An ideal gas model

The simplest gas model is the model of an ideal gas, the essence of which is as follows  

A gas is represented by a set of an enormous number of molecules. It allows one to obtain average values of its physical parameters and to reduce deviations (fluctuations) from them. The thermodynamic balance in the ideal gas is established only due to an exchange of energy between molecules at their collisions. 

Molecules are represented by very small spherical particles, the total volume of which is negligibly small in comparison to the volume that the gas occupies. 

It is supposed that the collisions of molecules occur under the laws of absolute elastic collision (Section 1.5.5). 

It is supposed also that there is no additional physical influence on the system as a whole. 

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For an ideal gas modeled as rigid spheres, the mean free path of the molecules, X, can be related to the temperature, T, and pressure, P, via the following equation [2,3]... 

In the fabrication of practical E-O devices, all of the three critical materials issues (large E-O coefficients, high stability, and low optical loss) need to be simultaneously optimized. One of the major problems encountered in optimizing polymeric E-O materials is to efficiently translate the large P values of organic chromophores into large macroscopic electro-optic activity (r33). According to an ideal-gas model, macroscopic optical nonlinearity should scale as (M is the chromo-... 

In trying to account for the properties of gases, scientists have devised the kinetic molecular theory. The theory describes an ideal gas model by which we can visualize the nature of the gas by comparing it with a physical system we can either see or readily imagine. As always, chemists explain observable macroscopic phenomena in terms of particulate behavior. 

Plenty of the equations aimed at developing an ideal gas model have been suggested (up to 150). Many of them, when applied in practice to certain classes of chemical substances and processes, give good agreement with experiment in limited intervals of tanperatnres and pressure. 

Another important accomplislnnent of the free electron model concerns tire heat capacity of a metal. At low temperatures, the heat capacity of a metal goes linearly with the temperature and vanishes at absolute zero. This behaviour is in contrast with classical statistical mechanics. According to classical theories, the equipartition theory predicts that a free particle should have a heat capacity of where is the Boltzmann constant. An ideal gas has a heat capacity consistent with tliis value. The electrical conductivity of a metal suggests that the conduction electrons behave like free particles and might also have a heat capacity of 3/fg,... 

An ideal gas is a model gas comprised of imaginary molecules of zero volume that do not interact. Each chemical species in an ideal gas mixture therefore has its own private properties, uninfluenced by the presence of other species. The partial pressure of species i (i = 1,2,... , N) in an ideal gas mixture is defined by equation 142 ... 

The traditional unipolar diffusion charging model is based on the kinetic theory of gases i.e., ions are assumed to behave as an ideal gas, the properties of which can described by the kinetic gas theory. According to this theory, the particle-charging rate is a function of the square of the particle size dp, particle charge numbers and mean thermal velocity of tons c,. The relationship between particle charge and time according White s... 

On the other hand, when the gas is modeled as an ideal gas, then h = h T) (enthalpy does not depend on the pressure), and since the velocities are quite low, we deduce from Eq. (14.122) that... 

While the smooth substrate considered in the preceding section is sufficiently reahstic for many applications, the crystallographic structure of the substrate needs to be taken into account for more realistic models. The essential complications due to lack of transverse symmetry can be dehneated by the following two-dimensional structured-wall model an ideal gas confined in a periodic square-well potential field (see Fig. 3). The two-dimensional lamella remains rectangular with variable dimensions Sy. and Sy and is therefore not subject to shear stresses. The boundaries of the lamella coinciding with the x and y axes are anchored. From Eqs. (2) and (10) one has... 

Blast effects can be represented by a number of blast models. Generally, blast effects from vapor cloud explosions are directional. Such effects, however, cannot be modeled without conducting detailed numerical simulations of phenomena. If simplifying assumptions are made, that is, the idealized, symmetrical representation of blast effects, the computational burden is eased. An idealized gas-explosion blast model was generated by computation results are represented in Figure 4.24. Steady flame-speed gas explosions were numerically simulated with the BLAST-code (Van den Berg 1980), and their blast effects were calculated. 

The total energy of a vessel s contents is a measure of the strength of the explosion following rupture. For both the statistical and the theoretical models, a value for this energy must be calculated. The first equation for a vessel filled with an ideal gas was derived by Brode (1959) ... 

The compression factor of an ideal gas is 1, and so deviations from Z = I are a sign of nonideality. Figure 4.28 shows the experimental variation of Z for a number of gases. We see that all gases deviate from Z = 1 as the pressure is raised. Our model of gases must account for these deviations. 

The presence of intermolecular forces also accounts for the variation in the compression factor. Thus, for gases under conditions of pressure and temperature such that Z > 1, the repulsions are more important than the attractions. Their molar volumes are greater than expected for an ideal gas because repulsions tend to drive the molecules apart. For example, a hydrogen molecule has so few electrons that the its molecules are only very weakly attracted to one another. For gases under conditions of pressure and temperature such that Z < 1, the attractions are more important than the repulsions, and the molar volume is smaller than for an ideal gas because attractions tend to draw molecules together. To improve our model of a gas, we need to add to it that the molecules of a real gas exert attractive and repulsive forces on one another. 

FIGURE 7.10 More energy levels become accessible in a lx>x of fixed width as the temperature is raised. The change from part (a) to part (b) is a model of the effect of heating an ideal gas at constant volume. The thermally accessible levels are shown by the tinted band. The average energy of the molecules also increases as the temperature is raised that is, both internal energy and entropy increase with temperature. 

Two-dimensional compressible momentum and energy equations were solved by Asako and Toriyama (2005) to obtain the heat transfer characteristics of gaseous flows in parallel-plate micro-channels. The problem is modeled as a parallel-plate channel, as shown in Fig. 4.19, with a chamber at the stagnation temperature Tstg and the stagnation pressure T stg attached to its upstream section. The flow is assumed to be steady, two-dimensional, and laminar. The fluid is assumed to be an ideal gas. The computations were performed to obtain the adiabatic wall temperature and also to obtain the total temperature of channels with the isothermal walls. The governing equations can be expressed as... 

Many gases are mixtures of two or more species. The atmosphere, with its mixture of nitrogen, oxygen, and various trace gases, is an obvious example. Another ex-ample is the gas used by deep-sea divers, which contains a mixture of helium and oxygen. The ideal gas model provides guidance as to how we describe mixtures of gases. 

Suppose we pump 4.0 mol of helium into a deep-sea diver s tank. If we pump in another 4.0 mol of He, the container now contains 8.0 mol of gas. The pressure can be calculated using the ideal gas equation, with n = 4.0-1-4.0 = 8.0 mol. Now suppose that we pump in 4.0 mol of molecular oxygen. Now the container holds a total of 12.0 mol of gas. According to the ideal gas model, it does not matter whether we add the same gas or a different gas. Because all molecules in a sample of an ideal gas behave independently, the pressure increases in proportion to the increase in the total number of moles of gas. Thus, we can calculate the total pressure from the ideal gas equation, using n — 8.0 + 4.0 = 12.0 mol. 

Phase Equilibria Models Two approaches are available for modeling the fugacity of a solute in a SCF solution. The compressed gas approach includes a fugacity coefficient which goes to unity for an ideal gas. The expanded liquid approach is given as... 

Systems of chemical interest typically contain particles in molar quantity. Mathematical modelling of all interactions in such a system is clearly impossible. Even in a system of non-interacting particles, such as an ideal gas, it would be equally impossible to keep track of all individual trajectories. It is consequently not a trivial matter to extend the mechanical description (either classical or non-classical) of single molecules to macrosystems. It would be required in the first place to define the initial state of each particle in terms of an equation... 

The vapor pressure against temperature data obtained with a Knudsen cell set-up are handled as already described for a low boiling temperature liquid. The main difference stems from the very low pressure of the vapor in equilibrium with the solid, which justifies the adoption of the ideal gas model in this case. ASub ° at the mean temperature can then be derived from equation 2.40 (with Z = 1) and the correction to 298.15 K can be made with an equation similar to 2.41. 

About the same time Beutier and Renon (11) also proposed a similar model for the representation of the equilibria in aqueous solutions of weak electrolytes. The vapor was assumed to be an ideal gas and < >a was set equal to unity. Pitzer s method was used for the estimation of the activity coefficients, but, in contrast to Edwards et al. (j)), two ternary parameters in the activity coefficient expression were employed. These were obtained from data on the two-solute systems It was found that the equilibria in the systems NH3+ H2S+H20, NH3+C02+H20 and NH3+S02+H20 could be represented very well up to high concentrations of the ionic species. However, the model was unreliable at high concentrations of undissociated ammonia. Edwards et al. (1 2) have recently proposed a new expression for the representation of the activity coefficients in the NH3+H20 system, over the complete concentration range from pure water to pure NH3. it appears that this area will assume increasing importance and that one must be able to represent activity coefficients in the region of high concentrations of molecular species as well as in dilute solutions. Cruz and Renon (13) have proposed an expression which combines the equations for electrolytes with the non-random two-liquid (NRTL) model for non-electrolytes in order to represent the complete composition range. In a later publication, Cruz and Renon (J4J, this model was applied to the acetic acid-water system. 

A typical use for this model would be to solve for the number of moles of a gas, given its identity, pressure, volume, and temperature. The iterative solver is used for this purpose. You must decide which variable to choose for iteration and what a reasonable initial guess is. Real gases approach ideal behavior at low pressure and moderate temperatures. Since the compressibility factor z is 1 for an ideal gas, and since knowing z along with P, V, and T allows a calculation of n, we choose z as the iteration variable and 1.0 as the initial guess. 

The first method, which is the more flexible, is to use an activity coefficient model, which is common at moderate or low pressures where the liquid phase is incompressible. At high pressures or when any component is close to or above the critical point (above which the liquid and gas phases become indistinguishable), one can use an equation of state that takes into account the effect of pressure. Two phases, denoted a and P, are in equilibrium when the fugacity / (for an ideal gas the fungacity is equal to the pressure) is the same for each component i in both phases ... 

The numerical jet model [9-11] is based on the numerical solution of the time-dependent, compressible flow conservation equations for total mass, energy, momentum, and chemical species number densities, with appropriate in-flow/outfiow open-boundary conditions and an ideal gas equation of state. In the reactive simulations, multispecies temperature-dependent diffusion and thermal conduction processes [11, 12] are calculated explicitly using central difference approximations and coupled to chemical kinetics and convection using timestep-splitting techniques [13]. Global models for hydrogen [14] and propane chemistry [15] have been used in the 3D, time-dependent reactive jet simulations. Extensive comparisons with laboratory experiments have been reported for non-reactive jets [9, 16] validation of the reactive/diffusive models is discussed in [14]. 

Kinetic Molecular Theory model that defines an ideal gas and assumes the average kinetic energy of gas molecules is directly proportional to the absolute temperature... 

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