Abstract: Negative pressure phenomenon appears in many
thermodynamic, geophysical and biophysical processes in the Nature
and technological systems. For more than 100 years of the laboratory
researches beginning from F. M. Donny’s tests, the great values of
negative pressure have been achieved. But this phenomenon has not
been practically applied, being only a nice lab toy due to the special
demands for the purity and homogeneity of the liquids for its
appearance. The possibility of creation of direct wave of negative
pressure in real heterogeneous liquid systems was confirmed
experimentally under the certain kinetic and hydraulic conditions.
The negative pressure can be considered as the factor of both useful
and destroying energies. The new approach to generation of the
negative pressure waves in impure, unclean fluids has allowed the
creation of principally new energy saving technologies and
installations to increase the effectiveness and efficiency of different
production processes. It was proved that the negative pressure is one
of the main factors causing hard troubles in some technological and
natural processes. Received results emphasize the necessity to take
into account the role of the negative pressure as an energy factor in
evaluation of many transient thermohydrodynamic processes in the
Nature and production systems.
Abstract: Owing to the stringent environmental legislations,
CO2 capture and sequestration is one of the viable solutions to reduce
the CO2 emissions from various sources. In this context, Ionic liquids
(ILs) are being investigated as suitable absorption media for CO2
capture. Due to their non-evaporative, non-toxic, and non-corrosive
nature, these ILs have the potential to replace the existing solvents
like aqueous amine solutions for CO2 separation technologies. Thus,
the present work aims at studying the important aspects such as the
interactions of CO2 molecule with different anions (F-, Br-, Cl-, NO3
-,
BF4
-, PF6
-, Tf2N-, and CF3SO3
-) that are commonly used in ILs
through molecular modeling. In this, the minimum energy structures
have been obtained using Ab initio based calculations at MP2
(Moller-Plesset perturbation) level. Results revealed various degrees
of distortion of CO2 molecule (from its linearity) with the anions
studied, most likely due to the Lewis acid-base interactions between
CO2 and anion. Furthermore, binding energies for the anion-CO2
complexes were also calculated. The implication of anion-CO2
interactions to the solubility of CO2 in ionic liquids is also discussed.