Sharif Digital Repository

A colorimeter equipped with a gas booster in conjunction with a PVT cell was used to measure the heat capacity of natural gas with different amounts of impurities. Based on new experimental and literature data, a general investigation of the isobaric specific heat capacity was carried out using the Jarrahian-Heidaryan equation of state (J-H-EOS). A model was obtained that is valid in wide ranges of pressures (0.1-40. MPa) and temperatures (250-414. K). The arithmetic average of the model's absolute error is acceptable in engineering calculations and has superiority over other methods in its class  

Three dimensional calculations of electronic dynamics of CH4 in a strong laser field are presented with time-dependent density-functional theory. Time evolution of dipole moment and electron localization function is presented. The dependence of dissociation rate on the laser characters is shown and optimal effective parameters are evaluated. The optimum field leads to 76% dissociation probability for Gaussian envelope and 40 fs (FWHM) at 10 16 W cm-2. The dissociation probability is calculated by optimum convolution of dual short pulses. By combining of field assisted dissociation process and Ehrenfest molecular dynamics, time variation of bond length, velocity and orientation effect are... 

A general investigation of the thermal conductivity of natural gas as a function of temperature, pressure and composition was carried out to develop a generalized correlation. The model obtained was based on 731 data points of 42 binary mixtures in wide ranges of pressures (0.1-300MPa), temperatures (220-425K) and specific gravities (0.626-1.434). Correction terms for non-hydrocarbons of carbon dioxide and nitrogen were up to 87.8 and 82.8 of mole percent, respectively. The arithmetic average of the model's absolute error was found to be 5.69%, which is acceptable in engineering calculations  

Supply function equilibrium (SFE) is often used to describe the behavior of generating companies in electricity markets. However, comprehensive analytical description of supply function models is rarely available in the literature. In this paper, using some analytical calculations, a novel direct approach is proposed to compute the Nash equilibrium (NE) of the supply function model under uniform marginal pricing mechanism. An explicit mathematical proof for its existence and uniqueness is also presented. The proposed methodology is then generalized to accommodate practical market constraints. In addition, a new concept of robust NE is introduced and calculated based on this approach.... 

X-ray Powder Diffraction beamline is one of the first priorities of Iranian Light Source Facility day-onebeamlines. This beamline will cover the research requirements of scientific community in the fields of physics, material science, chemistry, etc and also have benefits for industries. This paper shortly reports the ray tracing calculations for the optical design of this beamline. The results show that bending magnet source would satisfy the nowadays users requirements, although insertion device should also be considered for covering the requirements of the future users. In this paper the effects of the optical elements on the users' requirements have been discussed to obtain the... 

Accurate value determination of natural gas viscosity plays a key role in its management as it is one of the most important parameters in natural gas engineering calculations. In this study, a comprehensive model is suggested for prediction of natural gas viscosity in a wide range of pressures, temperatures, densities and compositions. The new model can be applicable for gases containing heptane plus and non-hydrocarbon components. It is validated by the 2011 viscosity data from 18 different gas mixtures. Compared to existing similar models and correlations, its results are quite satisfactory  

Transition metal lithium orthosilicates are of interest as cathode materials for lithium batteries. Density functional theory (DFT) calculations were performed to evaluate the structural and electrochemical properties of the different polymorphs of Li2MnSiO4. Our computational studies predict superior properties for the Pmn21 polymorph even after extraction of two Li per formula unit. We state that the shortcomings observed for Li2MnSiO4 as a cathode are caused by two mechanisms. Switching of the magnetic state occurs during the first cycles. The subsequent transition, under delithiated conditions, from the Pmn21 or Pmnb polymorphs to the electrochemically weakest P21/n polymorph is the... 

In the present study the neutronic analysis of fuel assembly cluster of the HPLWR is discussed. Neutronic calculations are performed using WIMS-D4 and CITATION codes. Thermal-hydraulic code containing the properties and specifications of the fuel assembly of HPLWR is utilized. The calculated axial power in each selected control volume is used in the thermal-hydraulic code to get the properties of the fluid and fuel needed for further neutronic analysis. The process of coupling continues until convergence is achieved. Finally, the obtained neutronic results including axial power distribution, neutron flux, and power peaking factors are discussed in the present article  

In this letter, it is shown that some of the equalities that were used in the proof of the main theorem of the paper given by Lin and Lee are not consistent with fractional calculus principles. Simple counterexamples are provided to confirm this point. Moreover, correct versions of equations that were derived in the mentioned theorem are presented. Based on these corrections, the synchronization scheme proposed in the mentioned paper is investigated  

In our previous work, we presented a Z-based formalism, called NZ, by which one can explicitly specify bounded, unbounded, erratic, angelic, demonic, loose, strict, singular, and plural nondeterminism. The NZ notation is mainly based on a new notion of operation schemas, called multi-schema. Since the operations of the Z schema calculus do not work on multi-schemas anymore, in this paper we augment NZ with a new set of schema calculus operations that can be applied on multi-schemas as well as ordinary operation schemas. To demonstrate the usability of the resulting formalism, we show how this formalism can assist to model game-like situations and concurrent systems as two well-known classes... 

In this paper, a unique and applicable method was developed for calculation of efficiency (and mass and heat transfer coefficients) of randomly-packed distillation columns. This method has potential advantages; e.g., unlike all the available methods, it can calculate efficiency without using any empirical mass transfer and hydraulic correlations, and without the need to estimate the operational and hydraulic parameters of an operating column. It, therefore, will be free of errors and limitations of such empirical items and can be used for efficiency calculation of any random packing including new ones. Along with an analysis of the proposed method, the paper also presents a thorough analysis... 

CO2 sequestration in geological formations, such as aquifers, is known to be the best short-term solution to CO2 mitigation. Accurate description of CO2 solubility in brine is important for evaluating the capacity of aquifers to sequester CO2. Currently, EOS-based models are widely used in reservoir compositional simulators for this purpose. However, most of these models involve complex and iterative calculations which take too much time in case of large-scale flow simulation of geological CO2 storage. In this study, a neural network model is presented for prediction of CO2 solubility in brine which is highly accurate with less computational overhead  

Eligibility is one of the important security properties which must be satisfied in electronic voting systems. This property refers to legitimacy of voters and their right to vote only once. Due to insufficiency of an observational analysis to guarantee this property, formal methods are recently used to build trust on sensitive systems such as e-voting for all the involved parties. This paper reports our attempt to automatically check the eligibility property in electronic voting systems using the model checking approach. ThemCRL2 language and its toolset are also used to achieve such a checking. Two protocols, FOO92 and Lee&Kim, are modeled as case studies  

In the first part of the paper, using a direct calculation two-dimensional motion of a particle sliding on an inclined plane is investigated for general values of friction coefficient (μ). A parametric equation for the trajectory of the particle is also obtained. In the second part of the paper, the motion of a sphere on the inclined plane is studied. It is shown that the evolution equation for the contact point of a sliding sphere is similar to that of a point particle sliding on an inclined plane whose friction coefficient is 7/2 μ. If μ > 2/7 tanθ, for any arbitrary initial velocity and angular velocity, the sphere will roll on the inclined plane after some finite time. In other cases, it... 

We study the fractal properties of the two-dimensional (2D) discrete scale-invariant (DSI) rough surfaces. The contour lines of these rough surfaces show clear DSI. In the appropriate limit the DSI surfaces converge to the scale-invariant rough surfaces. The fractal properties of the 2D DSI rough surfaces apart from possessing the discrete scale-invariance property follow the properties of the contour lines of the corresponding scale-invariant rough surfaces. We check this hypothesis by calculating numerous fractal exponents of the contour lines by using numerical calculations. Apart from calculating the known scaling exponents, some other new fractal exponents are also calculated  

The High-Performance Light Water Reactor (HPLWR) is the European version of the advance nuclear energy power plant at Supercritical-pressure. A light water reactor at supercritical pressure, being currently under design, is the new generation of nuclear reactors. The aim of this study is to predict the HPLWR neutronic behavior of the axial enrichment profile with an average enrichment of 5 w/o U-235. Neutronic calculations are performed using WIMS and CITATION codes. Changes in neutronic parameter, such as Power Peaking Factor (PPF) are discussed in this paper  

Developing general methods that rely on column data for the efficiency estimation of operating (existing) distillation columns has been overlooked in the literature. Most of the available methods are based on empirical mass transfer and hydraulic relations correlated to laboratory data. Therefore, these methods may not be sufficiently accurate when applied to industrial columns. In this paper, an applicable and accurate method was developed for the efficiency estimation of distillation columns filled with trays. This method can calculate efficiency as well as mass and heat transfer coefficients without using any empirical mass transfer or hydraulic correlations and without the need to... 

Local density approximation (LDA) and Green function effective Coulomb (GW) calculations are performed to investigate the effect of electronic correlations on the electronic properties of both graphene and graphane. The size of band gap in graphane increases from 3.7 eV in LDA to 4.9 eV in GW approximation. By calculating maximally localized Wannier wave functions, we evaluate the necessary integrals to get the Hubbard U and the exchange J interaction from first principles for both graphene and graphane. Our ab-initio estimates indicate that in the case of graphene, in addition to the hopping amplitude t ∼ 2.8 eV giving rise to the Dirac nature of low lying excitations, the Hubbard U value... 

In this research, new software package for neutronic calculations, especially kinetic parameters of PWR reactors, has been developed. The program used to link the WIMS-D5, BORGES and CITVAP nuclear codes has been written in Visual C# programming language. This software was used for calculation of kinetic parameters of WER-1000 and NOK Beznau reaction The ration (βeff)i/(βeff)corewhich are an important input data for the reactivity accident analysis, were also calculated. The results were compared with final safety analysis report (FSAR) and published documents. Copyright  

In this paper, it is shown that the fractional-order derivatives of a periodic function with a specific period cannot be a periodic function with the same period. The fractional-order derivative considered here can be obtained based on each of the well-known definitions Grunwald-Letnikov definition, Riemann-Liouville definition and Caputo definition. This concluded point confirms the result of a recently published work proving the non-existence of periodic solutions in a class of fractional-order models. Also, based on this point it can be easily proved the absence of periodic responses in a wider class of fractional-order models. Finally, some examples are presented to show the...