scholarly journals IGE Model: An Extension of the Ideal Gas Model to Include Chemical Composition as Part of the Equilibrium State

2012 ◽  
Vol 2012 ◽  
pp. 1-18 ◽  
Author(s):  
Christopher P. Paolini ◽  
Subrata Bhattacharjee

The ideal gas (IG) model is probably the most well-known gas models in engineering thermodynamics. In this paper, we extend the IG model into an ideal gas equilibrium (IGE model) mixture model by incorporating chemical equilibrium calculations as part of the state evaluation. Through a simple graphical interface, users can set the atomic composition of a gas mixture. We have integrated this model into a thermodynamic web portal TEST (http://thermofluids.sdsu.edu/) that contains Java applets for various models for properties of pure substances. In the state panel of the IGE model, the known thermodynamic properties are entered. For a given pressure and temperature, the mixture's Gibbs function is minimized subject to atomic constraints and the equilibrium composition along with thermodynamic properties of the mixture are calculated and displayed. What is unique about this approach is that equilibrium computations are performed in the background, without requiring any major change in the familiar user interface used in other state daemons. Properties calculated by this equilibrium state daemon are compared with results from other established applications such as NASA CEA and STANJAN. Also, two different algorithms, an iterative approach and a direct approach based on minimizing different thermodynamic functions in different situation, are compared.

Author(s):  
Christopher P. Paolini ◽  
Subrata Bhattacharjee

The TEST (The Expert System for Thermodynamics, www.thermofluids.net) web portal is a comprehensive thermodynamic courseware consisting of multimedia problems and examples, an online solution manual for educators, traditional thermodynamic charts and tables, fifteen chapters of animations to illustrate thermodynamic systems and fundamental concepts, and a suite of thermodynamic calculators called daemons for evaluating thermodynamic properties and analyzing thermodynamic problems.. The state module offers Java applets for evaluation of thermodynamic states of different working substances grouped into several material models according to underlying assumptions. Gas mixtures are modeled by the perfect gas (PG) or ideal gas (IG) mixture models. In this work, we extend the IG model mixture model into an ideal gas equilibrium (IGE) mixture model by incorporating chemical equilibrium calculations as part of the state evaluation process. Through a simple graphical interface users can set the atomic composition of a gas mixture. In the state panel, the known thermodynamic properties are entered. For a given pressure and temperature, the mixture’s Gibbs function is minimized subject to atomic constraints and the equilibrium composition along with thermodynamic properties of the mixture are calculated and displayed. What is unique about this approach is that equilibrium computations are performed in the background, without requiring any major change in the familiar user interface used in other state daemons. Properties calculated by this equilibrium state daemon are compared with results from other established applications such as NASA CEA and STANJAN. Also, two different algorithms, an iterative approach and a direct approach based on minimizing different thermodynamic functions in different situation are compared.


2003 ◽  
Vol 405 (1) ◽  
pp. 85-91 ◽  
Author(s):  
M.B Charapennikau ◽  
A.V Blokhin ◽  
G.J Kabo ◽  
V.M Sevruk ◽  
A.P Krasulin

2020 ◽  
Vol 142 (9) ◽  
Author(s):  
Joseph K. Ausserer ◽  
Marc D. Polanka ◽  
Matthew J. Deutsch ◽  
Jacob A. Baranski ◽  
Keith D. Rein

Abstract In-cylinder temperature is a critical quantity for modeling and understanding combustion dynamics in internal combustion engines (ICEs). It is difficult to measure in small, two-stroke engines due to high operational speeds and limited space to install instrumentation. Optical access was established in a 55-cm3 displacement two-stroke engine using M4 bolts as carriers for sapphire rods to establish a 1.5-mm diameter optical path through the combustion chamber. Temperature laser absorption spectroscopy was successfully used to measure time varying in-cylinder temperature clocked to the piston position with a resolution of 3.6 crank angle degrees (CAD) at 6000 rpm. The resulting temperature profiles clearly showed the traverse of the flame front and were qualitatively consistent with in-cylinder pressure, engine speed, and delivery ratio. The temperature measurements were compared to aggregate in-cylinder temperatures calculated using the ideal gas model using measured in-cylinder pressure and trapped mass calculated at exact port closure as inputs. The calculation was sensitive to the trapped mass determination, and the results show that using the ideal gas model for in-cylinder temperature calculations in heat flux models may fail to capture trends in actual in-cylinder temperature with changing engine operating conditions.


2019 ◽  
Vol 133 ◽  
pp. 292-299
Author(s):  
I.V. Garist ◽  
V.N. Emel'yanenko ◽  
K.U. Kavaliova ◽  
G.N. Roganov

Author(s):  
Boris S. Bokstein ◽  
Mikhail I. Mendelev ◽  
David J. Srolovitz

In this Chapter we apply statistical thermodynamics to condensed matter. We start with a description of the structure of liquids and the relation between this structure and its thermodynamic properties. Taking the low density limit, we derive a general equation of state appropriate for both liquids and gases. Next, we turn to a statistical thermodynamic description of solids. Finally, we consider the statistical theory of solutions. Recall that interactions between molecules in an ideal gas can be ignored for the purpose of determining thermodynamic properties. Therefore, we can assume that the spatial position of a molecule is independent of the positions of all of the other molecules in the gas. In real gases under high pressure and, even more so, in condensed matter, the intermolecular interactions play an important role and the positions of molecules are not independent. In other words, intermolecular interactions lead to the formation of correlations in the location of the molecules or, equivalently, to the development of structure. The energy of the system and the other thermodynamic properties depend on this structure. Therefore, we now turn to a discussion of structure. There are two distinct approaches to this problem. The first approach is designed for crystalline materials and is based upon a description of crystal symmetry. The description of this method is outside the scope of this text. The second is based upon the introduction of probability functions for atom locations and is applicable to disordered systems such as dense gases, liquids, and amorphous solids. Consider, as we are apt to do, the ideal gas. In this case, the probability of finding s molecules at points r1, r2, . . . , rs is simply In contrast with the ideal gas, the positions of molecules in high density gases or condensed matter are not independent of each other. Therefore, we write where Fs(r1, . . . , rs) is called the s-particle correlation function. Note three obvious properties of such functions. First, the system does not change when we exchange two molecules. This implies that the correlation functions should be symmetric with respect to their arguments.


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