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404 full-text articles. Page 8 of 14.

Multi-Scale Models For Sulfonated Cross-Linked Poly (1, 3-Cyclohexadiene) Polymer, Qifei Wang, David Keffer, Suxiang Deng, Jimmy Mays 2013 University of Tennessee - Knoxville

Multi-Scale Models For Sulfonated Cross-Linked Poly (1, 3-Cyclohexadiene) Polymer, Qifei Wang, David Keffer, Suxiang Deng, Jimmy Mays

Jimmy W. Mays

Atomistic and coarse-grained (CG) models of cross-linked sulfonated Poly (1, 3-cyclohexadiene) (xsPCHD) were developed and implemented in Molecular Dynamics (MD) simulations of PCHD chains with different architectures. In the atomistic model, PCHD chains are cross linked by a sulfur–sulfur bond. Sulfonic acid groups are evenly distributed along the chain. The architecture is specifically aimed for application as a proton exchange membrane used in fuel cells. An atomistic force field for this architecture was tested and applied in the atomistic MD simulation of xsPCHD for the first time. The atomistic simulations generate the density and cross-linker separation distribution. To further ...


Solubility And Solubility Modelling Of Polycyclic Aromatic Hydrocarbons In Subcritical Water, Wen Hui Teoh WH Teoh 2013 University of Malaya

Solubility And Solubility Modelling Of Polycyclic Aromatic Hydrocarbons In Subcritical Water, Wen Hui Teoh Wh Teoh

Wen Hui TEOH

A static analytical equilibrium method was used to measure the binary and ternary solubilities of anthracene and p-terphenyl in subcritical water between 393 K and 473 K, and at 50 bar and 150 bar. Temperature was found to have the most significant effect on the solubility of polycyclic aromatic hydrocarbons (PAHs) in subcritical water. The effect of pressure, and the combined effect of temperature and pressure on solubility were found to be insignificant, particularly when the range of pressure considered is relatively small. The solubilities of PAHs were found to be governed primarily by sublimation pressure, and only secondarily by ...


Note: A Simple Thermal Gradient Annealing Unit For The Treatment Of Thin Films, C. J. Metting, Johnathan K. Bunn, Ellen A. Underwood, Yihao Zhu, G. Koley, T. Crawford, Jason R. Hattrick-Simpers 2013 University of South Carolina - Columbia

Note: A Simple Thermal Gradient Annealing Unit For The Treatment Of Thin Films, C. J. Metting, Johnathan K. Bunn, Ellen A. Underwood, Yihao Zhu, G. Koley, T. Crawford, Jason R. Hattrick-Simpers

Faculty Publications

A gradient annealing cell has been developed for the high-throughput study of thermalannealing effects on thin-film libraries in different environments. The inexpensive gradientannealing unit permits temperature gradients as large as 28 °C/mm and can accommodate samples ranging in length from 13 mm to 51 mm. The system was validated by investigating the effects of annealing temperature on the crystallinity, resistivity, and transparency of tin-doped indium oxide deposited on a glass substrate by magnetron sputtering. The unit developed in this work will permit the rapid optimization of materials properties such as crystallinity, homogeneity, and conductivity across a variety of applications.


Boiling Heat Transfer On Superhydrophilic, Superhydrophobic, And Superbiphilic Surfaces, Amy Rachel Betz, James Jenkins, Chang-Jin Kim, Daniel Attinger 2013 Kansas State University

Boiling Heat Transfer On Superhydrophilic, Superhydrophobic, And Superbiphilic Surfaces, Amy Rachel Betz, James Jenkins, Chang-Jin Kim, Daniel Attinger

Mechanical Engineering Publications

With recent advances in micro- and nanofabrication, superhydrophilic and superhydrophobic surfaces have been developed. The statics and dynamics of fluids on these surfaces have been well characterized. However, few investigations have been made into the potential of these surfaces to control and enhance other transport phenomena. In this article, we characterize pool boiling on surfaces with wettabilities varied from superhydrophobic to superhydrophilic, and provide nucleation measurements. The most interesting result of our measurements is that the largest heat transfer coefficients are reached not on surfaces with spatially uniform wettability, but on biphilic surfaces, which juxtapose hydrophilic and hydrophobic regions. We ...


Solubility Of Organometallic Complexes In Supercritical Carbon Dioxide: A Review, Wen Hui Teoh WH Teoh, Mammucari Raffaela R Mammucari, Neil R. Foster NR Foster 2013 University of Malaya

Solubility Of Organometallic Complexes In Supercritical Carbon Dioxide: A Review, Wen Hui Teoh Wh Teoh, Mammucari Raffaela R Mammucari, Neil R. Foster Nr Foster

Wen Hui TEOH

The solubility of organometallic complexes and their solubility trends in supercritical carbon dioxide were reviewed. A number of thermodynamic models currently used to predict the solute-fluid behavior of organometallic complexes in supercritical carbon dioxide, and the advantages and limitations to these thermodynamic models, were also discussed.


Synthesis And Adsorption Properties Of Activated Carbons From Biomass Of Prunus Domestica And Jacaranda Mimosifolia For The Removal Of Heavy Metals And Dyes From Water, H. Treviño-Cordero, L.G. Juárez-Aguilar, D.I. Mendoza-Castillo, V. Hernandez-Montoya, A. Bonilla-Petriciolet, M.A. Montes-Moran 2013 Instituto Tecnológico de Aguascalientes

Synthesis And Adsorption Properties Of Activated Carbons From Biomass Of Prunus Domestica And Jacaranda Mimosifolia For The Removal Of Heavy Metals And Dyes From Water, H. Treviño-Cordero, L.G. Juárez-Aguilar, D.I. Mendoza-Castillo, V. Hernandez-Montoya, A. Bonilla-Petriciolet, M.A. Montes-Moran

Adrian Bonilla-Petriciolet

Activated carbon is the most widely used adsorbent for wastewater treatment and water pollution control. Lignocellulosic precursors obtained from crops and fruits offer several advantages for synthesizing activated carbons due to its wide availability and their interesting physicochemical properties. In particular, biomass of plum kernel and jacaranda are alternative lignocellulosic precursors for activated carbon preparation. This study reports the application of Prunus domestica and Jacaranda mimosifolia biomass for the synthesis of activated carbons to remove commercial dyes (i.e., AB25 and methylene blue) and Pb2+ ions from aqueous solutions. Two different methodologies for the preparation of activated carbons were analyzed ...


Role Of Acid Blue 25 Dye As Active Site For The Adsorption Of Cd2+ And Zn2+ Using Activated Carbons, Ismael Alejandro Aguayo-Villarreal, Virginia Hernandez-Montoya, Adrian Bonilla-Petriciolet, Rigoberto Tovar-Gomez, Elsa M. Ramirez-Lopez, Miguel A. Montes-Moran 2013 Instituto Tecnológico de Aguascalientes

Role Of Acid Blue 25 Dye As Active Site For The Adsorption Of Cd2+ And Zn2+ Using Activated Carbons, Ismael Alejandro Aguayo-Villarreal, Virginia Hernandez-Montoya, Adrian Bonilla-Petriciolet, Rigoberto Tovar-Gomez, Elsa M. Ramirez-Lopez, Miguel A. Montes-Moran

Adrian Bonilla-Petriciolet

The adsorption of acid blue 25, Cd2+ and Zn2+ on a physically activated bituminous carbon and a phosphoric activated carbon from wood was studied using single and binary (dye/metal) solutions, at 30 °C and pH 5. Results showed a synergic effect of acid blue 25 in the adsorption of Cd+2 and Zn+2. Thus, the amount of metal ions adsorbed on both activated carbons increased with the initial concentration of acid blue 25. The effect was especially remarkable in the case of the adsorption of Zn2+ ions on the wood-based carbon. For this particular system, the metal uptake ...


Cuckoo Search: A New Nature-Inspired Optimization Method For Phase Equilibrium Calculations, Vaibhav Bhargava, Seif-Eddeen K. Fateen, Adrian Bonilla-Petriciolet 2013 Indian Institute of Technology - Kharagpur

Cuckoo Search: A New Nature-Inspired Optimization Method For Phase Equilibrium Calculations, Vaibhav Bhargava, Seif-Eddeen K. Fateen, Adrian Bonilla-Petriciolet

Adrian Bonilla-Petriciolet

In this work, Cuckoo Search is introduced for performing phase equilibrium and stability calculations for the first time. Cuckoo Search is a population-based method that mimics the reproduction strategy of cuckoos. This meta-heuristics have been successfully used for solving some engineering design and optimization problems with promising results. However, this emerging optimization method has not been applied in chemical engineering problems including thermodynamic calculations. This study reports the application of Cuckoo Search and its modified version for phase equilibrium and stability calculations in both reactive and non-reactive systems. Performance of this nature-inspired optimization method has been analyzed using several phase ...


Competitive Adsorption Of Dyes And Heavy Metals On Zeolitic Structures, Virginia Hernández-Montoya, María Ana Pérez-Cruz, Didilia Ileana Mendoza-Castillo, Ma. del Rosario Moreno-Virgen, Adrian Bonilla-Petriciolet 2013 Instituto Tecnológico de Aguascalientes

Competitive Adsorption Of Dyes And Heavy Metals On Zeolitic Structures, Virginia Hernández-Montoya, María Ana Pérez-Cruz, Didilia Ileana Mendoza-Castillo, Ma. Del Rosario Moreno-Virgen, Adrian Bonilla-Petriciolet

Adrian Bonilla-Petriciolet

The adsorption of Acid blue 25, basic blue 9, basic violet 3, Pb, Ni, Zn and Cd ions has been studied in single and dye–metal binary solutions using two mineral materials: Clinoptilolite (CL) and ER (Erionite). These zeolites were characterized by FT-IR spectroscopy; potentiometric titration and nitrogen adsorption isotherms at 77 K to obtain their textural parameters. Results indicated that ER has an acidic character and a high specific surface (401 m2/g) in contrast with the zeolite CL (21 m2/ g). Surprisingly, the removal of dyes was very similar for the two zeolites and they showed a considerable ...


Sorption Mechanism Of Anionic Dyes On Pecan Nut Shells (Carya Illinoinensis) Using Batch And Continuous Systems, Ismael A. Aguayo-Villarreal, Luis A. Ramírez-Montoya, Virginia Hernández-Montoya, Adrian Bonilla-Petriciolet, Miguel A. Montes-Morán, Elsa M. Ramírez-López 2013 Instituto Tecnológico de Aguascalientes

Sorption Mechanism Of Anionic Dyes On Pecan Nut Shells (Carya Illinoinensis) Using Batch And Continuous Systems, Ismael A. Aguayo-Villarreal, Luis A. Ramírez-Montoya, Virginia Hernández-Montoya, Adrian Bonilla-Petriciolet, Miguel A. Montes-Morán, Elsa M. Ramírez-López

Adrian Bonilla-Petriciolet

The biomass derived from pecan nut processing (Carya illinoinensis) fro alimentary purpose, specifically the pecan shells were used in this work as a biosorbent of acid blue 74 (AB74), acid blue 25 (AB25) and reactive blue 4 (RB4). This biomass was characterized by ultimate and proximate analysis. FT-IR spectroscopy, X-ray diffraction and SEM/EDX. Adsorption studies were performed in batch and continuous systems and adsorption kinetics, isotherms and breakthrough curves were experimentally determined. Results obtained suggest that the calcium compounds occurring in pecan shells are responsible of the favorable adsorption of anionic dyes, specifically for the removal of AB74. Biosorption ...


Assessment Of Capabilities And Limitations Of Stochastic Global Optimization Methods For Modeling Mean Activity Coefficients Of Ionic Liquids, Adrian Bonilla-Petriciolet, Seif-Eddeen K. Fateen, Gade Pandu Rangaiah 2013 Cairo University

Assessment Of Capabilities And Limitations Of Stochastic Global Optimization Methods For Modeling Mean Activity Coefficients Of Ionic Liquids, Adrian Bonilla-Petriciolet, Seif-Eddeen K. Fateen, Gade Pandu Rangaiah

Adrian Bonilla-Petriciolet

In this paper, we have studied and analyzed the capabilities and limitations of seven stochastic global optimization methods to model mean activity coefficients of ammonium aqueous electrolytes using the electrolyte NRTL model. These stochastic methods are: simulated annealing (SA), genetic algorithm (GA), differential evolution (DE), particle swarm optimization (PSO), DE with tabu list (DETL), harmony search (HS) and bare bones PSO (BBPSO). Convergence characteristics and performances of these optimization methods have been tested and compared using different stopping conditions. Overall, our results indicate that SA, DETL and BBPSO offer better performance and promising convergence characteristics for solving parameter estimation problems ...


An Improved Ant Colony Optimization Method And Its Application For The Thermodynamic Modeling Of Phase Equilibrium, Jorge A. Fernández-Vargas, Adrian Bonilla-Petriciolet, Juan Gabriel Segovia-Hernández 2013 Universidad de Guanajuato

An Improved Ant Colony Optimization Method And Its Application For The Thermodynamic Modeling Of Phase Equilibrium, Jorge A. Fernández-Vargas, Adrian Bonilla-Petriciolet, Juan Gabriel Segovia-Hernández

Adrian Bonilla-Petriciolet

Ant Colony Optimization (ACO) is a stochastic optimization method that emulates the indirect communication among the individuals of an ant colony. This multi-agent strategy has been used to solve optimization problems from engineering applications, especially for combinatorial problems. Although ACO seems to be effective for global optimization, only few ACO algorithms have been reported for solving engineering applications problems with continuous decision variables. In this study, a new continuous ACO algorithm, with feasible region selection, has been implemented and applied to perform thermodynamic calculations related to the modeling of phase equilibrium. In particular, the numerical capabilities of this ACO algorithm ...


Semi-Empirical Correlation For Binary Interaction Parameters Of The Peng-Robinson Equation Of State With The Van-Der-Waals Mixing Rules For The Prediction Of High-Pressure Vapor-Liquid Equilibrium, Seif-Eddeen K. Fateen, Menna Khalil, Ahmed O. Elnabawy 2013 Cairo University

Semi-Empirical Correlation For Binary Interaction Parameters Of The Peng-Robinson Equation Of State With The Van-Der-Waals Mixing Rules For The Prediction Of High-Pressure Vapor-Liquid Equilibrium, Seif-Eddeen K. Fateen, Menna Khalil, Ahmed O. Elnabawy

Seif-Eddeen K Fateen

Peng-Robinson Equation of State is widely used with the classical van der Waals mixing rules to predict vapor liquid equilibria for system containing hydrocarbons and related compounds. This model requires good values of the binary interaction parameter kij. In this work, we developed a semi-empirical correlation for kij partly based on the Huron-Vidal mixing rules. We obtained values for the adjustable parameters of the developed formula for over sixty binary systems and over ten categories of components. The predictions of the new equation system were slightly better than the constant-kij model in most cases, except for ten systems whose predictions ...


Assessment Of Capabilities And Limitations Of Stochastic Global Optimization Methods For Modeling Mean Activity Coefficients Of Ionic Liquids, Adrián Bonilla-Petriciolet, Seif-Eddeen K. Fateen, Gade P. Rangaiah 2013 Cairo University

Assessment Of Capabilities And Limitations Of Stochastic Global Optimization Methods For Modeling Mean Activity Coefficients Of Ionic Liquids, Adrián Bonilla-Petriciolet, Seif-Eddeen K. Fateen, Gade P. Rangaiah

Seif-Eddeen K Fateen

In this paper, we have studied and analyzed the capabilities and limitations of seven stochastic global optimization methods to model mean activity coefficients of ammonium aqueous electrolytes using the electrolyte NRTL model. These stochastic methods are: simulated annealing (SA), genetic algorithm (GA), differential evolution (DE), particle swarm optimization (PSO), DE with tabu list (DETL), harmony search (HS) and bare bones PSO (BBPSO). Convergence characteristics and performances of these optimization methods have been tested and compared using different stopping conditions. Overall, our results indicate that SA, DETL and BBPSO offer better performance and promising convergence characteristics for solving parameter estimation problems ...


Mechaniczny Rozdział Faz Proj., Wojciech M. Budzianowski 2013 Wroclaw University of Technology

Mechaniczny Rozdział Faz Proj., Wojciech M. Budzianowski

Wojciech Budzianowski

No abstract provided.


Challenges And Prospects Of Processes Utilising Carbonic Anhydrase For Co2 Separation, Patrycja Szeligiewicz, Wojciech M. Budzianowski 2013 Wroclaw University of Technology

Challenges And Prospects Of Processes Utilising Carbonic Anhydrase For Co2 Separation, Patrycja Szeligiewicz, Wojciech M. Budzianowski

Wojciech Budzianowski

This article provides an analysis of processes for separation CO2 by using carbonic anhydrase enzyme with particular emphasis on reactive-membrane solutions. Three available processes are characterised. Main challenges and prospects are given. It is found that in view of numerous challenges practical applications of these processes will be difficult in near future. Further research is therefore needed for improving existing processes through finding methods for eliminating their main drawbacks such as short lifetime of carbonic anhydrase or low resistance of reactive membrane systems to impurities contained in flue gases from power plants.


Background And Available Potential Energy In Numerical Simulations Of A Boussinesq Fluid, Shreyas S. Panse 2013 University of Massachusetts Amherst

Background And Available Potential Energy In Numerical Simulations Of A Boussinesq Fluid, Shreyas S. Panse

Masters Theses 1911 - February 2014

In flows with stable density stratification, a portion of the gravitational potential energy is available for conversion to kinetic energy. The remainder is not and is called “background potential energy”. The partition of potential energy is analogous to the classical division of energy due to motion into its kinetic and internal components. Computing background and available potential energies is important for understanding stratified flows. In many numerical simulations, though, the Boussinesq approximations to the Navier-Stokes equations are employed. These approximations are not consistent with conservation of energy. In this thesis we re-derive the governing equations for a buoyancy driven fluid ...


Chme 223: Chemical Engineering Thermodynamics I—A Peer Review Of Teaching Project Benchmark Portfolio, Hossein Noureddini 2013 Department of Chemical Engineering, University of Nebraska-Lincoln

Chme 223: Chemical Engineering Thermodynamics I—A Peer Review Of Teaching Project Benchmark Portfolio, Hossein Noureddini

UNL Faculty Course Portfolios

This portfolio was intended to provide a broad overview of the course. Initially, when I decided to write this portfolio my intention was for it to help me in the student's outcome assessment of teaching for the course and in a broader scope, for my department's effort in establishing a systematic student outcome assessment process. However, as I became more familiar with the program I realized other aspects of the course could also benefit from this portfolio. My goal for this portfolio is to be broad with emphasis on course objectives, delivery methods and their assessment. I like ...


Solution-Based Synthesis Of Gete Octahedra At Low Temperature, Stephen Schulz, Stefan Heimann, Kevin Kaiser, Oleg Prymak, Wilifried Assenmacher, Jorg Thomas Bruggemann, Bert Mallick, Anja V. Mudring 2013 University of Duisburg-Essen

Solution-Based Synthesis Of Gete Octahedra At Low Temperature, Stephen Schulz, Stefan Heimann, Kevin Kaiser, Oleg Prymak, Wilifried Assenmacher, Jorg Thomas Bruggemann, Bert Mallick, Anja V. Mudring

Materials Science and Engineering Publications

GeTe octahedra were prepared by reaction of equimolar amounts of GeCl2·dioxane and Te(SiEt3)2 in oleylamine, whereas a slight excess of the Te precursor yielded GeTe octahedra decorated with elemental Te nanowires, which can be removed by washing with TOP. The mechanism of the GeTe formation is strongly influenced by the solvent. The expected elimination of Et3SiCl (dehalosilylation) only occurred in aprotic solvents, whereas Te(SiEt3)2 was found to react with primary and secondary amines with formation of silylamines. Temperature-dependent studies on the reaction in oleylamine showed that crystalline GeTe particles are ...


Tannic Acid Coated Gold Nanorods Demonstrate A Distinctive Form Of Endosomal Uptake And Unique Distribution Within Cells, Emily A. Untener, Kristen K. Comfort, Elizabeth I. Maurer, Christin M. Grabinski, Donald A. Comfort, Saber M. Hussain 2013 Air Force Research Laboratory

Tannic Acid Coated Gold Nanorods Demonstrate A Distinctive Form Of Endosomal Uptake And Unique Distribution Within Cells, Emily A. Untener, Kristen K. Comfort, Elizabeth I. Maurer, Christin M. Grabinski, Donald A. Comfort, Saber M. Hussain

Chemical and Materials Engineering Faculty Publications

One of the primary challenges associated with nanoparticle-dependent biological applications is that endosomal entrapment in a physiological environment severely limits the desired targeting and functionality of the nanoconstructs. This study sought to overcome that challenge through a systematic approach of gold nanorod (GNR) functionalization: evaluating the influence of both aspect ratio and surface chemistry on targeted cellular internalization rates and preservation of particle integrity. Owing to their unique spectral properties and enhanced surface area, GNRs possess great potential for the advancement of nanobased delivery and imaging applications. However, their ability for efficient intracellular delivery while maintaining their specific physiochemical parameters ...


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