Here, organic compounds can be selected from the available libraries and new compounds
created and their thermodynamic properties defined.
When compounds are selected, or created and saved, they are listed on this page
and included in the chemical systems treated by the models. The
properties of all the selected compounds can be viewed, or changed, by using the links provided.
Click on the button to go to the data entry page and define the physical and thermodynamic
properties of a new compound that will be used in this session.
This is the library of organic compounds available to you. It consists of the
public compounds provided by the site administrator, compounds in your private
library (if you are logged in), and the public compounds of other users (if
you have made entries in the last section on this page).
The library to which each compound belongs is noted in parentheses before the name
of the compound: "(public)" means it is from the adminstrator's public library,
and for all other libraries the 6 character code will be listed.
Choose as many compounds as you need for your calculations,
by selecting them from the drop-down box and pressing the
"Add to system" button. The properties of each compound can be viewed,
and modified if necessary, after selection.
2. Select compounds from the list below, and include them in the current
calculation by clicking the button (see note 1).
The organic compounds that have been selected, and which are listed above, are now
included in the chemical systems that can be modelled.
If you click on a link at the top of the page to go to one of the problem input pages
for Models I-IV you will find input boxes (and options buttons in some cases)
for each of the selected compounds. They are listed after the inorganic ions.
Options for gas and
solid phase forms of the organic compounds are also added if their thermodynamic properties have
been defined.
3. To carry out calculations using the selected organic compound(s), and/or inorganic
ions, click on a model link at the top of this page.
Use this link to either log in to the site and open your private library of
compounds for saving/retrieving definitions, or to register with us. You must
first register in order to enable this facility.
Users who are not registered or logged in only have access to the public
library of compounds provided by the site administrators (the contents of the
drop-down list in section 2), and the 'public' compounds of any other user's
library to which they have been given the access code.
• Log in to access your library of saved compounds, or
register and become a new user. Login and Registration
Entering the library code of a another user here will add to the drop-down selection box any of
their compounds that they have marked as public. You can use these compounds in your own
calculations. This facility is intended for group research projects, and for teaching.
You cannot change any of the properties of the compounds in the other
user's library (only the owner can do that), but you can alter them for use in your session, and also save
the compounds to your own library if you wish.
• Enter the library code of another user to make their public
compounds available in this session. Library code:
Notes
(1) To add amines evaluated in the work of Ge et al. (Atmos. Environ.45, 561-577, 2011)
to the list of available compounds enter the library code 729efd in the box above.