
should be entered as the starting point for the calculation.
The calculated temperature can be seen in the Summary window and

at the Report tab.

Single Point Calculations - Bubble Points
A bubble point calculation can be performed by adjusting either

the temperature or pressure to form a very small amount of vapor
(1.0x10-7 grams; the amount is set in the program and can not be
adjusted by the user).
In this example, temperature is adjusted to reach the bubble point

- the yellow dot shows that temperature is the adjusted
variable.
By contrast, a dew point calculation will adjust either the

temperature or pressure to form a very small amount of condensate
(1.0 x 10-7 grams).

Single Point Calculations - Dew Points
A dew point calculation can be performed by adjusting either the

temperature or pressure to form a very small amount of liquid
(1.0x10-7 grams; this is set in the program and can not be adjusted
by the user).
In this example, temperature is adjusted to reach the dew point -

the yellow dot shows that temperature is the adjusted variable.
By contrast, a bubble point calculation will adjust either the

temperature or pressure to form a very small amount of vapor (1.0
x 10-7 grams).
Single Point Calculations - Vapor Amount
A vapor amount calculation is similar to a vapor fraction

calculation in that it adjusts either the temperature or
pressure to form a fixed amount of vapor. The value is entered
by the user in the Known: field under Calc Parameters.
In this example, the temperature will be adjusted until 1.0 mol

of vapor is generated.
The yellow dot shows that temperature is the adjusted
variable; pressure can alternately be selected as the
manipulated variable by clicking the appropriate button at the
Bubble/Dew Point box.
Single Point Calculations - Vapor Amount
A vapor amount calculation is similar to a vapor fraction

calculation in that it adjusts either the temperature or
pressure to form a fixed amount of vapor. The value is entered
by the user in the Known: field under Calc Parameters.
In this example, the temperature will be adjusted until 1.0 mol
of vapor is generated.

variable; pressure can alternately be selected as the
manipulated variable by clicking the appropriate button at the
Bubble/Dew Point box.
Single Point Calculations - Vapor Fraction
A vapor fraction calculation is similar to bubble point or

vapor amount calculations in that it adjusts either the
temperature or pressure to form a vapor amount that is a
specified fraction of the total system. The value is specified
by the user and entered in the Known: field under Calc
Parameters.
In this example, temperature is adjusted to generate vapor that

is 10% of the total system (0.1 moles of vapor / total system
moles).

variable; pressure can also be selected as the manipulated
variable by clicking the appropriate button at the Bubble/Dew
Point box.

Single Point Calculations - Set pH
This example illustrates using a titrant to reach a desired pH.

The Target pH: value is entered as part of the problem
definition and the Titrant is selected using the Specs...
button.

Single Point Calculations - Set pH
This example illustrates using a titrant to reach a desired pH.

The Target pH: value is entered as part of the problem
definition and the Titrant is selected using the Specs...
button.

Single Point Calculations - Composition Point
This calculation allows for the specification of a solution

species at a fixed value. The user selects the Target species and
then specifies the amount. Next the user will select the component
to Vary to match the fixed value.
See the Specs... button to select the Target and Vary species.

Single Point Calculations - Custom
This calculation allows for great flexibility in specifying a

condition.
In this example, the solid amount of calcium carbonate (Target 1:

CaCO3(s)) and the vapor concentration of carbon dioxide (Target 2:
CO2) will be fixed. The inflow amounts of calcium carbonate and
carbon dioxide will be adjusted (Vary 1: CaCO3, Vary 2: CO2).
The total number of targets must equal the number of varied

entries.
See the Specs... button to make selections.
Survey Calculations - Temperature
Temperature surveys are performed over a range of temperatures.

Specify the temperature range by clicking on the Specs...
button.
The Temperature Range can be specified in 2 ways:
1. Selected Range - the End Points are specified with a Step

Size of a set Increment or Number of Steps. Any number of
ranges may be added by clicking on the New button and
removed with the Delete button. (The scale of the range can
be set to either Linear or Log by selecting the appropriate
radio button.)
2. Point List - clicking on the Point List radio button
produces a list of individual survey points. The user can
add points at any value by clicking the Add Point button;
edit point values by clicking any point in the Value column
and typing in a new number; remove points by clicking the
Remove Pts button.
Click the OK button when finished.
As in the
Composition Survey,
a secondary survey
can also be
performed. Review
Survey Calculations
- Composition to
learn of available
options.
Additional simultaneous calculations may be performed by selecting

the Calculation Type branch in the Category tree under Specs...

Survey Calculations - Pressure
These calculations are performed over a range of pressures as

specified using the Specs... button.
As in the
Composition Survey,
a secondary survey
can also be
performed. Review
Survey Calculations
- Composition to
learn of available
options.


Survey Calculations - pH
pH calculations are performed over a range of pH values. An acid

and base titrant are required to be specified. The titrants and
the pH range limits are selected via the Specs... button.
 first the natural pH of the solution is determined (without

any titrants added)
 next the component selected as the acid will be used to drop

the pH to the lower limit
 then the base will be used to raise the pH to the upper
limit
As in the
Composition Survey,
a secondary survey
can also be
performed. Review
Survey Calculations
- Composition to
learn of available
options.

Survey Calculations - Composition
Composition surveys are performed over a range of component

compositions. Select the component to vary by clicking on the
Specs... button.
A secondary survey
can also be
performed by
clicking on the
Then by button and
selecting from:
These calculations are:
Vapor Fraction
Isothermal
Bubble Point Set pH
Dew Point Precipitation Point
Vapor Amount Composition Point
If multiple surveys
are selected, the
user has the option
to select if the
variables will be
changed
Independently or
Together by clicking
on the radio button
at the Vary box..
This curve presents the results with the surveys run

independently:
This curve represents the surveys run together:

Reconciliation Data
Water samples
are
electrically
neutral;
unfortunately,
most laboratory
samples are
not. Water
samples must
balance
mathematically
before
simulation work
can continue
with them.
StreamAnalyzer'
s Water
Analysis will
be used to
balance the
sample.
In the
Reconciling Oil
Field Brian
Example, we
have an excess
positive
charge. Several
reconciliation
methods are
available to
select from:
Type of Explanation Example

Balance
Dominant The largest In this example, there is
Ion concentration counter too much positive charge.
ion is used to correct 2208.945 mg/L of chloride
the electroneutrality. ion needs to be added
Prorate Equal percentages of In this example, the anions

each of the would be adjusted as
insufficient counter follows:
ions will be adjusted.
 2093.327 mg/L of
chloride ion
 40.452 mg/L of
bicarbonate ion
 0.226 mg/L of
hydrogen sulfide ion
 124.468 mg/L of
sulfate ion
Prorate An equal ratio of all In this example, the anions

Cations cations will be would be adjusted as
adjusted to balance follows:
the charge.
 -0.037 mg/L of barium
ion
 -203.478 mg/L of
calcium ion
 -0.509 mg/L of iron

ion
 -21.526 mg/L of
potassium ion
 -44.390 mg/L of
magnesium ion
 -7.497 mg/L of
ammonium ion
 -1092.357 mg/L of
sodium ion
Prorate An equal ratio of all In this example, the anions

Anions anions will be would be adjusted as
adjusted to balance follows:
the charge.
 2093.327 mg/L of
chloride ion
 40.452 mg/L of
bicarbonate ion
 0.226 mg/L of hydrogen

sulfide ion
 124.468 mg/L of
sulfate ion
Na/Cl Either sodium ion or In this example, there is

chloride ion is used too much positive charge.
depending the charge 2208.945 mg/L of chloride
imbalance. ion will be added
Make-up Either a cation or In this example, there is

Ion anion (selected by the too much positive charge. If
user) will be adjusted the bicarbonate ion ion is
as necessary to selected, then 3801.760 mg/L
balance the charge. If will be added.
a cation is selected
when there is too much
positive charge, the
program will display
an error message and
will not allow the
specification to
continue until an
anion is selected.
User The program determines In this example, there is
Choice whether an anion or a too much positive charge.
cation needs to be The only choices are to
used to balance the select an anion. If the
solution. The user sulfate ion is selected,
selects the specific then 2992.684 mg/L will be
ion to use. added.
Stability Diagrams - Why is it useful to look at
stability diagrams?
 Corrosion is observed when oxidation of the metal of

interest leads to the formation of soluble metal species and
can occur simultaneously with some reduction reactions.
 Similarly, passivation is observed when the oxidation of the

metal leads to the formation of a protective layer of a
sparingly soluble compound.
 A line that represents a reduction reaction (e.g., reduction
of atmospheric oxygen to water) must lie above the line that
represents an oxidation reaction (e.g., oxidation of a metal
to aqueous ions or a potentially passivating oxide).
 The corrosion potential will establish itself somewhere

between the equilibrium potentials for the oxidation and
reduction reactions.
 Thus, it is possible to find out whether a certain species

from one subsystem can be oxidized and, simultaneously, a
certain species from the other system can be reduced.

Stability Diagrams - How to read Stability
Diagrams?
What are the solid lines?
 Boundaries between stability areas of a solid and an aqueous

species or two aqueous species
 Boundaries between an aqueous and a solid species: a solid

starts to precipitate or dissolve in an aqueous phase
 Boundaries between two aqueous species: the conditions for

which the activities of the species are equal
What are the dashed lines?
 Boundaries between stability areas of two aqueous species

that coexist with at least one solid phase.
 They are found only within the stability ranges of solids.
What are the areas delimited by the solid lines?
 Stability fields of solid or aqueous species
 If the conditions are within the stability field of a solid,

the solid is stable and usually coexists with an aqueous
phase
 If the conditions are within the stability field of an

aqueous species, no solid can be stable and this species is
predominant in the solution.
What are the areas delimited by dashed lines?
 Stability fields of predominant aqueous species that coexist

with one or more solid phases.
 Dashed lines can be found only within the stability fields

of solid species.
 Names of aqueous species that are predominant only in the

presence of a solid phase but not in a homogeneous solution
are printed with small characters.
What are the lines denoted by "a" and "b"?
 "a" and "b" lines represent the thermodynamic stability of

water. They are placed where water will begin to break down
into either H2 and OH- ions (below the H2 ("a") line) or O2
and H+ ions (above the O2 ("b") line).
 If the system is at steady state between the two lines,

there will be no breakdown of water.
 In general, corroding systems are not at thermodynamic

equilibrium. That state is only achieved when all of the
metal has been corroded to the most stable oxide.

Stability Diagrams - Features
What is the range of immunity to corrosion?.
 Stability field of elemental metal or alloy

What is the range of corrosion?
 Stability fields of dissolved (ionic or neutral) metal

species in which neither the metal nor passivating solids
are stable.
What is the range of possible passivation?
 Stability field of a sparingly soluble compound (usually an

oxide or hydroxide or salt)
o This compound will form a layer on the surface of the

metal, which may protect the metal from corrosion.
o Having determined that a layer is formed, it is

necessary to verify whether it is protective or not
because this depends on the crystalline structure of
the sparingly soluble compound.
How to find out whether corrosion in the absence of oxygen
is possible?
 In the absence of oxygen, the most common reduction reaction

is the reduction of the proton to elemental hydrogen (as
shown by line a)
 For a corrosion process to proceed, the line a must lie

above a line that corresponds to an equilibrium between the
metal and metal-containing ions.
How to find out whether corrosion in the presence of
oxygen is possible?
 In oxygen-containing solutions, O2o can be reduced to H2O

(line b)
 For a corrosion process to occur, the line b must lie above

a line that corresponds to an equilibrium between the metal
and metal-containing ions.
 Passivation is likely if b lies above a line that

corresponds to an equilibrium between the metal and a
sparingly soluble compound.
Stability Diagrams - Specs - Pourbaix
(Potential vs. pH)
Pourbaix (Potential vs. pH): This is the traditional E vs. pH

diagram. The electrochemical potential is varied along with the
pH. The stability fields of the metals, ions and solids are then
displayed.
Display Choices
Click here for more information.
Plot Variables
Minimum Activity
Stability Diagrams - Specs - Potential vs.
Species
Potential vs. Species: This diagram plots the potential vs. the
species concentration. The user selects from a list of species.
Display Choices
Plot Variables
Minimum Activity
Chemical Diagrams - Species vs. Species
Species vs. Species: This diagram displays a stability field for

two species plotted against each other. Redox is not required for
this calculation.
Display Choices
X Axis
Y Axis
Chemical Diagrams - Species vs. Species
Species vs. Species: This diagram displays a stability field for

two species plotted against each other. Redox is not required for
this calculation.
Display Choices
X Axis
Y Axis
Stability Diagrams - Selecting pH Titrants
For the x-axis, the program will determine the natural pH of the
solution based on inflow values. The system will then be titrated
across the pH Range with an acid and a base. Auto HCl/NaOH can be
selected at the Titrants box at the stability diagram Specs...
button to automatically use HCl and NaOH or specific titrants can
be selected to lower and raise the pH.
Users are required to know which titrant is an acid and which is a
base.
Hide Related Click to show only those inflows you entered.

Inflows
New Inflow Click to add a new inflow not previously
entered.
Acid Select the acid titrant from the list to use to

lower the pH.
Base Select the base titrant from the list to use to

raise the pH.
Stability and Chemical Diagrams - Diagram
Choices
When the "Stability Diagram" is

chosen, user can have two types
of diagram choice: Pourbaix
Diagram and Potential vs.
Species.
When the "Chemical Diagram" is

chosen (under the Calculations
menu item), user can have two
types of diagram choice:
Species vs. Species and Solids
Yield.
Diagram Type Pourbaix This is the traditional E vs. pH

(Potential diagram. The electrochemical
vs. pH) potential is varied along with
the pH. The stability fields of
the metals, ions and solids are
then displayed (details).
Potential This diagram plots the potential

vs. Species vs. the species concentration.
The user selects from a list of
species (details).
Species vs. This diagram displays a

Species stability field for two species
plotted against each other.
Redox is not required for this
calculation (details).
Solids Yield This diagram simulates the

synthesis of hydrothermal solids
with expected yields and
purities (details).
Stability Diagrams - Specs - Pourbaix - Axes

X-Axis: pH Range Enter the starting and ending
values for the pH range. Keep
in mind that you might specify
a pH which will not converge.
X-Axis: Titrants
Auto HCl/NaOH Select the Auto HCl/NaOH

option for the program to
automatically use HCl and NaOH
as the titrants.
Select To use titrants other than HCl

and NaOH, click the Select
radio button and then the pH
Titrants button to specify the
titrants; see Stability
Diagrams - Selecting pH
titrants
Y-Axis: Potential Range
Start / End Enter the starting and ending

potentials. It is recommended
to keep the range symmetrical
and not exceed ± 2.0 volts.
Rates of Corrosion - Contact Surface
Select a metal
from the drop-
down list to
evaluate
potential
corrosion
effects:
Rates of Corrosion - Flow Conditions
The movement of the fluid that is in contact with the corroding

metal can be defined in several ways:
Flow Conditions / Parameters Specifications

No fluid flow; no
specifications; natural
diffusion controls the mass
transfer from the bulk phase to
the metal surface.
Specify the pipe diameter in

meters and the fluid flow in
meters per second.
To simulate a system that has a

fixed mass transfer of fluid
from the bulk phase to the
metal surface, several disks
(in parallel) are rotated.
Specify the disk diameter and
rotation speed in meters and
cycles per minute,
respectively.
To simulate a system that has a

fixed mass transfer of fluid
from the bulk phase to the
metal surface, several
cylinders (in parallel) are
rotated. Specify the rotor
diameter and rotation speed in
meters and cycles per minute,
respectively.
The fluid is completely mixed

such that mass transfer can be
ignored.

Plot - Customize - Variable Settings
Curves Click to select the variables. Pressing down

the Ctrl key allows multiple selection.
Auto Legend Check the box to use the automatically

Text generated legend text. Otherwise user can edit
desired text.
Auto Line Style Check the box to use the automatically

selected line style. Otherwise use the drop-
down arrow to select from desired line styles
or no line.
Auto Line Check the box to use the automatically

Weight selected line weight. Otherwise user can
select the size of the line weight; larger
values are thicker lines.
Auto Color Check the box to use the automatically
selectied line color. Otherwise user can
choose the color for the selected variable.
Auto Symbol Check the box to use the automatically

selected symbol. Otherwise use the drop-down
arrow to select a symbol from a large list or
no symbol.
Auto Scaling Check the box to use the automatically

Factor selected the size of the symbol. Otherwise
user can choose desired symbol size.
Hidden Check the box to hide the selected curve from

displaying.

Plot - Customize - Variable Settings
Curves Click to select the variables. Pressing down

the Ctrl key allows multiple selection.
Auto Legend Check the box to use the automatically

Text generated legend text. Otherwise user can edit
desired text.
Auto Line Style Check the box to use the automatically

selected line style. Otherwise use the drop-
down arrow to select from desired line styles
or no line.
Auto Line Check the box to use the automatically

Weight selected line weight. Otherwise user can
select the size of the line weight; larger
values are thicker lines.
Auto Color Check the box to use the automatically
selectied line color. Otherwise user can
choose the color for the selected variable.
Auto Symbol Check the box to use the automatically

selected symbol. Otherwise use the drop-down
arrow to select a symbol from a large list or
no symbol.
Auto Scaling Check the box to use the automatically

Factor selected the size of the symbol. Otherwise
user can choose desired symbol size.
Hidden Check the box to hide the selected curve from

displaying.

Polarization Curve - Survey Points
Half-Reactions Select the half-reactions to

display.
Select all reactions Click to select all reactions
Survey Points All the survey points that

successfully converged are listed.
You may select as many as you want
to display.
Select all survey Click to select all points (can be

points very messy)

Scaling Tendency Overview
What is a scaling tendency?
It is the ratio of the real-solution solubility product to

the thermodynamic limit based on the thermodynamic
equilibrium constant.
Evaluating the scaling tendency is useful for determining

the possible solid phases that may be present in a
calculation. Each solid is evaluated individually without
consideration of the other possible solids in solution.
See also
Scaling Tendency Example
Temperature Range
Scaling Tendency Example
Consider this dissolution: NaHCO3(s) = Na+ + HCO3-
The Ion Activity Product (IAP) is defined as the product of

specific ions (in this case the ions resulting from the
dissociation of a particular solid).
Let's consider a 1.0 molal NaHCO3 solution:

IAP = m
Na Na m
HCO3 HCO3
Assuming ideal solution activities:
Na = 1.0 = 1.0
HCO3
mNa = 1.0 mHCO3 = 1.0
IAP = (1.0)(1.0)(1.0)(1.0)
IAP = 1.0
The Solubility Product (Ksp) is the thermodynamic limit of ion

availability and has the same functional form.
Ksp = m
Na Na m
HCO3 HCO3
Ksp = 0.403780
The Scaling Tendency is then the ratio of available ions to the

thermodynamic limit.
ST = IAP/KSP
ST = 1.0/0.403780
ST = 2.48
Was assuming ideal conditions valid??
The actual species concentration and activity coefficients are:
Na = 0.598 HCO3 = 0.596
mNa = 0.894 mHCO3 = 0.866
This results in a different IAP

IAP= (0.598)(0.894)(0.596)(0.866)
IAP=0.276
The new Scaling Tendency is therefore:
ST = IAP/Ksp
ST = 0.276/0.40378
ST = 0.683
What does the Scaling Tendency mean?
If ST < 1, then the solid is under-saturated
If ST > 1, then the solid is super-saturated
If ST = 1, then the solid is at saturation
Scaling Index = Log (ST)
Why are the concentrations not equal to 1.0? Speciation and

chemical equilibria tend to form complexes which provide a "sink"
for carbonate species. In this example:
CO2o = 0.016 molal
NaHCO3o = 0.101 molal
CO32- = 0.012 molal
NaCO3- = 0.004 molal

Temperature Range (TRANGE)
What is TRANGE?
TRANGE is the nomenclature for solids that have been fit to

a polynomial form rather than pure thermodynamics. The
polynomial has this functional form:
Log K = A + B/T + CT + DT2
It is known that polynomials may not extrapolate well

possibly resulting in incorrect predictions of Scaling
Tendency. Therefore the applicable range is generally
limited to the data set.
Consider Na2CO3/H2O
There are 4 solids of interest in this system. They are:
Solid Temperature Range

(oC)
Na2CO3•10H2 0 - 35
O
Na2CO3•7H2O 35 -37
Na2CO3•1H2O 37-109
Na2CO3 109-350
This table implies that these solids change their form as the
temperature increases. Each solid was fit to the above polynomial.
There may be problems if the extrapolated values from higher
number hydrates extend to the regions where the lower number
hydrates are stable.
It can be seen that the deca-hydrate species does not extrapolate

well to high temperatures. If we concern ourselves with 350K, we
can can see that if the solid was allowed to be in the model, the
equilibrium based solver will attempt to include it over the
actual solid which is the mono-hydrate.
Since the deca-hydrate species is outside its temperature range,

it will be mathematically eliminated from the equations.

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Welcome to the OLI Analyzers

OLI is a cutting edge chemical process technology and computer

StreamAnalyzer On the stream level, OLI's StreamAnalyzer

With the Water Analysis option, you can

CorrosionAnalyze CorrosionAnalyzer allows the prediction of

SCOREAnalyzer SCOREAnalyzer is a blend of

Other OLI Systems products include:

ScaleChem Designed by and for production chemists and

ProcessAnalyzer At the process level, OLI's ESP (steady

How to contact OLI?

OLI Systems, Inc. is located at:

108 American Road

Morris Plains, NJ 07950

Morris Plains is about 30 miles west of New York City. We are

OLI Systems, Inc.'s working hours are:

Monday - Friday 8:00 am to 5:00 pm (Eastern time)

OLI is closed for the following holidays:

New Year's Day

Do you have feedback about an OLI Analyzer? We would like to

973-539- sales@olisystems.com www.olisystems.co

Several types of calculations can be performed with the OLI

Isenthalpic Vapor Composition Point

Bubble Point Set pH Custom

setting up problems. The first 6 examples are for

StreamAnalyzer. The basic methods used in StreamAnalyzer

are also utilized to solve problems using CorrosionAnalyzer

and SCOREAnalyzer in the last 2 examples.

Stream pH This application uses StreamAnalyzer to

Speciation A 0.1 molal (kgmol / kg H2O) hydrofluoric acid

Nickel in A user is discharging a wastewater that

Let's use StreamAnalyzer to answer the

Solids It is sometimes desirable to determine the

Matrix A matrix acidization job is being designed for

The following questions will be answered using

1. How much HCl is needed to dissolve 250

2. How much HF is needed to dissolve the

Reconciling It is quite common, when reviewing lab

This application presents Water Analysis in

Corrosion of This example presents two illustrations of

In this illustration, a real-solution

Corrosion Rate of Steel in Aqueous Brines

In the second illustration of this example,

Corrosion of The power of OLI 's SCOREAnalyzer becomes

The first section shows how to enter a water

A second analysis will be performed with air

Let's get StreamAnalyzer started with a case to determine

the pH of an aqueous stream...

Click on the Definition tab to enter the following problem

Pressure 1.0 atm

H2O 55.50 moles

FeCl3 1.00 moles

The yellow shaded areas on the stream Definition page denote

The default Type of Calculation is Isothermal; several other types

When the calculation is complete, some basic results are displayed

Save, Save, Save

This would be a good time to save your work. This

can be done using the File/ Save As... menu item or

AutoSave Option can be done using the