Warning: You are not logged in. Your IP address will be publicly visible if you make any edits. If you
log in or
create an account, your edits will be attributed to your username, along with other benefits.
The edit can be undone.
Please check the comparison below to verify that this is what you want to do, and then publish the changes below to finish undoing the edit.
Latest revision |
Your text |
Line 1: |
Line 1: |
| '''Idealised models''' usually consist of a simple [[Intermolecular pair potential|intermolecular pair potential]], whose purpose is often to study underlying physical phenomena, such as generalised [[phase diagrams]] and the study of [[phase transitions]]. It is entirely possible that a number of the models bear little or no resemblance to real molecular fluids.
| | *[[Hard rods]] |
| *[[Idealised models| List of idealised models]] | | *[[Hard sphere]] |
| '''Realistic models''' are usually variants of idealised models, parametrised to study a specific atomic or molecular system with a certain degree of realism. These models are usually designed to reproduce a subset of experimental physical properties, thus a certain model may be more suitable to a particular study, whist being wholly inadequate in the study of a distinct question.
| | *[[Hard ellipsoids]] |
| *[[Realistic models | List of realistic models]] | | *[[Hard hexagons]] |
| '''Force fields''' consist of (hopefully) transferable parameters for molecular sub-units. They are designed to be applicable to a variety of molecular systems, over a range of thermodynamic conditions.
| | *[[Hard spherocylinders]] |
| *[[Force fields | List of force-fields]] | | *[[Hard core Yukawa]] |
| ==Interesting reading==
| | *[[Lattice Models]] |
| *[http://dx.doi.org/10.1126/science.157.3787.375 B. Widom "Intermolecular Forces and the Nature of the Liquid State: Liquids reflect in their bulk properties the attractions and repulsions of their constituent molecules", Science '''157''' pp. 375-382 (1967)] | | *[[Square well]] |
| [[category:Computer simulation techniques]] | | *[[Square shoulder]] |
| | *[[Square shoulder + square well]] |
| | *[[Ramp]] |
| | *[[Gaussian overlap]] |
| | *[[Gay-Berne]] |
| | *[[Lennard-Jones]] |
| | *[[Intermolecular Interactions]] |
| | *[[Flexible Molecules|Flexible Molecules (Intramolecular Interactions)]] |
| | *[[Polyamorphic systems]] |
| | *[[Confined systems]] |