**Commenced**in January 2007

**Frequency:**Monthly

**Edition:**International

**Paper Count:**1418

# Search results for: Chemical equilibrium

##### 1418 Thermodynamic Equilibrium of Nitrogen Species Discharge: Comparison with Global Model

**Authors:**
Saktioto,
F.D Ismail,
P.P. Yupapin,
J. Ali

**Abstract:**

**Keywords:**
chemical kinetic model,
Arrhenius equation,
nitrogen plasma,
low pressure discharge

##### 1417 Chemical and Vibrational Nonequilibrium Hypersonic Viscous Flow around an Axisymmetric Blunt Body

**Authors:**
R. Haoui

**Abstract:**

Hypersonic flows around spatial vehicles during their reentry phase in planetary atmospheres are characterized by intense aerothermodynamics phenomena. The aim of this work is to analyze high temperature flows around an axisymmetric blunt body taking into account chemical and vibrational non-equilibrium for air mixture species and the no slip condition at the wall. For this purpose, the Navier-Stokes equations system is resolved by the finite volume methodology to determine the flow parameters around the axisymmetric blunt body especially at the stagnation point and in the boundary layer along the wall of the blunt body. The code allows the capture of shock wave before a blunt body placed in hypersonic free stream. The numerical technique uses the Flux Vector Splitting method of Van Leer. CFL coefficient and mesh size level are selected to ensure the numerical convergence.

**Keywords:**
Hypersonic flow,
viscous flow,
chemical kinetic,
dissociation,
finite volumes,
frozen and non-equilibrium flow.

##### 1416 Physico-chemical State of the Air at the Stagnation Point during the Atmospheric Reentry of a Spacecraft

**Authors:**
Rabah Haoui

**Abstract:**

**Keywords:**
Chemical kinetic,
dissociation,
finite volumes,
frozen,
hypersonic flow,
non-equilibrium,
Reactive flow,
supersonicflow ,
vibration.

##### 1415 Analysis of Model in Pregnant and Non-Pregnant Dengue Patients

**Authors:**
R. Kongnuy,
P. Pongsumpun

**Abstract:**

**Keywords:**
Basic reproductive number,
dengue disease,
equilibrium states,
pregnancy.

##### 1414 Thermodynamic Modeling of the High Temperature Shift Converter Reactor Using Minimization of Gibbs Free Energy

**Authors:**
H. Zare Aliabadi

**Abstract:**

The equilibrium chemical reactions taken place in a converter reactor of the Khorasan Petrochemical Ammonia plant was studied using the minimization of Gibbs free energy method. In the minimization of the Gibbs free energy function the Davidon– Fletcher–Powell (DFP) optimization procedure using the penalty terms in the well-defined objective function was used. It should be noted that in the DFP procedure along with the corresponding penalty terms the Hessian matrices for the composition of constituents in the Converter reactor can be excluded. This, in fact, can be considered as the main advantage of the DFP optimization procedure. Also the effect of temperature and pressure on the equilibrium composition of the constituents was investigated. The results obtained in this work were compared with the data collected from the converter reactor of the Khorasan Petrochemical Ammonia plant. It was concluded that the results obtained from the method used in this work are in good agreement with the industrial data. Notably, the algorithm developed in this work, in spite of its simplicity, takes the advantage of short computation and convergence time.

**Keywords:**
Gibbs free energy,
converter reactors,
Chemical
equilibrium

##### 1413 Multi-Stakeholder Road Pricing Game: Solution Concepts

**Authors:**
Anthony E. Ohazulike,
Georg Still,
Walter Kern,
Eric C. van Berkum

**Abstract:**

A road pricing game is a game where various stakeholders and/or regions with different (and usually conflicting) objectives compete for toll setting in a given transportation network to satisfy their individual objectives. We investigate some classical game theoretical solution concepts for the road pricing game. We establish results for the road pricing game so that stakeholders and/or regions playing such a game will beforehand know what is obtainable. This will save time and argument, and above all, get rid of the feelings of unfairness among the competing actors and road users. Among the classical solution concepts we investigate is Nash equilibrium. In particular, we show that no pure Nash equilibrium exists among the actors, and further illustrate that even “mixed Nash equilibrium" may not be achievable in the road pricing game. The paper also demonstrates the type of coalitions that are not only reachable, but also stable and profitable for the actors involved.

**Keywords:**
Road pricing game,
Equilibrium problem with equilibrium constraint (EPEC),
Nash equilibrium,
Game stability.

##### 1412 Effect of Chemical Modifier on the Properties of Polypropylene (PP) / Coconut Fiber (CF) in Automotive Application

**Authors:**
K. Shahril,
A. Nizam,
M. Sabri,
A. Siti Rohana,
H. Salmah

**Abstract:**

Chemical modifier (Acrylic Acid) is used as filler treatment to improve mechanical properties and swelling behavior of polypropylene/coconut fiber (PP/CF) composites by creating more adherent bonding between CF filler and PP Matrix. Treated (with chemical modifier) and untreated (without chemical modifier) composites were prepared in the formulation of 10 wt%, 20 wt%, 30 wt%, and 40 wt%. The mechanical testing indicates that composite with 10 wt% of untreated composite has the optimum value of tensile strength, and the composite with chemical modifier shows the tensile strength was increased. By increasing of filler loading, elastic modulus was increased while the elongation at brake was decreased. Meanwhile, the swelling test discerned that the increase of filler loading increased the water absorption of composites and the presence of chemical modifier reduced the equilibrium water absorption percentage.

**Keywords:**
Coconut fiber,
polypropylene,
acid acrylic,
ethanol,
chemical modifier,
composites.

##### 1411 The Optimal Equilibrium Capacity of Information Hiding Based on Game Theory

**Authors:**
Ziquan Hu,
Kun She,
Shahzad Ali,
Kai Yan

**Abstract:**

**Keywords:**
2-Phase Game,
Expected Equilibrium damage,
InformationHiding,
Optimal Equilibrium Capacity.

##### 1410 Pure Scalar Equilibria for Normal-Form Games

**Authors:**
H. W. Corley

**Abstract:**

A scalar equilibrium (SE) is an alternative type of equilibrium in pure strategies for an n-person normal-form game G. It is defined using optimization techniques to obtain a pure strategy for each player of G by maximizing an appropriate utility function over the acceptable joint actions. The players’ actions are determined by the choice of the utility function. Such a utility function could be agreed upon by the players or chosen by an arbitrator. An SE is an equilibrium since no players of G can increase the value of this utility function by changing their strategies. SEs are formally defined, and examples are given. In a greedy SE, the goal is to assign actions to the players giving them the largest individual payoffs jointly possible. In a weighted SE, each player is assigned weights modeling the degree to which he helps every player, including himself, achieve as large a payoff as jointly possible. In a compromise SE, each player wants a fair payoff for a reasonable interpretation of fairness. In a parity SE, the players want their payoffs to be as nearly equal as jointly possible. Finally, a satisficing SE achieves a personal target payoff value for each player. The vector payoffs associated with each of these SEs are shown to be Pareto optimal among all such acceptable vectors, as well as computationally tractable.

**Keywords:**
Compromise equilibrium,
greedy equilibrium,
normal-form game,
parity equilibrium,
pure strategies,
satisficing equilibrium,
scalar equilibria,
utility function,
weighted equilibrium.

##### 1409 Phase Equilibrium of Volatile Organic Compounds in Polymeric Solvents Using Group Contribution Methods

**Authors:**
E. Muzenda

**Abstract:**

**Keywords:**
Volatile organic compounds,
Prediction,
Phaseequilibrium,
Environmental,
Infinite dilution.

##### 1408 Constructive Proof of the Existence of an Equilibrium in a Competitive Economy with Sequentially Locally Non-Constant Excess Demand Functions

**Authors:**
Yasuhito Tanaka

**Abstract:**

**Keywords:**
Sequentially locally non-constant excess demand functions,
Equilibrium in a competitive economy,
Constructive mathematics

##### 1407 A Comparative Study on Different Approaches to Evaluate Ship Equilibrium Point

**Authors:**
Alessandro A. Zizzari,
Francesca Calabrese,
Giovanni Indiveri,
Andrea Coraddu,
Diego Villa

**Abstract:**

**Keywords:**
Algorithms,
Computer applications,
Equilibrium,
Marine applications,
Stability System.

##### 1406 Simulation of Reactive Distillation: Comparison of Equilibrium and Nonequilibrium Stage Models

**Authors:**
Asfaw Gezae Daful

**Abstract:**

In the present study, two distinctly different approaches are followed for modeling of reactive distillation column, the equilibrium stage model and the nonequilibrium stage model. These models are simulated with a computer code developed in the present study using MATLAB programming. In the equilibrium stage models, the vapor and liquid phases are assumed to be in equilibrium and allowance is made for finite reaction rates, where as in the nonequilibrium stage models simultaneous mass transfer and reaction rates are considered. These simulated model results are validated from the experimental data reported in the literature. The simulated results of equilibrium and nonequilibrium models are compared for concentration, temperature and reaction rate profiles in a reactive distillation column for Methyl Tert Butyle Ether (MTBE) production. Both the models show similar trend for the concentration, temperature and reaction rate profiles but the nonequilibrium model predictions are higher and closer to the experimental values reported in the literature.

**Keywords:**
Reactive Distillation,
Equilibrium model,
Nonequilibrium model,
Methyl Tert-Butyl Ether

##### 1405 Isobaric Vapor-Liquid Equilibrium of Binary Mixture of Methyl Acetate with Isopropylbenzene at 97.3 kPa

**Authors:**
Seema Kapoor,
Baljinder K. Gill,
V. K. Rattan

**Abstract:**

**Keywords:**
Binary mixture,
Isopropylbenzene,
Methyl acetate,
Vapor-liquid equilibrium.

##### 1404 Using Axiomatic Design for Developing a Framework of Manufacturing Cloud Service Composition in the Equilibrium State

**Authors:**
Ehsan Vaziri Goodarzi,
Mahmood Houshmand,
Omid Fatahi Valilai,
Vahidreza Ghezavati,
Shahrooz Bamdad

**Abstract:**

**Keywords:**
Axiomatic design,
manufacturing cloud service composition,
cloud manufacturing,
Industry 4.0.

##### 1403 Non-equilibrium Statistical Mechanics of a Driven Lattice Gas Model: Probability Function, FDT-violation, and Monte Carlo Simulations

**Authors:**
K. Sudprasert,
M. Precharattana,
N. Nuttavut,
D. Triampo,
B. Pattanasiri,
Y. Lenbury,
W. Triampo

**Abstract:**

**Keywords:**
Non-equilibrium,
lattice gas,
stochastic process

##### 1402 Isobaric Vapor-Liquid Equilibrium Data for Binary Mixture of 2-Methyltetrahydrofuran and Cumene

**Authors:**
V. K. Rattan,
Baljinder K. Gill,
Seema Kapoor

**Abstract:**

**Keywords:**
Binary mixture,
2-Methyltetrahydrofuran,
Cumene,
Vapor-liquid equilibrium,
UNIFAC,
Excess Gibbs free energy.

##### 1401 A Theoretical Analysis for Modeling and Prediction of the Jet Engine Emissions

**Authors:**
Jamal S. Yassin

**Abstract:**

This paper is to formulate a mathematical model to predict the amounts of the emissions produced from the combustion process of the gas turbine unit of the jet engine. These emissions have bad impacts on the environment if they are out of standards, which cause real threats to all type of life on the earth. The amounts of the emissions from the gas turbine engine are functions to many operational and design factors. In landing-takeoff (LTO) these amounts are not the same as in taxi or cruise of the plane using jet engines, because of the difference in the activity period during these operating modes. These emissions can be affected by several physical and chemical variables, such as fuel type, fuel to air ratio or equivalence ratio, flame temperature, combustion pressure, in addition to some inlet conditions such as ambient temperature and air humidity. To study the influence of these variables on the amounts of these emissions during the combustion process in the gas turbine unit, a computer program has been developed by using the visual basic 6 software. Here, the analysis of the combustion process is carried out by considering it as a chemical reaction with shifting equilibrium to find the products of the combustion of the octane fuel, at different equivalence ratios, compressor pressure ratios (CPR) and combustion temperatures. The results obtained have shown that there is noticeable influence of the equivalence ratio, CPR, and the combustion temperature on the amounts of the main emissions which are considered pollutants, such as CO, CO_{2} and NO.

**Keywords:**
Mathematical model,
gas turbine unit,
equivalence ratio,
emissions,
shifting equilibrium.

##### 1400 Equilibrium and Rate Based Simulation of MTBE Reactive Distillation Column

**Authors:**
Debashish Panda,
Kannan A.

**Abstract:**

Equilibrium and rate based models have been applied in the simulation of methyl tertiary-butyl ether (MTBE) synthesis through reactive distillation. Temperature and composition profiles were compared for both the models and found that both the profiles trends, though qualitatively similar are significantly different quantitatively. In the rate based method (RBM), multicomponent mass transfer coefficients have been incorporated to describe interphase mass transfer. MTBE mole fraction in the bottom stream is found to be 0.9914 in the Equilibrium Model (EQM) and only 0.9904 for RBM when the same column configuration was preserved. The individual tray efficiencies were incorporated in the EQM and simulations were carried out. Dynamic simulation have been also carried out for the two column configurations and compared.

**Keywords:**
Aspen Plus,
equilibrium stage model,
methyl
tertiary-butyl ether,
rate based model.

##### 1399 Isobaric Vapor-Liquid Equilibrium Data for Binary Mixtures of n-Butylamine and Triethylamine with Cumene at 97.3 kPa

**Authors:**
Baljinder K. Gill,
V. K. Rattan,
Seema Kapoor

**Abstract:**

Isobaric vapor-liquid equilibrium measurements are reported for the binary mixtures of n-Butylamine and Triethylamine with Cumene at 97.3 kPa. The measurements have been performed using a vapor recirculating type (modified Othmer's) equilibrium still. The binary mixture of n-Butylamine + Cumene shows positive deviation from ideality. Triethylamine + Cumene mixture shows negligible deviation from ideality. None of the systems form an azeotrope. The activity coefficients have been calculated taking into consideration the vapor phase nonideality. The data satisfy the thermodynamic consistency test of Herington. The activity coefficients have been satisfactorily correlated by means of the Margules, NRTL, and Black equations. The activity coefficient values obtained by the UNIFAC model are also reported.

**Keywords:**
Binary mixture,
cumene,
n-butylamine,
triethylamine,
vapor-liquid equilibrium.

##### 1398 Finding Equilibrium in Transport Networks by Simulation and Investigation of Behaviors

**Authors:**
Gábor Szűcs,
Gyula Sallai

**Abstract:**

**Keywords:**
Dempster-Shafer theory,
S-O and U-Otransportation network,
uncertainty of information,
Wardropequilibrium.

##### 1397 Equilibrium, Kinetic and Thermodynamic Studies on Biosorption of Cd (II) and Pb (II) from Aqueous Solution Using a Spore Forming Bacillus Isolated from Wastewater of a Leather Factory

**Authors:**
Sh. Kianfar,
A. Moheb,
H. Ghaforian

**Abstract:**

**Keywords:**
biosorption,
kinetics,
Metal ion removal,
thermodynamics

##### 1396 Kinetic Spectrophotometric Determination of Ramipril in Commercial Dosage Forms

**Authors:**
Nafisur Rahman,
Habibur Rahman,
Syed Najmul Hejaz Azmi

**Abstract:**

**Keywords:**
Equilibrium method,
Fixed-time (ΔA) method,
Ramipril,
Spectrophotometry.

##### 1395 Effect of Al Addition on Microstructure and Physical Properties of Fe-36Ni Invar Alloy

**Authors:**
Seok Hong Min,
Tae Kwon Ha

**Abstract:**

High strength Fe-36Ni-base Invar alloys containing Al contents up to 0.3 weight percent were cast into ingots and thermodynamic equilibrium during solidification has been investigated in this study. From the thermodynamic simulation using Thermo-Calc®, it has been revealed that equilibrium phases which can be formed are two kinds of MC-type precipitates, MoC, and M_{2}C carbides. The mu phase was also expected to form by addition of aluminum. Microstructure observation revealed the coarse precipitates in the as-cast ingots, which was non-equilibrium phase and could be resolved by the successive heat treatment. With increasing Al contents up to 0.3 wt.%, tensile strength of Invar alloy increased as 1400MPa after cold rolling and thermal expansion coefficient increased significantly. Cold rolling appeared to dramatically decrease thermal expansion coefficient.

**Keywords:**
Invar alloy,
Aluminum,
Phase equilibrium,
thermal expansion coefficient,
microstructure,
tensile properties.

##### 1394 Complex Dynamics of Bertrand Duopoly Games with Bounded Rationality

**Authors:**
Jixiang Zhang,
Guocheng Wang

**Abstract:**

A dynamic of Bertrand duopoly game is analyzed, where players use different production methods and choose their prices with bounded rationality. The equilibriums of the corresponding discrete dynamical systems are investigated. The stability conditions of Nash equilibrium under a local adjustment process are studied. The stability conditions of Nash equilibrium under a local adjustment process are studied. The stability of Nash equilibrium, as some parameters of the model are varied, gives rise to complex dynamics such as cycles of higher order and chaos. On this basis, we discover that an increase of adjustment speed of bounded rational player can make Bertrand market sink into the chaotic state. Finally, the complex dynamics, bifurcations and chaos are displayed by numerical simulation.

**Keywords:**
Bertrand duopoly model,
Discrete dynamical system,
Heterogeneous expectations,
Nash equilibrium.

##### 1393 Defluoridation of Water by Schwertmannite

**Authors:**
Aparajita Goswami,
Mihir K Purkait

**Abstract:**

**Keywords:**
Adsorption,
fluoride,
isotherm study,
kinetics,
schwertmannite.

##### 1392 Study of Mixed Convection in a Vertical Channel Filled with a Reactive Porous Medium in the Absence of Local Thermal Equilibrium

**Authors:**
Hamid Maidat,
Khedidja Bouhadef,
Djamel Eddine Ameziani,
Azzedine Abdedou

**Abstract:**

**Keywords:**
Mixed convection,
porous medium,
power
generation,
local thermal non equilibrium model.

##### 1391 Equilibrium Modeling of Cu and Ni Removal from Aqueous Solutions: Influence of Salinity

**Authors:**
Tomáš Bakalár,
Milan Búgel,
Henrieta Pavolová

**Abstract:**

This study deals with evaluation of influence of salinity (NaCl) onto equilibrium of Cu and Ni removal from aqueous solutions by natural sorbent – zeolite. Equilibrium data were obtained by batch experiments. The salinity of the aqueous solution was influenced by dissolving NaCl in distilled water. It was studied in the range of NaCl concentrations from 1 g.l-1 to 100g.l-1. For Cu sorption there is a significant influence of salinity. The maximum capacity of zeolite for Cu was decreasing with growing concentration of NaCl. For Ni sorption there is not so significant influence of salinity as for Cu. The maximum capacity of zeolite for Ni was slightly decreasing with growing concentration of NaCl.

**Keywords:**
Cu,
Ni,
sorption,
zeolite.

##### 1390 Method of Parameter Calibration for Error Term in Stochastic User Equilibrium Traffic Assignment Model

**Authors:**
Xiang Zhang,
David Rey,
S. Travis Waller

**Abstract:**

Stochastic User Equilibrium (SUE) model is a widely used traffic assignment model in transportation planning, which is regarded more advanced than Deterministic User Equilibrium (DUE) model. However, a problem exists that the performance of the SUE model depends on its error term parameter. The objective of this paper is to propose a systematic method of determining the appropriate error term parameter value for the SUE model. First, the significance of the parameter is explored through a numerical example. Second, the parameter calibration method is developed based on the Logit-based route choice model. The calibration process is realized through multiple nonlinear regression, using sequential quadratic programming combined with least square method. Finally, case analysis is conducted to demonstrate the application of the calibration process and validate the better performance of the SUE model calibrated by the proposed method compared to the SUE models under other parameter values and the DUE model.

**Keywords:**
Parameter calibration,
sequential quadratic
programming,
Stochastic User Equilibrium,
traffic assignment,
transportation planning.

##### 1389 Solubility of Organics in Water and Silicon Oil: A Comparative Study

**Authors:**
Edison Muzenda

**Abstract:**

The aim of this study was to compare the solubility of selected volatile organic compounds in water and silicon oil using the simple static headspace method. The experimental design allowed equilibrium achievement within 30 – 60 minutes. Infinite dilution activity coefficients and Henry-s law constants for various organics representing esters, ketones, alkanes, aromatics, cycloalkanes and amines were measured at 303K. The measurements were reproducible with a relative standard deviation and coefficient of variation of 1.3x10-3 and 1.3 respectively. The static determined activity coefficients using shaker flasks were reasonably comparable to those obtained using the gas liquid - chromatographic technique and those predicted using the group contribution methods mainly the UNIFAC. Silicon oil chemically known as polydimethysiloxane was found to be better absorbent for VOCs than water which quickly becomes saturated. For example the infinite dilution mole fraction based activity coefficients of hexane is 0.503 and 277 000 in silicon oil and water respectively. Thus silicon oil gives a superior factor of 550 696. Henry-s law constants and activity coefficients at infinite dilution play a significant role in the design of scrubbers for abatement of volatile organic compounds from contaminated air streams. This paper presents the phase equilibrium of volatile organic compounds in very dilute aqueous and polymeric solutions indicating the movement and fate of chemical in air and solvent. The successful comparison of the results obtained here and those obtained using other methods by the same authors and in literature, means that the results obtained here are reliable.

**Keywords:**
Abatement,
absorbent,
activity coefficients,
equilibrium,
Henry's law constant.