Absolute Entropy and Energy of Carbon Dioxide Using the Two-Phase Thermodynamic Model

The two-phase thermodynamic (2PT) model is used to determine the absolute entropy and energy of carbon dioxide over a wide range of conditions from molecular dynamics trajectories. The 2PT method determines the thermodynamic properties by applying the proper statistical mechanical partition function to the normal modes of a fluid. The vibrational density of state (DoS), obtained from the Fourier transform of the velocity autocorrelation function, converges quickly, allowing the free energy, entropy, and other thermodynamic properties to be determined from short 20-ps MD trajectories. The anharmonic effects in the vibrations are accounted for by the broadening of the normal modes into bands from sampling the velocities over the trajectory. The low frequency diffusive modes, which lead to finite DoS at zero frequency, are accounted for by considering the DoS as a superposition of gas-phase and solid-phase components (two phases). The analytical decomposition of the DoS allows for an evaluation of properties contributed by different types of molecular motions. We show that this 2PT analysis leads to accurate predictions of entropy and energy of CO2 over a wide range of conditions (from the triple point to the critical point of both the vapor and the liquid phases along the saturation line). This allows the equation of state of CO2 to be determined, which is limited only by the accuracy of the force field. We also validated that the 2PT entropy agrees with that determined from thermodynamic integration, but 2PT requires only a fraction of the time. A complication for CO2 is that its equilibrium configuration is linear, which would have only two rotational modes, but during the dynamics it is never exactly linear, so that there is a third mode from rotational about the axis. In this work, we show how to treat such linear molecules in the 2PT framework.

Surface chemical characterisation of Paenibacillus polymyxa before and after adaptation to sulfide minerals

A heterotroph Paenibacillus polymyxa bacteria is adapted to pyrite, chalcopyrite, galena and sphalerite minerals by repeated subculturing the bacteria in the presence of the mineral until their growth characteristics became similar to the growth in the absence of mineral. The unadapted and adapted bacterial surface have been chemically characterised by zeta-potential, contact angle, adherence to hydrocarbons and FT-IR spectroscopic studies. The surface free energies of bacteria have been calculated by following the equation of state and surface tension component approaches. The aim of the present paper is to understand the changes in surface chemical properties of bacteria during adaptation to sulfide minerals and the projected consequences in bioflotation and bioflocculation processes. The mineral-adapted cells became more hydrophilic as compared to unadapted cells. There are no significant changes in the surface charge of bacteria before and after adaptation, and all the bacteria exhibit an iso-electric point below pH 2.5. The contact angles are observed to be more reliable for hydrophobicity assessment than the adherence to hydrocarbons. The Lifschitz–van der Waals/acid–base approach to calculate surface free energy is found to be relevant for mineral–bacteria interactions. The diffuse reflectance FT-IR absorbance bands for all the bacteria are the same illustrating similar surface chemical composition. However, the intensity of the bands for unadapted and adapted cells is significantly varied and this is due to different amounts of bacterial secretions underlying different growth conditions.

Temperature profiles of accretion discs around rapidly rotating strange stars in general relativity: A comparison with neutron stars

We compute the temperature profiles of accretion discs around rapidly rotating strange stars, using constant gravitational mass equilibrium sequences of these objects, considering the full effect of general relativity. Beyond a certain critical value of stellar angular momentum (J), we observe the radius ( $r_{\rm orb}$) of the innermost stable circular orbit (ISCO) to increase with J (a property seen neither in rotating black holes nor in rotating neutron stars). The reason for this is traced to the crucial dependence of ${\rm d}r_{\rm orb}/{\rm d}J$ on the rate of change of the radial gradient of the Keplerian angular velocity at $r_{\rm orb}$ with respect to J. The structure parameters and temperature profiles obtained are compared with those of neutron stars, as an attempt to provide signatures for distinguishing between the two. We show that when the full gamut of strange star equation of state models, with varying degrees of stiffness are considered, there exists a substantial overlap in properties of both neutron stars and strange stars. However, applying accretion disc model constraints to rule out stiff strange star equation of state models, we notice that neutron stars and strange stars exclusively occupy certain parameter spaces. This result implies the possibility of distinguishing these objects from each other by sensitive observations through future X-ray detectors.

Critical properties of the double-exchange ferromagnet Nd(0.6)Pb(0.4)MnO(3)

Results of a study of dc magnetization M(T,H), performed on a Nd(0.6)Pb(0.4)MnO(3) single crystal in the temperature range around T(C) (Curie temperature) which embraces the supposed critical region \epsilon\=\T-T(C)\/T(C)less than or equal to0.05 are reported. The magnetic data analyzed in the critical region using the Kouvel-Fisher method give the values for the T(C)=156.47+/-0.06 K and the critical exponents beta=0.374+/-0.006 (from the temperature dependence of magnetization) and gamma=1.329+/-0.003 (from the temperature dependence of initial susceptibility). The critical isotherm M(T(C),H) gives delta=4.54+/-0.10. Thus the scaling law gamma+beta=deltabeta is fulfilled. The critical exponents obey the single scaling equation of state M(H,epsilon)=epsilon(beta)f(+/-)(H/epsilon(beta+gamma)), where f(+) for T>T(C) and f(-) for Tof three-dimensional Heisenberg ferromagnets with short-range interactions.

Possible conversion of a neutron star to a quark star in the presence of high magnetic field

Recent results and data suggest that high magnetic fields in neutron stars (NS) strongly affect the characteristics (radius, mass) of the star. Such stars are even separated into a class known as magnetars, for which the surface magnetic field is greater than 10(14) G. In this work we discuss the effect of such a high magnetic field on the phase transition of a NS to a quark star (QS). We study the effect of magnetic field on the transition from NS to QS including the magnetic-field effect in the equation of state (EoS). The inclusion of the magnetic field increases the range of baryon number densities for which the flow velocities of the matter in the respective phase are finite. The magnetic field helps in initiation of the conversion process. The velocity of the conversion front, however, decreases due to the presence of the magnetic field, as the presence of the magnetic field reduces the effective pressure (P). The magnetic field of the star is decreased by the conversion process, and the resultant QS has lower magnetic field than the initial NS.

Modeling the solubilities of fatty acids in supercritical carbon dioxide

A thermodynamic model was developed for modeling the solubilities of fatty acids in supercritical carbon dioxide. The model combines the Peng-Robinson equation of state (EOS) with the two parameter van der Waal's mixing rules. The model is applied to predict the solubilities of various fatty acids. The two adjustable interaction parameters in the model are found to vary linearly with the chain length of the fatty acids. Thus this model can be used to predict the solubilities of various fatty acids in supercritical carbon dioxide. (C) 2003 Elsevier Science B.V. All rights reserved.

Ferromagnetic transition and specific heat of Pr(0.6)Sr(0.4)MnO(3)

The critical properties of orthorhombic Pr(0.6)Sr(0.4)MnO(3) single crystals were investigated by a series of static magnetization measurements along the three different crystallographic axes as well as by specific heat measurements. A careful range-of-fitting-analysis of the magnetization and susceptibility data obtained from the modified Arrott plots shows that Pr(0.6)Sr(0.4)MnO(3) has a very narrow critical regime. Nevertheless, the system belongs to the three-dimensional (3D) Heisenberg universality class with short-range exchange. The critical exponents obey Widom scaling and are in excellent agreement with the single scaling equation of state M(H,epsilon) = vertical bar epsilon vertical bar(beta) f(+/-)(H/vertical bar epsilon vertical bar((beta+gamma)); with f(+) for T > T(c) and f(-) for T < T(c). A detailed analysis of the specific heat that account for all relevant contributions allows us to extract and analyze the contribution related to the magnetic phase transition. The specific heat indicates the presence of a linear electronic term at low temperatures and a prominent contribution from crystal field excitations of Pr. A comparison with data from literature for PrMnO(3) shows that a Pr-Mn magnetic exchange is responsible for a sizable shift in the lowest lying excitation.

Thermodynamics of ideal gas in doubly special relativity

We study thermodynamics of an ideal gas in doubly special relativity. A new type of special functions (which we call ``incomplete modified Bessel functions'') emerge. We obtain a series solution for the partition function and derive thermodynamic quantities. We observe that doubly special relativity thermodynamics is nonperturbative in the special relativity and massless limits. A stiffer equation of state is found.

Implications of a viscosity bound on black hole accretion

Motivated by the viscosity bound in gauge/gravity duality, we consider the ratio of shear viscosity (eta) to entropy density (s) in black hole accretion flows. We use both an ideal gas equation of state and the QCD equation of state obtained from lattice for the fluid accreting onto a Kerr black hole. The QCD equation of state is considered since the temperature of accreting matter is expected to approach 10(12) K in certain hot flows. We find that in both the cases eta/s is small only for primordial black holes and several orders of magnitude larger than any known fluid for stellar and supermassive black holes. We show that a lower bound on the mass of primordial black holes leads to a lower bound on eta/s and vice versa. Finally we speculate that the Shakura-Sunyaev viscosity parameter should decrease with increasing density and/or temperatures. (C) 2012 Elsevier B.V. All rights reserved.

Mass of highly magnetized white dwarfs exceeding the Chandrasekhar limit: An analytical view

In recent years a number of white dwarfs have been observed with very high surface magnetic fields. We can expect that the magnetic field in the core of these stars would be much higher (similar to 10(14) G). In this paper, we analytically study the effect of high magnetic field on relativistic cold electron, and hence its effect on the stability and the mass-radius relation of a magnetic white dwarf. In strong magnetic fields, the equation of state of the Fermi gas is modified and Landau quantization comes into play. For relatively very high magnetic fields (with respect to the average energy density of matter) the number of Landau levels is restricted to one or two. We analyze the equation of states for magnetized electron degenerate gas analytically and attempt to understand the conditions in which transitions from the zeroth Landau level to first Landau level occurs. We also find the effect of the strong magnetic field on the star collapsing to a white dwarf, and the mass-radius relation of the resulting star. We obtain an interesting theoretical result that it is possible to have white dwarfs with mass more than the mass set by Chandrasekhar limit.

Strongly magnetized cold degenerate electron gas: Mass-radius relation of the magnetized white dwarf

We consider a relativistic, degenerate electron gas at zero temperature under the influence of a strong, uniform, static magnetic field, neglecting any form of interactions. Since the density of states for the electrons changes due to the presence of the magnetic field (which gives rise to Landau quantization), the corresponding equation of state also gets modified. In order to investigate the effect of very strong magnetic field, we focus only on systems in which a maximum of either one, two, or three Landau level(s) is/are occupied. This is important since, if a very large number of Landau levels are filled, it implies a very low magnetic field strength which yields back Chandrasekhar's celebrated nonmagnetic results. The maximum number of occupied Landau levels is fixed by the correct choice of two parameters, namely, the magnetic field strength and the maximum Fermi energy of the system. We study the equations of state of these one-level, two-level, and three-level systems and compare them by taking three different maximum Fermi energies. We also find the effect of the strong magnetic field on the mass-radius relation of the underlying star composed of the gas stated above. We obtain an exciting result that it is possible to have an electron-degenerate static star, namely, magnetized white dwarfs, with a mass significantly greater than the Chandrasekhar limit in the range 2.3-2.6M(circle dot), provided it has an appropriate magnetic field strength and central density. In fact, recent observations of peculiar type Ia supernovae-SN 2006gz, SN 2007if, SN 2009dc, SN 2003fg-seem to suggest super-Chandrasekhar-mass white dwarfs with masses up to 2.4-2.8M(circle dot) as their most likely progenitors. Interestingly, our results seem to lie within these observational limits.

High-pressure synchrotron x-ray diffraction study of RMnO3 (R=Eu, Gd, Tb and Dy) upto 50 GPa

We have carried out synchrotron based high-pressure x-ray diffraction study of orthorhombic EuMnO3, GdMnO3, TbMnO3 and DyMnO3 up to 54.4, 41.6, 47.0 and 50.2 GPa, respectively. The diffraction peaks of all the four manganites shift monotonically to higher diffraction angles and the crystals retain the orthorhombic structure till the highest pressure. We have fitted the observed volume versus pressure data with the Birch-Murnaghan equation of state and determined the bulk modulus to be 185 +/- 6 GPa, 190 +/- 16 GPa, 188 +/- 9 GPa and 192 +/- 8 GPa for EuMnO3, GdMnO3, TbMnO3 and DyMnO3, respectively. The bulk modulus of EuMnO3 is comparable to other manganites, in contrast to theoretical predictions.

Reconstructing the properties of dark energy using standard sirens

Future space-based gravity wave (GW) experiments such as the Big Bang Observatory (BBO), with their excellent projected, one sigma angular resolution, will measure the luminosity distance to a large number of GW sources to high precision, and the redshift of the single galaxies in the narrow solid angles towards the sources will provide the redshifts of the gravity wave sources. One sigma BBO beams contain the actual source in only 68% of the cases; the beams that do not contain the source may contain a spurious single galaxy, leading to misidentification. To increase the probability of the source falling within the beam, larger beams have to be considered, decreasing the chances of finding single galaxies in the beams. Saini et al. T.D. Saini, S.K. Sethi, and V. Sahni, Phys. Rev. D 81, 103009 (2010)] argued, largely analytically, that identifying even a small number of GW source galaxies furnishes a rough distance-redshift relation, which could be used to further resolve sources that have multiple objects in the angular beam. In this work we further develop this idea by introducing a self-calibrating iterative scheme which works in conjunction with Monte Carlo simulations to determine the luminosity distance to GW sources with progressively greater accuracy. This iterative scheme allows one to determine the equation of state of dark energy to within an accuracy of a few percent for a gravity wave experiment possessing a beam width an order of magnitude larger than BBO (and therefore having a far poorer angular resolution). This is achieved with no prior information about the nature of dark energy from other data sets such as type Ia supernovae, baryon acoustic oscillations, cosmic microwave background, etc. DOI:10.1103/PhysRevD.87.083001

Local stability of a gravitating filament: a dispersion relation

Filamentary structures are ubiquitous in astrophysics and are observed at various scales. On a cosmological scale, matter is usually distributed along filaments, and filaments are also typical features of the interstellar medium. Within a cosmic filament, matter can contract and form galaxies, whereas an interstellar gas filament can clump into a series of bead-like structures that can then turn into stars. To investigate the growth of such instabilities, we derive a local dispersion relation for an idealized self-gravitating filament and study some of its properties. Our idealized picture consists of an infinite self-gravitating and rotating cylinder with pressure and density related by a polytropic equation of state. We assume no specific density distribution, treat matter as a fluid, and use hydrodynamics to derive the linearized equations that govern the local perturbations. We obtain a dispersion relation for axisymmetric perturbations and study its properties in the (kR, kz) phase space, where kR and kz are the radial and longitudinal wavenumbers, respectively. While the boundary between the stable and unstable regimes is symmetrical in kR and kz and analogous to the Jeans criterion, the most unstable mode displays an asymmetry that could constrain the shape of the structures that form within the filament. Here the results are applied to a fiducial interstellar filament, but could be extended for other astrophysical systems, such as cosmological filaments and tidal tails.

Simulations of impinging droplets with surfactant-dependent dynamic contact angle

An arbitrary Lagrangian-Eulerian (ALE) finite element scheme for computations of soluble surfactant droplet impingement on a horizontal surface is presented. The numerical scheme solves the time-dependent Navier-Stokes equations for the fluid flow, scalar convection-diffusion equation for the surfactant transport in the bulk phase, and simultaneously, surface evolution equations for the surfactants on the free surface and on the liquid-solid interface. The effects of surfactants on the flow dynamics are included into the model through the surface tension and surfactant-dependent dynamic contact angle. In particular, the dynamic contact angle (theta(d)) of the droplet is defined as a function of the surfactant concentration at the contact line and the equilibrium contact angle (theta(0)(e)) of the clean surface using the nonlinear equation of state for surface tension. Further, the surface forces are included into the model as surface divergence of the surface stress tensor that allows to incorporate the Marangoni effects without calculating the surface gradient of the surfactant concentration on the free surface. In addition to a mesh convergence study and validation of the numerical results with experiments, the effects of adsorption and desorption surfactant coefficients on the flow dynamics in wetting, partially wetting and non-wetting droplets are studied in detail. It is observed that the effects of surfactants are more in wetting droplets than in the non-wetting droplets. Further, the presence of surfactants at the contact line reduces the equilibrium contact angle further when theta(0)(e) is less than 90 degrees, and increases it further when theta(0)(e) is greater than 90 degrees. Nevertheless, the presence of surfactants has no effect on the contact angle when theta(0)(e) = 90 degrees. The numerical study clearly demonstrates that the surfactant-dependent contact angle has to be considered, in addition to the Marangoni effect, in order to study the flow dynamics and the equilibrium states of surfactant droplet impingement accurately. The proposed numerical scheme guarantees the conservation of fluid mass and of the surfactant mass accurately. (C) 2015 Elsevier Inc. All rights reserved.