The term RTlnγi accounts for the non-ideality of the solution (also referred to as the partial molar energy). However, temperature and species mole fractions have significant effects on the activity coefficient of each species in a solution.
Thermodynamics of the solutions containing dissolved solids
But we already know that γs is a function of solution temperature and the mole fraction of the species. Therefore, one can fix all the thermodynamic properties of a solution if the mole fraction of the species and the solution temperature are known.
Classification of the thermodynamic models for solutions
The main application of the UNIFAC model is in systems showing non-electrolytic and non-ideal behavior. The UNIFAC method identifies the molecule in terms of its functional groups, while the NRTL-SAC model divides the entire surface of the molecule into four segments.
Ideal solution mixtures: VLE phase behavior
If the total pressure is known, Equation (29) must be solved for the temperature that determines the vapor pressure of each of the species in the mixture. In this case Equation (29) is isolated for the Ptot to find the total pressure of the system:.
Ideal solution mixtures: SLE phase behavior
A part that includes the contribution of the chemical structure and the size of a compound (combinatorial part). In Equation (39), Γk is the residual activity coefficient of subgroup k in the mixture and Γk i is that value in a pure solution of the component i.
Nonrandom two-liquid segment activity coefficient (NRTL-SAC)
After setting the values of segments for solvents and initial guess values for the solute segments, the written code for NRTL-SAC begins to solve for the mole fractions at saturation for all species in the solution. It is worth noting that the main difference in Figures 3 and 4 is the use of parameter estimation method to calculate the NRTL-SAC parameters, while the calculation for the UNIFAC model is straightforward.
Application of solution thermodynamics in industry
VLE study of two binary azeotropic systems
On the other hand, the relative deviation for the saturation temperature is higher when using the NRTL-SAC model. The results of the prediction using the NRTL-SAC and UNIFAC models with the experimental values of Chen et al.
VLE study of a ternary system
The UNIFAC model could not match the experimental data as well as the NRTL-SAC model. Finally, for the bubble temperature, Fig. 7 shows the full predictions of the NRTL-SAC model compared to the UNIFAC model.
Isobar vapor-liquid-liquid equilibrium and vapor-liquid equilibrium for the quaternary system water-ethanol-cyclohexane. Experimental determination of quaternary and ternary isobaric vapor-liquid-liquid equilibria and vapor-liquid equilibria for the systems water-ethanol-hexane-toluene and water-hexane-toluene at 101.3 kPa.
Dynamics of Droplets
- Volume of fluid method
- Power-law model
- Computational method
- Results and discussion
- Validation of the Solution
- Results for non-newtonian droplets
Threshold radii for the droplets at different impact velocities are obtained and compared with those exhibited by Lorenceau et al. For all kinds of liquids, the threshold radius of the drop has an inverse relationship with the impact speed of the drop.
Nonequilibrium Thermodynamic and Quantum Model of a Damped Oscillator
Nonequilibrium thermodynamic theory of the linearly damped oscillator
- Bohlin’s first integral
By means of canonical quantization, the quantum mechanical equations of the linearly damped oscillator are given. An observable O(q, p,t) is the first integral of the (Onsagerian equation (Equation (21))) of the damped oscillator if.
Quantum theory of linearly damped oscillator
- The general evolution equation of the Hermitian operator
- The Heisenberg equation of motion of the linearly damped oscillator
- Ehrenfest theorem of a linearly damped oscillator
2 pq of the Bohlinian adds the term βq(t) in the first equation and the term -βq(t) in the second equation in equation (41). 2pq of the Bohlinian adds the term βq(t) in the first equation and the term -βq(t) in the second equation in equation (41).
Evaluation of the equations of the quantum linearly damped oscillator
As a consequence of equation (48), equation (47), the quantum mechanical equations for the oscillator, could be written in the form From equation (49), the expectation values for the time rate of change of displacement and momentum can be estimated as.
- Expected values of the main operators of a linearly damped oscillator
- Probability description of the wave packet motion of the damped oscillator
- Calculation of wave function by matrix calculus
- Spectrum of the energy dissipation of the linearly damped oscillator
According to these results, we obtain the expected value of the energy of the damped oscillator. We will see that the natural width of the spectral line can be related to the attenuation coefficient of the damped oscillator. It follows that the operator's expected value of energy dissipation is .
According to the Parseval theorem from the Fourier transform theory, this is an expression of energy dissipation.
Uncertainty relation of the linearly damped oscillator
The width of this frequency spectrum of a spontaneous emission of the atom is a direct consequence of the dissipative self-force on the atom due to the back-reaction of the emitted photon. This back-reaction of the emitted photon can be characterized by two physical quantities, namely the frequency shift ω0→ω and the half-value width Δω=β of the spectrum. 2 as the energy uncertainty ΔE for the emitted wave packet and the time constant for the emission process Δt=β−1 as the time uncertainty, we get an uncertainty relation.
The quantum mechanical interpretation of the width of the natural spectral line should be based on this relation, where the physical quantities ΔE and Δt=β−1 have a precise meaning.
Quantum statistics of the linearly damped oscillator
In the Schrödinger picture, the density operator is time dependent, but the observables of the oscillator are time independent. According to this requirement, we could give the actual form of the equation of motion for the density operator in the Schrödinger picture. Thus, we can assume that the occupation of states is not preserved in the temporal evolution of the ensemble.
It is clear that the actual choice of the angular frequency ωm in the Bohlinian is a convention.
Wave equation of the linearly damped oscillator
Thus, it is impossible to describe the evolution of the pure state of a damped oscillator in the Schrödinger figure. In our theory, it is assumed that the abstract wave equation of the linearly damped oscillator has the form. To construct a wave equation, we first rewrite this abstract wave equation in the eigenbasis |q of the position operator.
We chose the representation of the differential operator for time-dependent operators in the own base |q of the position operator in the form.
Linear Approximation of Efficiency for Similar Non- Endoreversible Cycles to the Carnot Cycle
Linear approximation of efficiency: endoreversible Curzon–Ahlborn cycle
- Known results and basic assumptions
- Nonlinear heat transfer law
This allows you to find the efficiency of a cycle as a function of the compression ratio, rC=Vmax/Vmin. The non-endoreversible Curzon and Ahlborn cycle can be analyzed by means of the so-called non-endoreversibility parameter IS, first defined in  and later in . We have shown some results in the case of Newton's law of heat transfer (Newton's law of cooling) and Dulong and Petit's law of heat transfer, respectively, the law of heat transfer as dQ/dt∝(ΔT)k, k=5/4.
When the time for all the processes of the Curzon and Ahlborn cycles is taken into account, efficiency in both regimes, maximum power output and maximum ecological function can be achieved by the process used.
The non-endoreversible Curzon and Ahlborn cycle
- Curzon and Ahlborn cycle with instantaneous adiabats
- Curzon–Ahlborn cycle with noninstantaneous adiabats
In order to include the compression ratio in the analysis of the Curzon and Ahlborn cycle, it is necessary to assume finite time for the adiabatic processes. Again, internal energy U depends only on the initial and final states, so the adiabatic expansion in the cycle can be written as. The integration of equation (62) leads to the time of the adiabatic expansion in the cycle.
Thus, a new expression for output power is found in the cycle using the changes of variables in Equation (54) and Equation (56), namely.
Stirling and Ericsson cycles
- Stirling cycle
- Ericsson cycle
With the same parameters defined in the previous section, ecological function can now be written as. The efficiency for the Stirling cycle at maximum ecological function can now be written as. The time for the isothermal processes can also be obtained from equation (77) and can be written as.
With the change of variables used in the previous section, the expression for the power output of the non-endoreversible Ericsson cycle is now .
The analysis for the case of ecological function is similar to the case of power delivery and also leads to similar results. Thus, since heating and cooling in isobaric processes are considered constant, the change of entropy can only be taken for the isothermal processes. As with the power supplied, there are two conditions for maximum ecological function, viz.
These conditions lead to obtaining the parameter u as in equation (87) and also ZEI=ZEI(ε,IS,λ) from.
An ecological optimization criterion for time-constrained heat en‐. Power and efficiency of heat engines. An entropy production approach to Curzon and Ahl‐. Minimizing entropy generation: the new thermodynamics of fi‐. nite-sized devices and finite-time processes. 1997). Ecological optimization of an irreversible heat Carnot en‐. Ecological efficiency of a time-limited heat engine.
Ecological optimization of generalized irreversible Carnot engines. gins including saving natural resources and reducing thermal pollution. Performance Analysis and Optimization of a Double Irreversible Cycle Based on an Ecological Performance Coefficient Criterion.
Thermal Hysteresis Due to the Structural Phase Transitions in Magnetization for Core-Surface
Basics of the theoretical model
- Definition of a nanoparticle with core/surface morphology
- Blume–Emery–Griffiths model
- Fundamental formulation of pair approximation in Kikuchi version
For the number of shells in both structures, each lattice is related to the radius (R) of the nanoparticle [27-29]. The εij parameters in Eq. 6) are called the binding energies for the spin pairs (i, j) and from Eq. The average magnetization (M) of the nanoparticle is the excess of one orientation over the other orientation, also called the dipole moment.
The average magnetization (M) of the nanoparticle is the excess of one orientation over the other orientation, also called the dipole moment.
Calculations and discussion
- Thermal hysteresis for hexagonal nanoparticles
- Thermal hysteresis for cubic nanoparticles
In this case, small positive values of single-ion anisotropy are needed for the generic property of the MTH loops shown in the previous figure. Our review draws out a number of important physical features for the MTH curves regarding the sign of the quadrupolar interactions (K0) and the values of the single-ion anisotropy (D0) within the NPs. Monte Carlo entropic sampling applied to spin junction solids: the square of the thermal hysteresis loop.
Spin state thermal hysteresis loop in nanoparticles of transition metal complexes: Monte Carlo simulations on the Ising model.
Information Thermodynamics and Halting Problem
Thermodynamics of Coral Diversity — Diversity Index of Coral Distributions in Amitori Bay, Iriomote Island, Japan
- Coral distribution investigation
- Oceanic and atmospheric observations
- River observation
- Wave simulation
- Soil grain simulation
- Focus of our study and representativeness for the normal state
Conditions of the coral surveys in Amitori Bay and an example of the photos of the quadrats are shown in Fig. Numerical simulations were performed to calculate wave heights and directions in Amitori Bay according to . Lagrangian particle tracking analysis was performed to obtain the transport properties of soil grains in Amitori Bay.
In this subsection, we highlight a few points that relate to the focus of our study and the representativeness of the normal state.
Relationship between coral distributions and environmental properties
- Distribution of coral life forms
- Relationship between coral distributions and wave heights
- Relationship between coral distributions and the number of soil grains
Wave heights at the mouth of the bay (Stations 4 and 26) were significantly higher than those in the inner bay (Station 17) and on the eastern side of the bay (Station 20). A comparison between seafloor soil grain counts (Fig. 8a) and tabular coral cover (Fig. 8b) showed that lower coral cover was associated with greater grain counts. However, the same comparison with branching corals (Fig. 8c) showed that coral cover was not related to grain number.
The types of coral life forms addressed in this study are shown in Fig. Figure 7. a) Spatial distribution of wave heights with a corresponding 95% probability of no overtopping calculated from the wave simulation described in section 2.4. b) Relationship between cover of tabular or branching corals and wave height.
Diversity index analysis
- Diversity index and its physical meaning
- Distribution of the diversity index and the IDH
- Relationship between diversity index and environmental properties
The mouth, intermediate and inner area of the bay are indicated in green, blue and red respectively. H' reached a maximum at an average soil grain number of approximately 900 at Stations 8 and 9 in the intermediate area of the bay. The mouth, the intermediate and inner area of the bay are indicated in green, blue and red respectively (after ).
The mouth, intermediate and inner areas of the bay are marked in green, blue and red, again.