Abstract: Surface wettability is a crucial factor in oil recovery. In oil industry, the rock wettability involves the interplay between water, oil, and solid surface. Therefore, studying the interplay between adsorptions of water and hydrocarbon molecules on solid surface would be very informative for understanding rock wettability. Here we use the in-situ Nuclear Magnetic Resonance (NMR) gas isotherm technique to study competitive adsorptions of water and isopropanol, an intermediate step from hydrocarbons. This in-situ NMR technique obtains information on thermodynamic properties such as the isotherm, molecular dynamics via spin relaxation measurements, and adsorption kinetics such as how fast the system can reach thermal equilibrium after changes of vapor pressures. Using surfaces of silica glass beads, which can be modified from hydrophilic to hydrophobic, we obtained information on the influence of surface hydrophilicity on the state of surface water via obtained thermodynamic and dynamic properties.
Abstract: Seismic methods play an important role in the exploration for hydrocarbon reservoirs. However, the success of the method depends strongly on the reliability of the measured or predicted information regarding the velocity of sound in the media. Speed of sound has been used to study the thermodynamic properties of fluids. In this study, experimental data are reported and analyzed on the speed of sound in toluene and octane binary mixture. Three-factor three-level Box-Benhkam design is used to determine the significance of each factor, the synergetic effects of the factors, and the most significant factors on speed of sound. The developed mathematical model and statistical analysis provided a critical analysis of the simultaneous interactive effects of the independent variables indicating that the developed quadratic models were highly accurate and predictive.
Abstract: Experimental data of refractive index, excess molar volume and viscosity of binary mixture of morpholine with cumene over the whole composition range at 298.15 K, 303.15 K, 308.15 K and normal atmospheric pressure have been measured. The experimental data were used to compute the density, deviation in molar refraction, deviation in viscosity and excess Gibbs free energy of activation as a function of composition. The experimental viscosity data have been correlated with empirical equations like Grunberg- Nissan, Herric correlation and three body McAllister’s equation. The excess thermodynamic properties were fitted to Redlich-Kister polynomial equation. The variation of these properties with composition and temperature of the binary mixtures are discussed in terms of intermolecular interactions.
Abstract: Standard Gibbs energy of formation ΔGfor(298.15) of
lanthanide-iron double oxides of garnet-type crystal structure
R3Fe5O12 - RIG (R – are rare earth ions) from initial oxides are
evaluated. The calculation is based on the data of standard entropies
S298.15 and standard enthalpies ΔH298.15 of formation of compounds
which are involved in the process of garnets synthesis. Gibbs energy
of formation is presented as temperature function ΔGfor(T) for the
range 300-1600K. The necessary starting thermodynamic data were
obtained from calorimetric study of heat capacity – temperature
functions and by using the semi-empirical method for calculation of
ΔH298.15 of formation. Thermodynamic functions for standard
temperature – enthalpy, entropy and Gibbs energy - are
recommended as reference data for technological evaluations.
Through the structural series of rare earth-iron garnets the correlation
between thermodynamic properties and characteristics of lanthanide
ions are elucidated.
Abstract: Thermodynamic properties of liquids under negative pressures are interesting and important in fields of scienceand technology. Here, phase transitions of a thermotropic liquid crystal are investigatedin a range from positive to negative pressures with a metal Berthelot tube using a commercial pressure transducer.Two co-existinglines, namely crystal (Kr) –nematic (N), and isotropic liquid (I) - nematic (N) lines, weredrawn in a pressure - temperature plane. The I-N line was drawn to ca. -5 (MPa).
Abstract: α-Pinene is the main component of the most
turpentine oils. The hydration of α-pinene with acid catalysts leads to
a complex mixture of monoterpenes. In order to obtain more valuable
products, the α-pinene in the turpentine can be hydrated in dilute
mineral acid solutions to produce α-terpineol. The design of
separation processes requires information on phase equilibrium and
related thermodynamic properties. This paper reports the results of
study on liquid-liquid equilibrium (LLE) of system containing α-
pinene + water and α-terpineol + water.
Binary LLE for α-pinene + water system, and α-terpineol + water
systems were determined by experiment at 301K and atmospheric
pressure. The two component mixture was stirred for about 30min,
then the mixture was left for about 2h for complete phase separation.
The composition of both phases was analyzed by using a Gas
Chromatograph. The experimental data were correlated by
considering both NRTL and UNIQUAC activity coefficient models.
The LLE data for the system of α-pinene + water and α-terpineol +
water were correlated successfully by the NRTL model. The
experimental data were not satisfactorily fitted by the UNIQUAC
model. The NRTL model (α =0.3) correlates the LLE data for the
system of α-pinene + water at 301K with RMSD of 0.0404%. And
the NRTL model (α =0.61) at 301K with RMSD of 0.0058 %. The
NRTL model (α =0.3) correlates the LLE data for the system of α-
terpineol + water at 301K with RMSD of 0.1487% and the NRTL
model (α =0.6) at 301K with RMSD of 0.0032%, between the
experimental and calculated mole fractions.
Abstract: Thermal-driven refrigeration systems have attracted increasing research and development interest in recent years. These systems do not cause ozone depletion and can reduce demand on electricity. The main objective of this work is to perform theoretical analyses of a thermal-driven refrigeration system using a new sorbent-sorptive pair as the working pair. The active component of sorbent is sodium thiocyanate (NaSCN). Ammonia (NH3) is chosen as sorptive. Based on the thermodynamic properties of the working solution, a mathematical model is introduced to analyze the system characteristics and performance. The results are used to compare with other thermal-driven refrigeration systems. It is shown that the advantages provided by this system over other absorption units include lower generator and evaporator temperatures, a higher coefficient of performance (COP). The COP is about 10 percent higher than the ones for the NH3-H2O system working at the same conditions.
Abstract: In this paper, the effects of thermodynamic,
hydrodynamic and geometric of an air cooled condenser on COP of
vapor compression cycle are investigated for a fixed condenser facing
surface area. The system is utilized with a scroll compressor,
modeled based on thermodynamic and heat transfer equations
employing Matlab software. The working refrigerant is R134a whose
thermodynamic properties are called from Engineering Equation
Software. This simulation shows that vapor compression cycle can
be designed by different configurations and COPs, economical and
optimum working condition can be obtained via considering these
parameters.
Abstract: The Pulsed Compression Reactor promises to be a
compact, economical and energy efficient alternative to conventional
chemical reactors.
In this article, the production of synthesis gas using the Pulsed
Compression Reactor is investigated. This is done experimentally as
well as with simulations. The experiments are done by means of a
single shot reactor, which replicates a representative, single
reciprocation of the Pulsed Compression Reactor with great control
over the reactant composition, reactor temperature and pressure and
temperature history. Simulations are done with a relatively simple
method, which uses different models for the chemistry and
thermodynamic properties of the species in the reactor. Simulation
results show very good agreement with the experimental data, and
give great insight into the reaction processes that occur within the
cycle.
Abstract: Accurate and comprehensive thermodynamic properties of pure and mixture of refrigerants are in demand by both producers and users of these materials. Information about thermodynamic properties is important initially to qualify potential candidates for working fluids in refrigeration machinery. From practical point of view, Refrigerants and refrigerant mixtures are widely used as working fluids in many industrial applications, such as refrigerators, heat pumps, and power plants The present work is devoted to evaluating seven cubic equations of state (EOS) in predicting gas and liquid phase volumetric properties of nine ozone-safe refrigerants both in super and sub-critical regions. The evaluations, in sub-critical region, show that TWU and PR EOS are capable of predicting PVT properties of refrigerants R32 within 2%, R22, R134a, R152a and R143a within 1% and R123, R124, R125, TWU and PR EOS's, from literature data are 0.5% for R22, R32, R152a, R143a, and R125, 1% for R123, R134a, and R141b, and 2% for R124. Moreover, SRK EOS predicts PVT properties of R22, R125, and R123 to within aforementioned errors. The remaining EOS's predicts volumetric properties of this class of fluids with higher errors than those above mentioned which are at most 8%.In general, the results are in favor of the preference of TWU and PR EOS over other remaining EOS's in predicting densities of all mentioned refrigerants in both super and sub critical regions. Typically, this refrigerant is known to offer advantages such as ozone depleting potential equal to zero, Global warming potential equal to 140, and no toxic.
Abstract: A self-association model has been used to understand
the concentration dependence of free energy of mixing (GM), heat of
mixing (HM), entropy of mixing (SM), activity (a) and microscopic
structures, such as concentration fluctuation in long wavelength limit
(Scc(0)) and Warren-Cowley short range order parameter ( 1
α )for Cu-
Tl molten alloys at 1573K. A comparative study of surface tension of
the alloys in the liquid state at that temperature has also been carried
out theoretically as function of composition in the light of Butler-s
model, Prasad-s model and quasi-chemical approach. Most of the
computed thermodynamic properties have been found in agreement
with the experimental values. The analysis reveals that the Cu-Tl
molten alloys at 1573K represent a segregating system at all
concentrations with moderate interaction. Surface tensions computed
from different approaches have been found to be comparable to each
other showing increment with the composition of copper.