Life Cycle Analysis with
Application to Consumer Products
and Pharmaceuticals
A three session introduction to performing and
interpreting a life cycle analysis
David Hitchcock, Mariano J. Savelski,
C. Stewart Slater
Rowan University, Department of Chemical Engineering, Glassboro, NJ
08028
September 2011
1
Three Sessions Overview

Session 1
◦ Overview of Life Cycle Analysis

Session 2
◦ How to use environmental assessment
software, SimaPro®

Session 3
◦ Modeling processes in SimaPro®
2
Life Cycle Analysis General Concepts
SESSION 1
3
Overview
Defining LCI and LCA
 The steps of performing a life cycle
analysis
 Defining the goal and scope of your
project

◦ What do you hope to achieve and what the
boundaries of the project are
The basics of process modeling
 An introduction to environmental impact
assessment

4
LCI – Life Cycle LCA- Life Cycle
Inventory
Analysis


Summary of all the
emissions associated
with the product or
energy used
Based on 1kg of the
product or 1 MJ of
energy
Summary of all the
emissions associated
with the entire process

◦ Raw materials
manufacturing
◦ Energy used
◦ Waste Treatment
Multiply the inventory
by the quantity used to
generate the LCA

LCA 
 LCI
i
Qi
i
i= individual contributors
Q= quantity of i
5
Performing an LCA
There are four main phases in an LCA.
1. Defining the goal and scope
2. Inventory assessment
•
The methods for phases 1 and 2 have been
standardized as can be found in ISO 14040 –
ISO 14043. Standards are followed because
it is the most widely accepted method for
completing your project. Following the
standards gives your results more credibility.
Available for purchase from http://www.iso.org/
The International Standards Organization website
6
Performing an LCA
Impact assessment
3.
◦
4.
A quantification of how the product or
process affects the environment e.g. CO2
emissions, heavy metals, and land occupation
Interpretation of Results
Phases 3 and 4 have not been standardized.
Make sure to use the same method for these
phases throughout the entire project to maintain
validity and credibility.
7
The Goal

Consider the following:
◦ Why is this study being performed?
 Do you want to know the overall environmental impact
or just one component of it such as CO2 emissions?
◦ What is its application?
 The results may be used for economic reasons such as a
CO2 tax
 The results may be used as a basis for changing the
process or raw materials used to decrease the
environmental impact
◦ Who will see the results?
 If the results are for the public, keep details such as
specific chemicals and processes hidden while still
providing accurate results
8
Defining the Scope

The scope is defined by:
◦ The boundaries that you set for the process
 Where your assessment starts and ends
◦ The basis of comparison e.g. amount produced,
amount required for a specific purpose, or a specified
amount such as 1kg of product
◦ Will you ignore the production of useful byproducts or
consider it?
◦ What environmental impacts are considered and how
they are calculated
◦ The data that will be required and quality of it
 What data do you need that is missing and what assumptions
can you reasonably make?
 How accurate do you want the missing data to be?
9
Life Cycle Assessment
Material
extraction
Material
processing
Manufacturing
Recycle
Re-manufacture
Material
Processing
Raw Materials
Use
Product
manufacturing
Waste
management
Re-use
Use
Cradle
Gate
Gate
Where all raw
materials begin
Where everything
enters the plant
Where everything
exits the plant


Disposal
Grave
The end of the
product’s life
The life cycle of a product includes many inputs. The raw materials and
the energy required for every process contribute to the emissions and cost
associated with a product
An LCA can be performed over any boundary
10
Things to Consider for the System
Boundary
Where the analysis begins and ends
Inputs and outputs in the manufacturing/process
sequence
 Production and use of fuels, electricity, and heat
 Manufacture, maintenance and decommissioning
of process equipment
 Requirements to run the plant
 Process waste disposal
 Manufacture of useful byproducts
 Distribution/transportation of product
 Post production utilization
 Recovery and recycling of used products


11
The Basis of an LCA

To examine the environmental impact
associated with a product you need to choose
a basis
◦ 1 kg of product is a typical basis for an LCA, but
many other bases can be used

This is necessary when comparing different
products or processes
◦ Comparing products that serve the same purpose
e.g. alkaline and rechargeable batteries
◦ Comparing different processes for making the
same product e.g. making fudge by hand or in a
factory
12
The Basis for Product Comparison


When comparing different products it is useful
to define the basis as the product’s utility
For example compare rechargeable NiMH and
alkaline batteries
◦ Use the lifetime of 1 pack of rechargeable batteries
as the basis
1 pack of Rechargeable
Batteries
1 pack of Alkaline Batteries
~500 recharges
n/a
4 batteries ~60g
4 batteries ~60g
0.0162MJ to recharge
n/a
◦ 500 packs of alkaline batteries have the same
lifetime as 1 pack of rechargeable batteries
13
The Basis for Product Comparison contd.


This is the comparison using 750mAh, 1.2V NiMH batteries and a
comparable AAA alkaline battery
o It takes 0.0045 kWh to recharge four of these batteries, or 1 pack
o NiMH batteries cost $15.99 while Alkaline batteries cost $5.49
o The average U.S. electricity cost for 2011 was used
(0.127$/kWh)
o It was assumed that the two types of batteries were produced
using very similar processes so the raw materials and waste are
the same
o This is only a comparison of the production and energy
consumption of batteries
For this basis of comparison, the rechargeable batteries have a lower
environmental impact and overall cost to the consumer.
1 pack of
Rechargeable
500 packs of
Alkaline
Difference (A-R)
Total Emissions, kg
4.62
2,210
1,650
Total Energy Required, MJ
88.4
28,300
28,200
19.69
2,745.00
2,725.31
Final Cost to Consumer, USD
14
The Basis for Process Comparison
When comparing processes it is useful to
define the basis as the process output
(product unit)
 For example compare the environmental
impact associated with the production of 1
kg of fudge by two different production
routes

15
Useful Byproducts
You can either ignore these or consider
them in you analysis
 If you choose to consider them:

◦ Know how much is produced
◦ Calculate or research the environmental
impact associated with the production of the
byproducts
 This is based on a process where your byproducts
are the desired product
◦ Credit this impact to your process
 Account for by subtracting from the final LCA
16
Environmental Impacts Considered
Provided for you
 The project sponsor or
your client often
provides the
environmental impacts
to examine
Not provided for you
 You have to chose the
environmental
impact(s)
◦ Air emissions
◦ Water emissions
◦ Soil emissions

Each category has
individual emissions
such as CO2, NOx,
VOCs, and heavy
metals
17
The Basics of an LCI
The LCI data may be provided to you by
your professor or sponsor
 If this is not the case you can generate the
LCI (shown in sessions 2&3) or you can
research for the required data

◦ http://www.cpm.chalmers.se/CPMdatabase/Start.asp
 This site provides LCIs of many products and
processes
◦ Specific literature such as The International
Journal of Life Cycle Assessment
18
LCI Tables

Below is one type of table used to summarize the
LCIs of compounds and manufacturing processes
Category
Total Raw Materials Used
Total Water Used
Units
Kg
Kg
Total CED
Total Air Emissions
Cumulative Energy Demand includes all energy
required for raw material production/
MJmanufacture, in process energy, and waste
equivalent management energy.
Kg
CO2
CO
Methane
Kg
Kg
Kg
NOX
NMVOC
Particulates
Kg
Kg
Kg
SO2
Kg
Kg
Kg
Kg
Kg
Total Water Emissions
VOCs
Total Soil Emissions
Total Emissions
Notes
These are examples of air pollutants that are
commonly reported individually
A commonly reported water emission
Air + Water + Soil emissions
Note: the table can be organized in any way, such
as individual pollutants or types of energy used
19
Jar of Peanut Butter Process Map
Raw Materials
Peanuts
Material
Processing
Product
manufacturing
Roasting/Grinding
Sugar
Use
Distribution
Center
Disposal
Waste
Mixing
Oil
Individual
Packaging
Glass
Polypropylene
Paper
Ink
Cardboard
Film
Retailer
Jar
Production
Lid
Production
Carton
Recycling
Printer
Box
printing/
forming
Shrink
Wrapping
Carton
Packaging
User Storage
and
consumption
20
A Closer Look
Each box in the manufacturing section of
the process map is simplified
 Below is a general diagram of a
manufacturing process

Emissions
Emissions
Raw Materials
Manufacture
Energy
Raw
Materials
Raw
Materials
Emissions
Product
Manufacturing
Process
Energy
Waste
Waste Management
Energy
Raw
Materials
21
Lets Make Chocolate Fudge!

What are the required ingredients?
◦ Milk, chocolate, sugar, corn syrup, salt, butter, additional flavors e.g. nuts, vanilla, mint

How is the fudge made?
◦
◦
◦
◦
◦
◦
◦

Melt chocolate with milk
Mix the sugar, corn syrup, and salt
Boil the mixture
Mix in butter and flavoring
Allow to cool
Cream the fudge by aerating it
Allow to cool and form into desired shape
What materials are used for packaging?
◦ Paper, cardboard, and ink

What about distribution and sales?
◦ Distribution Center-> Retailer -> Consumer
◦ Sold directly to the consumer

Waste and recycling of packaging
http://www.fudge-recipe.com/old-fashioned-fudge-recipe.html
http://www.amfudge.co.za/how_is_fudge_made_.html
22
Fudge Process Map
Raw Materials
Milk
Chocolate
Sugar
Corn Syrup
Salt
Butter
Flavors
Material
Processing
Mixing/Melting
Use
Distribution
Center
Mixing/Boiling
Cooling
Disposal
Waste
Retailer
Creaming
Cooling/Shaping
Packaging
Paper
Cardboard
Product
manufacturing
User Storage
and
consumption
Carton
Recycling
Box
printing/forming
Ink
23
Breakfast LCA


Calculate the LCA of an individual serving of breakfast
Given:
◦ LCIs for each component
 Milk, oat flakes, water, and boiling water (for oatmeal)
Component
Amount
Milk
0.300 L (1 glass of milk)
Oat Flakes
0.040kg
Water
0.237 L
Energy for Boiling Water
0.237 L of water boiled
Amounts needed
for one bowl
of oatmeal
24
Breakfast LCI’s
LCIs of each breakfast component
Raw Materials Used, kg
Water Used, kg
Total Emissions, kg
Air, kg
Water, kg
Soil, kg
CO2, kg
CED, MJ
Energy for
Boiling Water,
1 L boiled
Milk, 1 kg Oat Flakes, 1 kg Water, 1 L
1.03E+00
1.51E+00
1.04E-03
3.85E-01
5.68E+01
8.43E+01
1.09E+00
1.60E+00
3.29E-01
4.80E-01
2.41E-04
1.16E-01
2.97E-01
4.73E-01
2.41E-04
1.16E-01
3.16E-02
6.06E-03
3.26E-07
1.01E-04
3.35E-05
4.52E-05
1.01E-08
4.66E-06
2.68E-01
4.64E-01
2.40E-04
1.16E-01
3.90E+00
1.49E+00
3.26E-03
1.54E-00
r
 ( LCI
i
e
i
 Ri ) 
 ( LCI
i
w
i
 Ei ) 
W
i
 LCA
i
Energy and waste are already included in these
LCIs so they do not need to be added to the LCA
 The milk LCI can be traced back to the beginning
of a farm

25
Calculating the LCA
r
 ( LCI
e
i
 Ri ) 
i





i
 Ei ) 
i
Raw Materials

 ( LCI
w
W
i
 LCA
i
Process Energy
Disposal
R = Amount of Raw Material used in manufacture of the
chosen basis of product
E = Energy used to produce the chosen basis of product
W = Waste emissions associated with producing the chosen
basis of product
r = number of raw materials
e = different type of energy used
w = number of waste streams that are sent to waste treatment
26
Breakfast LCA
0.300 L
Milk
Raw Materials Used, kg
Water Used, kg
Total Emissions, kg
Air, kg
Water, kg
Soil, kg
CO2, kg
CED, MJ
0.040 kg
0.237 L
Oat Flakes Water
Energy for
boiling
0.237 L
Water
Total
3.16E-01
1.74E+01
1.01E-01
9.12E-02
9.68E-03
1.03E-05
6.02E-02
3.37E+00
1.92E-02
1.89E-02
2.42E-04
1.81E-06
2.46E-04
2.59E-01
5.71E-05
5.70E-05
7.73E-08
2.41E-09
9.13E-02
3.79E-01
2.75E-02
2.75E-02
2.40E-05
1.10E-06
4.68E-01
2.14E+01
1.48E-01
1.38E-01
9.95E-03
1.32E-05
8.20E-02
1.20E+00
1.86E-02
5.94E-02
5.69E-05
7.72E-04
2.74E-02
3.65E-01
1.28E-01
1.62E+00
27
Breakfast LCA
0.148 kg total
emissions
Water, 5.71E-05
Boiling Water,
2.75E-02
Oat Flakes,
1.92E-02
Milk, 1.01E-01
Total Emissions contributed to breakfast by
each ingredient
28
Questions?
29
Using SimaPro® 7.2 multiuser
SESSION 2
30
Overview
What is SimaPro®
 How to use the program

◦ Generating an LCI
◦ Modeling your own process

Some specific components of SimaPro®
are explained along the way
31
SimaPro®
 SimaPro®
is a detailed
environmental analysis tool
◦ Used for a product or process
 Products and processes are called processes in this program
◦ Quantification of the raw material, energy use, and
emissions to the air, water, and soil
◦ Characterization of environmental impacts
◦ The databases contain many common products and
processes, but not everything
 Products and processes not already in the databases need to be evaluated
differently as discussed later

A free trial of the Software is available at
http://www.pre.nl/content/download-simapro-7
32
What SimaPro® Contains

Databases
◦ Inventory of the data in SimaPro®
 Substances, “processes”, units, conversion factors,
environmental impact categories, projects, libraries

Projects (what you will be working on)
◦ The data used in a specific project

Library
◦ Data available for use in all projects

General data
◦ Data such as substances and units
33
Starting SimaPro®
For use in Rowan Hall
Start->All Programs->SimaPro 7.2
Multiuser->SimaPro 7.2 Multiuser
34
This is the opening screen of SimaPro
 Click
to proceed

35


You will then be presented with this screen where you
can select the server that you will use
For the first time, there will be no servers
◦ You will need to add the server(s) you wish to use.
36
1.
Click
2.
In the new window
that appears click
3.
In this window enter
the server name
◦
4.
Our server is
“specter”
Click
37
5.
Click
6.
Make sure that
“Professional”
is highlighted as
shown to the
left
◦
7.
This is the most
current version
Click
38
8.
Wait for the database to
finish loading
9.
Select a user
◦
Select Expert, user ##, or
Manager whenever possible




Expert can view and edit all
expert, practioner, and visitor
projects
Manager and user## can view
and edit all projects in the
database
Practioner can only open
projects on that level and
default tutorials, but can create
projects
Visitor can only open default
tutorials and cannot create
projects
The Password is the
username
10.
◦
Ex. The password for Expert
is “expert”
39
11.
◦
12.
The Project selection window will appear
From here you can select an existing project or
create your own
To open and existing project click
To create a new project click
40
13.
When creating a
new project this
screen will display
◦
Enter the name of
your project

14.
Use a concise and
descriptive name like
“Slater LCA Tutorial”
Click
41
The top bar
•
The
far left
bar
•
•
This is a screen similar to what you
should see after following the previous
steps
This is the main screen of SimaPro® (the
LCA explorer screen) where you are able
to do everything SimaPro® is capable of
Note that this is the processes tab of the
LCA explorer
42

Project Management
◦ Create a new project
◦ Open an existing project
◦ Close the current project
Save the current item being edited
 Print the current item
 Cut the selection
 Copy the selection
 Paste the selection
 Find an item within SimaPro®

43

Editing tools
◦ Inserts a new line for input
◦ Deletes the currently selected input line
 Used when creating a process in SimaPro®

Expression tools
◦ In SimaPro® the user can input mathematical
expressions instead of numbers
 Displays the expressions entered and their results
 Updates all expressions (This is automatically done
by default)
44

Analysis Shortcut tools
◦ The analysis options are discussed in detail
later
 Performs a network analysis
 Performs a impact assessment analysis
 Compares the selected processes using an impact
analysis

SimaPro® tools
◦ Shows the LCA explorer window
◦ This button allows you to view the data from
all of the projects
 This button is only available for the “manager” and
“user##” users because they can view all processes
 It does not allow you to edit processes from other
projects, only view and analyze them
45


The far left bar provides links to
use for navigating the program
Wizards
◦ This provides some pre-loaded
tutorials and an LCA-wizard that
you can use when creating a new
LCA model

Goal and Scope
◦ “Description” allows you to define
and view a description of the
current project
◦ “Libraries” displays the list of
libraries and allows you to select
which libraries are used in the
project
46

Inventory
◦ “Processes” is the window that was
shown earlier where you can navigate
through the processes available in your
project
◦ “Product stages” allows you to define
what processes are included in the
different stages of your process
(assembly, life cycle, disposal,
disassembly, and reuse)
◦ “Waste types” displays a list of the
different types of waste management
available in SimaPro®
 These are labels that tell SimaPro® how to
treat the waste produced by a process
◦ “Parameters” allows the user to define
variables, both independent and
dependant, for use in the LCA model
 These can be used in expressions for process
inputs/outputs
47

Impact assessment
◦ “Methods” displays a list of the
available impact assessment
methods
 You can create your own methods
tailored to your requirements
◦ “Calculation setups” displays a
list of the available calculation
methods
 You can create a setup to display the
results that you choose in a specific
format so that all repeat calculations
are presented the same way
48

Interpretation
◦ “Interpretation” allows the user
to input an interpretation of the
data
◦ “Document Links” provides
links to the documentation that
corresponds to the selected
libraries
49

General Data
◦ “Literature references” displays
a list of the literature cited by the
libraries in use
◦ “Substances” displays a list of
the available substances
◦ “Units” displays a list of the
units used in SimaPro®
◦ “Quantities” displays the units
sorted by what physical quantities
they represent
◦ “Images” displays all of the
images used by the selected
libraries including images of
processes
50
The Libraries
Consist of critically reviewed data used by
researchers
 Contains the LCI data for products and
processes
 Our version of SimaPro® does not allow
users to edit these

51

Click on the Libraries tab

This is the Libraries tab of
SimaPro®

The checked boxes indicate
that the library is active and
its contents are available for
use

These are all of the libraries
available at Rowan

Now returning to the
processes tab
52
Here you can navigate through the processes
1. Find the type of process you want and click the
2. Continue to navigate through the subcategories by
clicking each sequential
3. Scroll though the list of processes to find the one that
you want
53
Alternatively you can view
all processes at once by
having this box checked
To find a process from here
you need to know what the
process is called
1. Sort the processes by
name by clicking here
2. Click any process name
3. Type the first few letters of
your desired process e.g.
“meth”
4. Scroll around to find your
specific process e.g.
Methanol, at plant/GLO U
5. You can similarly find the
processes from a specific
project
54
Viewing a Process
You can double click a process name, for
example, Methanol, at plant/GLO U, to
view all of the inputs for that process and
known outputs
 You can also view its attributes

o
Date of creation, who created it, comments from the
creator, inputs, outputs, and basis are the most useful
attributes
GLO indicates global production values
U indicates that this is a unit process
55
Double click here
56
Process information and the amount produced
The inputs from
nature
The inputs from the
technosphere
(manufacturing
processes and
resources)
The inputs from the
technosphere
(manufacturing heat
and electricity
Direct emissions to
the environment
57
From this input screen you can see that the methanol is produced
from natural gas and a catalyst of various metals
 There is also cooling water and deionized water
 There is an electricity input that indicates that some electrical
equipment is used in production
58

These are the emissions that are associated with only the process for
methanol production, not raw materials
 This particular process only has water and airborne emissions
 After generating the LCI, you will see the total life cycle emissions
including raw materials extraction and processing

59
The process name
Contact information
about the reference
source
The Comments
provide
information about
how the data was
generated and
assumptions that
were made
60
Country Codes

Most process names are followed by a
country code
◦ Methanol, at plant/GLO U

The following slides show what each
country code is
61
62
63
System (S) vs. Unit (U) Processes

Many processes have two versions
◦ E.g. Methanol, at plant/GLO U and Methanol, at
plant/GLO S



Both processes will give the same results
System processes use the LCI as the input
Unit processes use the products and
processes used to make the product as the
input
◦ E.g. the chemicals and raw materials used such as
natural gas and water
◦ Presents data in a more manageable and easy to
understand format
64
Generating an LCI

Processes in SimaPro®
◦ Find the process that you wish to use
◦ Right click and select analyze
 Shown on the next slide
◦ You could click analyze

in the top bar too.
Other processes
◦ Research (Kirk Othmer, journal articles, patents,
etc.)
◦ Gather data from the manufacturer
◦ Create your own process using these data
 Explained in session 3
65
1. Right click the
process name
to bring up the
context menu
2. Then select
“Analyze”
66
Double click here
to choose the
impact
assessment
method
This screen will appear after clicking “Analyze”
67

Select one of these
methods by double
clicking the name

Always use the same
method throughout the
project

Each method calculates
environmental impact
differently

IMPACT 2002+ is the
most current and accurate
◦ Use this if you are
unsure which to choose
◦ Includes nonrenewable energy
calculation
68
Impact Assessment
Evaluation of the magnitude and
significance of potential environmental
impacts
 This is not standardized

◦ No absolute scale for impact assessment has
been defined
◦ Use the same method for all impact
assessments performed for your project
69
Impact Categories
Impact 2002+
•Non-carcinogens
•Aquatic
ecotoxicity
•Terrestrial
ecotoxicity
•Terrestrial acid
•Aquatic
acidification
•Aquatic
eutrophication
•Non-renewable
energy
Both
•Carcinogens
•Land Use/Occupation
•Minerals
•Ozone Layer
•Radiation
•Respiratory Organics /
Inorganics
Ecoindicator 99
•Fossil Fuels
•Climate Change
•Ecotoxocity
•Acidification /
Eutrophication
70
Eco-indicator and Impact 2002+

Eco-Indicator

Impact 2002+

Displays long term
effects

Displays immediate
effects
71
Typical Units for Impact Assessment
Immediate effect on environment (Midpoint)
Climate Change (sometimes
calculated as a long term effect)
Kg CO2
Each greenhouse gas is equated to kg of CO2
Ozone Depletion
Kg CFC-11
Each chemical is equated to kg of CFC-11
Human Toxicity
Kg 1,4-DB (1,4 dichlorobenzene)
Ecotoxicity
Kg 1,4-DB (1,4 dichlorobenzene)
The damage of each chemical equated to kg 1,4-DB
regardless of how it is contacted with
Acidification
Kg SO2
Each acidifying chemical is equated to kg of SO2
Eutrophication
Kg N
Each chemical is equated to kg of N
Respiratory Inorganics
Kg PM10
The damage associated with particles where D>10 µm
Ionizing Radiation
Bq C-14
All radioactive energy is equated to BQ for a C-14
nucleus
Nonrenewable energy
MJ Primary
Nonrenewable energy is measured in the MJ of primary
energy extracted by a process
Long term effect on environment (Endpoint)
Human Health
DALYs
Disability Adjusted Life Years, the total years of healthy
life lost
Ecosystem Quality
PDF•m2•years
Potentially Disappeared Fractions of a square meter
over a year
PAF•m2•years
Potentially Affected Fractions of a square meter over a
year
MJ Primary
MJ of energy
MJ Surplus
MJ of energy required to mine/refine harder to
reach/lower quality ores
Resources
72
Now Click Calculate to
analyze the
environmental impact
73
1.
2.
This loading
bar will pop up
Then you will
see a chart
similar to this
74
This bar allows you to navigate the
different data analysis options
This shows a
network
analysis
You are
here
This is where
you will find
the LCI data
We are
going here
next
These are the different
categories of
75
environmental impact
This shows all of the
impact categories on
one bar to show the
relative magnitude of
each one. Notice The
most impact is on nonrenewable energy, and
the smallest impact is
on aquatic acidification
and eutrophication
You can also show the
long term impact
categories by unchecking the “Per
impact category” box
The global warming
band starts at 30 µPt
and ends at 97.6 µPt so
the impact is 67.6 µPt.
76
This shows all of the
long term impact
categories on one bar
to show the relative
magnitude of each one.
Notice how resources
are impacted the most
by methanol
77
Data Analysis Options

SimaPro provides a few options for
presenting the results
◦
◦
◦
◦


Network
Impact Assessment (the bar charts you just saw)
Inventory
Process Contributions
Each option is useful for a specific purpose
To navigate between them, use the tabs at the
top of the screen
View this next
78
Network Analysis Screen
79
Network

Shows the inputs for the process and gives a
visual representation of each input’s
contribution to the overall impact of the process
◦ Useful for evaluating a process to reduce its
environmental impact

You can change what the network analysis
shows by selecting different options from the
menus shown below
Represented Quantity Units

You can also choose to show either the
cumulative contribution of all feeding processes
to the total impact or the percentage
contribution by clicking one of these two
buttons. By deselecting both, you will see the
contribution by only that process
80
Network – Choosing the Impact
You can choose to
Shown
show an inventory
1.
item or any of the
impact categories by
choosing from this
drop down list
(we’ll show an
inventory item)
2.
Double click here
3.
Find your desired
impact by
navigating through
the categories on the
left then the impacts
on the right
◦
4.
Alphabetically
listed
Double click your
desired impact
81
Network – Choosing cut off levels

You can choose to show more or less
processes by cutting off processes that
contribute less than a certain percentage

Use the arrows or type in your desired cut
off percentage here
82
System Processes



The system process will
display aggregate
results in one box
There is no way to tell
where in the production
of methanol most of the
emissions are coming
from
The bottom box is a
legend for all boxes
shown in a network
analysis
The diagram display the impact
on global warming in kg CO2 -eq
Quantity produced/consumed
Process/Product name
Quantity of current
inventory/impact
83
1 kg
Methanol, at plant/GLO U
0.669
Unit Processes
The Overall environmental impact
is the same as it was in the system
process
 This shows the flow of the process
and how each part of the process
contributes to the overall impact

16.4 MJ
Natural gas, high pressure, at
Consumer /RER U
0.141
0.45 m3
Natural gas, at long-distance
Pipeline /RER U
0.129
0.154 m3
Natural gas, production RU, at
long-distance pipeline/RER U
7.7 MJ
Natural gas, burned in
Industrial furnace low-NOx
>100kW /RER U
0.517
The diagram
displays the
impact on
global
warming in kg
CO2 -eq
◦ The arrows’ direction indicates the
flow direction

Notice that the top two boxes do not
add to the amount in the top box.
◦ This diagram has a cut off of 10%, so
many of the processes are not included
which account for the remainder
0.0851
84
1 kg
Methanol, at plant/GLO U
0.669
16.4 MJ
Natural gas, high pressure, at
Consumer /RER U
0.141
0.45 m3
Natural gas, at long-distance
Pipeline /RER U
0.129
0.154 m3
Natural gas, production RU, at
long-distance pipeline/RER U
0.0851
Unit Processes – Process Stages
7.7 MJ
Natural gas, burned in
Industrial furnace low-NOx
>100kW /RER U
Stage 1: These products and processes are
directly used to form the product or process
being analyzed
0.517
The diagram
displays the
impact on
global
warming in kg
CO2 -eq
Stage 2: These products and processes are
directly used to form the products or
processes in stage 1
Stage 3: These products and processes are
directly used to form the products or
processes in stage 3
Stage 4: etc…
85
1 kg
Methanol, at plant/GLO U
Unit Processes – None Selected
0.669
16.4 MJ
Natural gas, high pressure, at
Consumer /RER U
Change
0.45 m3
Natural gas, at long-distance
Pipeline /RER U
Change
7.7 MJ
Natural gas, burned in
Industrial furnace low-NOx
>100kW /RER U
Each of the boxes displays the impact of only
the process or product that is represented in
the box
Change
The diagram
displays the
impact on
global
warming in kg
CO2 -eq
0.154 m3
Natural gas, production RU, at
long-distance pipeline/RER U
Change
86
1 kg
Methanol, at plant/GLO U
0.669
16.4 MJ
Natural gas, high pressure, at
Consumer /RER U
0.141
0.45 m3
Natural gas, at long-distance
Pipeline /RER U
0.129
Unit Processes – Summation
Selected
7.7 MJ
Natural gas, burned in
Industrial furnace low-NOx
>100kW /RER U
Each of the boxes displays the cumulative
impact of all of its contributing processes.
0.517
The diagram
displays the
impact on
global
warming in kg
CO2 -eq
0.154 m3
Natural gas, production RU, at
long-distance pipeline/RER U
0.0851
87
1 kg
Methanol, at plant/GLO U
100%
16.4 MJ
Natural gas, high pressure, at
Consumer /RER U
Change
0.45 m3
Natural gas, at long-distance
Pipeline /RER U
Change
Unit Processes – Percentage
Selected
7.7 MJ
Natural gas, burned in
Industrial furnace low-NOx
>100kW /RER U
Each of the boxes displays the cumulative
impact of all of its contributing processes as a
percentage of the total for the overall process
Change
The diagram
displays the
impact on
global
warming in kg
CO2 -eq
0.154 m3
Natural gas, production RU, at
long-distance pipeline/RER U
Change
88
1 kg
Methanol, at plant/GLO U
0.669
Unit Processes – product flow
Notice how natural gas
from box “B” flows to box
“C” and box “A”
 To see this in more detail,
right click on the box and
select “Display flow of …”

16.4 MJ
Natural gas, high pressure, at
Consumer /RER U
0.141
7.7 MJ
Natural gas, burned in
Industrial furnace low-NOx
>100kW /RER U
0.517
The diagram
displays the
impact on
global
warming in kg
CO2 -eq
89
1 kg
Methanol, at plant/GLO U
Unit Processes – product flow
16.4

16.4 MJ
Natural gas, high pressure, at
Consumer /RER U
16.4
7.7 MJ
Natural gas, burned in
Industrial furnace low-NOx
>100kW /RER U
7.72
The diagram
displays MJ of
Natural gas, high
pressure, at
consumer /RER U

Now you see the flow of “Natural
gas, high pressure, at consumer
/RER U” in the whole process
This shows that 16.4 MJ of this
natural gas is used overall in the
methanol process
◦ 7.72 MJ of this natural gas are
burned in a low-NOx industrial
furnace >100kW

This analysis can be performed
on any part of the process you are
viewing to see the flow of that
component
90
Impact Assessment

The graph shows the
relative impact for
each component
◦ Useful for
determining the
main contributors to
each impact
category
The table will show
the absolute impact
for each component
 To generate the table
click the show table
button

◦ This gives you
absolute values for
each category
91
Inventory



This is the
comprehensive list
of the
environmental
impact that this
process has a.k.a.
the LCI
From this screen
you can create
charts from the data
This can also be
exported to Excel
for easier handling
◦ Make sure that the
default units box is
checked first
92
Charts from the inventory
1.
2.
3.
4.
Click on the “Indicator”
box here
Select Characterization
◦ This allows you to
view the data in the
impact categories
without any weighting
◦ Any choice other than
inventory can display
charts
Click on the “Category”
box
Choose your desired
impact category e.g.
“Global warming”
93
Charts from the inventory
5.
6.
7.
8.
Now the Chart button will be available
Click the chart button
You can choose “skip unused” to remove all
components that have “0” contributions
You can also choose to exclude long-term
environmental effects
94
•
•
•
•
•
This screen will appear after clicking the chart button
This is a bar chart showing how each of the components in
the LCI contribute to global warming
o
Very few are visible because many of them contribute
negligibly to global warming
The first thing you should do to make this more readable is
adjust the cut-off
Increase it until you feel the chart is readable and
informative (0.1% for this example)
You could also select “skip unused” as shown before
95
•
•
Now you can see multiple bars
and read the chart
You can add labels to each bar
by entering the chart options by
clicking here
96
97
•
•
Now you can see the values for
each bar
You can also view a pie chart by
clicking the “show pie chart”
button
98
•
•
•
This is the
resulting pie
chart
Each chart can
be exported as
an image or
copied as an
image. Both
options give an
un-editable
image.
Now go
back to
the
inventory
by
selecting
inventory
in this
bar
99
Process Contributions
This represents the
network data in a
tabular form
 You can view the
amounts used or
the contributions
to an impact
category

100
Process Contributions
You can select what
is shown using the
drop down menu,
we’ll show global
warming
1. Select
“Characterization”
2. Select “Global
warming”

101
Process Contributions
From here you can
see the total
contribution of the
process
 You can also see the
contribution of each
individual process
used
 You can also view
this as a chart

102
Click here to view this
as a pie chart.
103
104
Exporting the LCI to Excel
Click file at the top left then
select export
 This will present you with
options for how to export the
inventory
 You can choose from:

◦ Excel file
◦ Text file
105
Exporting the LCI to Excel
This screen will appear
Find the folder that you
wish to save the excel file
in
 Give it a descriptive name
 Save the file as type “Excel
files (*.XLS)”
 With an Excel file, you
could use your own
template to organize the
data, or you could use
Excel to create charts and
tables from the data


106
Making sense of it all
Now you can open your Excel file (shown
on the next slide)
 You will also want to open the LCA
manufacture template

◦ At Rowan University, this is found in the
following location:
 \\150.250.64.127\public\Pfizer\SimaPro Tutorial
◦ This Excel file will take the file that SimaPro®
created and put it into an easier to understand
format
107
This is the file that you just
created
 You can see that there is a
large amount of data in this
file

◦ 659 substances are recorded
here
108
This is the manufacture template
 Many of these cells contain functions designed
to organize the data in your file and gather it
together in an easy to understand table as
shown in the following slides

109

For the template to work, your
data must be in a specific format
◦ The default units must have been
used as stated before
◦ The total amounts need to be in
column “E”
 This is typically the case, but make sure it
is
 If there is only one substance, you won’t
need to worry about this
 For multi-substance processes there is a
total column and a column for each
component of the process
 Make sure that the total column is in column
“E” of the spreadsheet
110

In the SimaPro® generated
Excel file
1. Select columns “A” – “E”
2. Copy these columns

In the template
3. Select cell “A1”
4. Click paste
5. Scroll to “Y12” to see the
output
111
6. Navigate to cell
“Z34”


This cell requires an
input from SimaPro®
It is used to calculate
the CED for the
process
7. Return to SimaPro
8. Find the
nonrenewable
energy required in
SimaPro®
112
6. Click the impact
assessment tab
7. Click the
characterisation
button
8. Find the Nonrenewable energy
9. Enter the nonrenewable energy
value from
SimaPro®
113
The Resulting Table
Notes about the table
Template Output
Raw Materials Used
Water Used
Units
0.834 kg
554 kg
Emissions
Air
Water
Soil
0.654
0.647
0.00639
0.000127
CO2
CO
0.640 kg
0.000433 kg
CH4
SO2
0.00423
0.000917
0.000320
0.000120
0.000636
VOCs
1.72E-07 kg
NOX
NMVOC
Particulate
CED
Comments
kg
kg
kg
kg
Total emissions i.e. Air + water + soil
Total Air Emissions. Values from SimaPro® in m3 are converted to kg.
Total Water Emissions. Values from SimaPro® in m3 are converted to kg.
Total Soil Emissions
kg
kg
kg
kg
Individual values of specific air pollutants
kg
39.4 MJ
A contributor to the water emissions
The cumulative energy demand from nonrenewable and renewable energy
sources.
114
Comparing Processes

You can select two or more processes to
compare
1. Select one process as done before
2. Find a second process to compare
3. Hold the ctrl key on your keyboard while
selecting the second process
4. Repeat for as many processes as you please
5. Now select compare from the right click menu
as shown in the next slide

Methanol at plant and Methanol from
synthetic gas at plant will be compared for
this example
115
Select
compare
 This gives
you many
options that
are useful for
comparing
multiple
products or
processes

116
Making the Comparison


You will now see this screen (similar to the single process comparison)
Choose an assessment method the same way as before
◦ It is preferential to select an eco-indicator method because these methods
provide the most options for comparisons (choose E if you’re unsure)
117
This bar is negative because the synthetic gas
manufacturing route uses CO2 as a raw material,
so it actually helps to reverse climate change
118
Comparing

In the previous chart you saw percentages
on the y-axis
◦ The process with the highest impact in a
particular category is set as the 100%
reference value
You can only view the impact assessments
and the inventory as comparisons
 The normalized impact assessment also
allows you to view a triangle chart

119
1.
2.
3.
Click the “normalisation” tab
Make sure the boxes are both
unchecked and “never” is
selected in the “skip
categories” box
Click the
button
120



This triangle shows the three
long term environmental
impacts from the eco-indicator
assessment methods
Each side of the triangle is one
impact on a scale of 0-100%
Each point in the triangle
represents a weighting scheme
◦ How much you decide to
weight the total environmental
impact based on these three
impacts e.g. 20% human
health, 20% resources, and
60% ecosystem quality

The legend at the top explains
what the colors mean
121
Questions?
122
Modeling a Process in SimaPro
SESSION 3
123
Overview

How to create a process
◦ Explained through a pharmaceutical example

What you could do with this information
124
Pharmaceuticals
Many organic chemicals and solvents are
used in the production of APIs (Active
Pharmaceutical Ingredients)
 Not all of them are in SimaPro®

◦ The solvent does not exist
◦ The entries in SimaPro® are manufactured
using a different method or energy source

These solvents need to be modeled
accurately before they can be used in an
LCA
125
Aspirin
◦ The API in Aspirin is acetylsalicylic acid
◦ This is used as an NSAID pain reliever and
fever reducer
◦ Below are the chemicals used to produce 1 kg
Chemical/solvent
SimaPro name
Amount, kg
Acetic anhydride
Acetic anhydride, at plant/RER U
8.51
Toluene
Toluene, liquid, at plant/RER U
6.67
Salicylic acid
Unavailable
7.68
◦ Below are the wastes produced
Chemical/solvent
Amount, kg
Acetic anhydride
2.83
Acetic acid
3.33
Kamlet, J. (1956). Process for the manufacture of acetylsalicylic acid. Patent No. 2731492. US.
126
Utilities and emissions

The energy requirement is unknown so
estimate by adding an organic chemicals
plant.
◦ The plant is based on an average of two plants
with a total production of 50,000 tonnes
annually and a lifetime of 50 years.
 4.0E-10 p plants required to produce 1 kg of an
organic compound
p is a unit that means a piece or a part of
something
127
Creating a Project
1.
2.
3.
After you login to
SimaPro® you will see
the projects window
Click the new button
Give your project an
easily identifiable name
(e.g. Rowan Pharma
Tutorial/your initials)
then click “OK”
128
Creating a Project
4.
5.
Ensure that all
of the libraries
are marked as
active in your
project.
Now you can go
to the processes
window by
clicking here
and get started
129
Creating a Process

You can either model an existing process or create a new one by
clicking “new” to make one from scratch or “copy” to make a
process based on an existing one

When creating a new process, name it accordingly
◦ The name should be easily identified as the product or process you are
modeling

Add all of the known inputs
◦ You can add processes from SimaPro® for substances and energy
130
You can name the process by double clicking the
Name box and typing the name i.e Aspirin
 The next slides will demonstrate how to add inputs

◦ You can add compounds, chemical plants, and energy
required for your product or process
◦ You can also add known emissions from the
manufacturing process
131
Let’s Make Aspirin!
Name the process by double clicking the
“Name box” and typing “Aspirin”
Enter “1” in the “Amount box”
1.
2.
◦
◦
You can change the units and quantity by
double clicking their respective boxes and
selecting an option from the drop down
menu
For this case we are modeling 1 kg, so the
unit is “kg” and the quantity is “Mass”
132
Adding Ingredients
To add a process first double click the
appropriate input box
1.
◦
◦
◦
Inputs from technosphere are the materials that
you need for your process/product or fuels
required
You can also add known emissions if your
manufacturing process generates emissions
We will be adding inputs from the technosphere
133
Which Ingredients to Use?
Here you
can
navigate
the
categories
Here you can navigate the
processes
 Once you find yours
double click its name

•
We will use Acetic anhydride, at plant/RER because it is a general process for acetic
anhydride production
•
If you have more details about where the raw materials come from, you can view the
details of each option and choose the one that matches you specifications best
134
Deciding which process to use
1.
2.
To view the details
of a process/product
click “View”
The next slide shows
the resulting screen
135
After reading the process description you can see that
this “process” is modeled after a generic production
mix of acetic anhydride in Europe.
 Without any details for our acetic anhydride, a
generic production would be the best model for us to
choose

136
Adding the Other Ingredients
Add the other ingredients in the same
manner
 You can also add any energy requirements
and emissions in the same way

◦ What emissions and energy should we add
ourselves? Doesn’t SimaPro® calculate this for
us?
137
Energy and Emissions

SimaPro® is used to calculate the
emissions and energy, but you need to add
some of these yourself as well
Measured/calculated from process
Calculated by SimaPro
Emissions
Raw materials
gathering and
manufacturing
Energy
Raw materials
used
Emissions, By-products,
Waste
Product
manufacturing
process
Energy
138
Energy and Emissions

The emissions you enter into you
product/process outputs are only from the
manufacturing process
◦ Example: If the manufacturing process generates
2 kg of SO2 gas. You should add this to the
emissions from your product/process

The energy you enter as an input is only the
energy required to perform the
manufacturing process
◦ Example: If your pumps require a total of 15 MJ
of energy during the production of 1 kg of your
product. Include this in the inputs for your
product/process
139
Salicylic Acid
Notice that salicylic acid is one of the
chemicals used in this process
 Salicylic acid does not exist in SimaPro®
yet
 We will make a new salicylic acid process
based on stoichiometric calculations and
some simple assumptions

◦ This is a rough estimate
◦ Patents and literature searches are better
sources of information
140
Salicylic Acid
Phenol
(ph)


A Sodium Phenolate
(Sph)
Salicylic Acid
(Sa)
This is known as the Kolbe–Schmitt reaction
For our purposes, we will assume the
following:
◦ Each step has a 95% yield
◦ All unused products and reactants are used
somewhere else in the plant
◦ Use a general organic chemical plant for energy
141
Stoichiometric Calculations
1 kmol Sa
1 kg Sa 
= 0.00724 kmol Sa
138.12 kg Sa
0.00724 kmol Sa 
1 kmol Sph
1 kmol Sa
0.00762 kmol Sph 
1 kmol H 2 SO
4

98.079 kg H 2 SO
1 kmol CO
1 kmol H 2 SO
2

1 kmol NaOH
1 kmol Sph
0.00762 kmol Sph 
1 kmol ph
1 kmol Sph

1 kmol react.
0.95 kmol prod.
1 kmol CO

4
= 0.747 kg H 2 SO
4
4
40.01 kg CO
1 kmol Sph
0.00762 kmol Sph 
= 0.00762 kmol Sph
0.95 kmol prod.
1 kmol Sph
0.00762 kmol Sph 
1 kmol react.

2
= 0.353 kg CO
2
2
40 kg NaOH
= 0.321 kg NaOH
1 kmol NaOH

94.11 kg ph
= 0.755 kg ph
1 kmol ph
4.0E-10 p Chemical Plant to account for
energy and utilities
142
Adding Inputs

Create a new process and name it “Salicylic acid”
◦ Make the process a 1 kg basis
Add the inputs in the same manner as previously
shown
 Some of the units may not be the same as your
data
 Remember that by “double clicking” the units you
can select a new one from the drop down menu

143
Inputs
144
Notes for Creating Processes
Be sure to get information from credible
sources
 Make as few assumptions as possible

◦ Do research to make good assumptions.
 E.g. what type of electricity is likely to be used or
plant specifications

State your assumptions for future
reference by you or others
145
Completing the inputs for Aspirin

Now that the salicylic acid process has
been created, add the remaining inputs
summarized below
Chemical/solvent/plant
SimaPro name
Amount, kg
Process Inputs
Acetic anhydride
Acetic anhydride, at plant/RER U
8.51
Toluene
Toluene, liquid, at plant/RER U
6.67
Salicylic acid
Salicylic acid
7.68
Chemical Plant
Chemical plant, organics/RER/I S
4.0E-10
Useful By-products
Acetic anhydride
Acetic anhydride, at plant/RER U
2.83
Acetic acid
Acetic acid, 98% in H2O, at
plant/RER S
3.33
146
Useful By-Products?


You may have noticed the Allocation input in
the processes you have viewed and created
Some processes have multiple products.
◦ Desalination produces purified water and salt

This needs to be considered when modeling
such a process. You can do one of two
things:
◦ Avoid allocation
◦ Divide impacts over the products

Use the same method for the entire project
147
Avoid Allocation

You can avoid allocation by expanding the system
boundaries
◦ Generate an inventory for the other products that are
produced
 The inventory should be for a process where your by-product
is the desired product
◦ Subtract those inventories from the overall inventory
of the process being modeled
Sea water
Purified
water
Purified
water
148
Allocation

Determine the percent of the raw material
allocated to each product by one of two methods
◦ The physical quantities produced
 For the sea water use mass fractions
◦ The socio-economic percentages of each product
 For the sea water use the revenue generated from the given
mass of each product, or the market share of each product
Sea water
example
Product
Mass
Allocation
Income
Allocation*
Water
%96.5
%87.1
Salt
%3.5
%12.9
* Based on market prices for sea salt and bottled water in a
supermarket
149
Our case
For our case, we will avoid allocation for
the acetic acid and acetic anhydride
 This is used based on the assumption that
the two by-products will be sent
somewhere else in the plant to be used by
or sent to another plant so no waste
treatment has to be considered and we can
credit these to our process

150

Here is where you add the useful byproducts
151
Outputs - Impact Assessment
These are negative because they are credited to our process
152
Outputs - Impact Assessment Table
153
Let’s Recycle
The acetic anhydride can be recycled
 The acetic acid can react with ketene to
form acetic anhydride
 After recycling, the mixture needs to be
charged with more salicylic acid
 The output of acetylsalicylic acid is
greatly increased

Kamlet, J. (1956). Process for the manufacture of acetylsalicylic acid. Patent No. 2731492. US.
154
Ketene



H2C=C=O
Ketene is not available in the database
For our reaction there is a special case
ketene + acetic acid -> acetic anhydride
There is an acetic anhydride “process” we can modify
◦ Acetic anhydride from ketene, at plant/RER U

Find this “process” then copy it
◦ Click “Copy”
155
156
We can use this process, but we have to
make one change
 We already have acetic acid so we can just
remove that from the inputs in this
“process”

157
1.
2.
3.
4.
Select Acetic acid
from the inputs
Right Click
Select Delete Line
Rename the “Process”
◦ Acetic anhydride from
aspirin recycle
158
Aspirin Process with Recycle Inputs



The inputs for this process are different than
last time
The aspirin yield compared to the previous
process is nearly 10 times as much
Create a new process and name it “Aspirin
with recycle”
Chemical/solvent/plant
SimaPro name
Amount, kg
Process Inputs
Acetic anhydride
Acetic anhydride, at plant/RER U
0.861
Toluene
Toluene, liquid, at plant/RER U
0.674
Salicylic acid
Salicylic acid
1.552
Chemical Plant
Chemical plant, organics/RER/I S
4.0E-10
Acetic anhydride
Acetic anhydride from aspirin
recycle
0.574
Kamlet, J. (1956). Process for the manufacture of acetylsalicylic acid. Patent No. 2731492. US.
159
Outputs - Impact Assessment
160
Outputs - Impact Assessment Table
161
Impact Assessment Comparison
162
Impact Assessment Table
Comparison
163
Inventory comparison
Without Recovery
Amount Saved
With Recovery Through Recovery
Percent
Reduction
Raw Materials Used, kg
4.71E+01
9.43E+00
3.76E+01
80%
Water Used, kg
1.11E+05
2.58E+04
8.53E+04
77%
Total Emissions, kg
4.97E+01
1.03E+01
3.94E+01
79%
Total Air Emissions, kg
2.35E+00
5.58E-01
1.79E+00
76%
Total Water Emissions kg
1.36E-02
3.77E-03
9.87E-03
72%
Total Soil Emissions kg
4.89E+01
1.01E+01
3.88E+01
79%
CO2, kg
8.03E-02
1.85E-02
6.17E-02
77%
CO, kg
2.62E-01
4.86E-02
2.13E-01
81%
CH4, kg
8.34E-02
1.70E-02
6.65E-02
80%
NOX, kg
1.20E-01
2.66E-02
9.33E-02
78%
NMVOC, kg
3.18E-02
6.98E-03
2.48E-02
78%
Particulate, kg
1.82E-01
3.77E-02
1.45E-01
79%
SO2, kg
4.76E-05
1.37E-05
3.39E-05
71%
VOCs, kg
1.59E+03
3.03E+02
1.28E+03
81%
CED, MJ
4.71E+01
9.43E+00
3.76E+01
80%
164
Remarks
The solvent recovery resulted in a
considerable decrease in all emissions
 If you have accurate data you can model a
process in SimaPro and also model
variations based on your own calculations
of solvent recovery or energy usage

165
Any Last Questions?
166