Information Technology Solutions
Laboratory of Computational Sciences & Mathematical Physics
Institute for Mathematical Research (INSPEM)
DATE :
28 June 2012
(Thursday)
PUBLIC SEMINAR
PROF. DR. MAURACIO GIRARDI
Connection Between Minimum of Solubility &
Temperature of Maximum Density in a Simple Water Model
28 June 2012
Biodata
TIME :
3.00 pm - 4.00 pm
VENUE :
Al– Khawarizmi
Seminar Room,
Mathematics Building,
UPM
TARGET
PARTICIPANTS :
• Students
• Lecturers
• Researchers
PROF. DR. MAURACIO
GIRARDI
Universidade Federal de
Santa Catarina, Brazil
Mauracio Girardi is a physicist actively involved in
the field of Monte Carlo simulation techniques. Currently, he is actuating in four different lines: the first
one is the study of simple lattice models for water,
where the thermodynamics and dynamics anomalies of water are investigated. The second one is
evaluation of the effects of the water anomalies on
the micellar aggregation when a water-amphiphiles
solution is forced to cross specific regions of the
water phase diagram.
The third one is the study via Event Driven simulations of granular systems. Two main aspects of this
system are: The tribolelectric charging of particles
of different species, and effects of container geometry on the “first order like” phase separation of particles. The last topic is related to the applications of
Gradient Method in cyclic predator-prey models to
investigate their phase diagrams, & the formation of
defensive alliances.
ABSTRACT
FOR FURTHER
D E T AI L S P L E AS E
CONT ACT:
Mohd Rohaizat Abdul Wahab
Science Officer
Institute for Mathematical
Research
Universiti Putra Malaysia
43400 UPM SERDANG
SELANGOR.
Phone : +603 8946 6877
Fax : +603 8942 3789
E-mail :
[email protected]
Solubility is the capacity of a solute to form a homogeneous solution in a given
solvent which is determined by the balance of intermolecular forces between the
solvent and solute, and the entropy change that accompanies the solvation. Factors such as temperature and pressure will alter this balance, thus changing the
solubility. In the process of dissolving a solute, heat is required to break the intermolecular forces between the solute particles and heat is given off by forming
bonds between solute and solvent particles. Consequently, increasing the temperature can make it easier or harder to dissolve solute particles in a solvent.
Besides the unusual behavior of solubility, water also exhibits other thermodynamic and dynamic anomalies. Unlike other liquids, water does not contract upon
cooling and the specific volume at ambient pressure starts to increase when cooled
below T ≈ 4oC. Experimental data show that the diffusion constant D, increases on
compression at low temperatures, up to a maximum, Dmax(T) at a pressure P = PDmax
(T) while for normal liquids the diffusion coefficient decreases as the system is
compressed. Even though both experiments and simulations indicate that nonpolar gases exhibit an anomalous behavior in the solubility in the same region of
pressures and temperatures where other anomalies are present, a clear connection
between these thermodynamic and dynamic properties is still missing. Here, we
will present a simple model that aims to shade some light into this problem by computing the solubility of non-interacting particles in a lattice model for water.