Download Thermodynamic Equilibrium Ontology (TEO)

Thermodynamic Equilibrium
Ontology (TEO)
JOHN BEVERLEY
Thermodynamics Equilibrium Ontology: Scope
 Thermodynamics is the study of energy transfer
within and through a system.
 Divided into:
 Classical Thermodynamics – macroscopic behavior
 Statistical Thermodynamics – microscopic behavior
 Focus here on classical thermodynamics systems.
Specifically: Thermodynamic Equilibrium with the
goal of implementation into existing BFO related
chemical ontologies as extension or complement.
Thermodynamic Systems
 A Thermodynamic System is simply a quantity of
matter or region of space
chosen for study.

The region outside the system is the
Surroundings

The system is demarcated from the
Surroundings by a System Boundary
Major Classes
 Thermodynamic System: An object of arbitrary space
currently under inspection
 Thermodynamic Property: A quality inhering in
thermodynamic system that does not solely determine the
global properties of the system
 Thermodynamic System Disposition: A Thermodynamic
System has the disposition to reach equilibrium when
combined Thermodynamic Properties are held constant.
 Thermodynamic Reaction: Process dependent on
thermodynamic system leading to an increase or decrease in
the energy of the system
Further Down the Rabbit Hole
 Thermodynamic
Property subclasses:
Extensive Property
Intensive Property
 Each has Data Property
relating Thermodynamic
System and value range,
i.e. real, integer
Thermodynamic System
 Composed
of subclasses:
Isolated,
Closed, Open
 Defined in terms of
Data Properties. For instance,
Closed Systems have
associated Free Energy
values, but not Mass values
Thermodynamic System Disposition
 Equilibrium is defined as a System disposition which
obtains under various conditions.
 Example: Thermal Equilibrium is a state in which
Temperature is spatially and temporally uniform.
Thermodynamic Reactions
 Inhere in Thermodynamic Systems and take values
associated with Extensive and Intensive Properties.
 Example:
Thermal Reaction
has Gibbs
Free Energy value:
positiveInteger or
negativeInteger
True Path Test
Gibbs Free Energy is type of
Free Energy is an
Extensive Property is a
Thermodynamic
Property is a
Thermodynamic System
Quality is a quality,
is a, etc.
Existing Ontology: Dumontier
 Dumontier Labs has developed several BFO Chemistry
and Physics related ontologies with the purpose of
understanding how systems respond to chemical agents.
 Include various chemical and physical reactions but lack
specification of underlying thermodynamic system.
 Rather than include equilibrium, Dumontier includes
Data Property: ‘Begins’ ‘Ends’ to indicate temporal entity
beginning and end respectively.
Comparison with Dumontier
 The Thermodynamic Equilibrium Ontology includes
Thermodynamic System specification
 Various equilibria (chemical, mechanical, and
thermal) mark beginning and ending of reactions in
Thermodynamic Systems
 Dumontier’s design includes isolated classes, unused
relations, multiple inheritance with Periodic Groups,
and outdated element names
Long Way to Go
 The Thermodynamic Equilibrium Ontology focuses
on an data-inundated area of scientific inquiry.
 Thermodynamic Properties for various molecules are
often studied under static conditions and data
recorded for various combinations.
 Chemical, Mechanical, and Thermal Equilibria are
the foundation for organizing this research from an
ontological view.
Future Prospects
 Including a process to determined Phase States
within Systems given specified variables
(Temperature, Pressure, Volume, etc.) for specific
molecular systems
 Including a process to determine chemical
equilibrium rates for various molecular
combinations within a System given specified
variables
Q and A
Any Questions?