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Articles 1 - 30 of 367
Full-Text Articles in Chemical Engineering
Effect Of Sparger Design On Hydrodynamics Of A Gas Recirculation Anaerobic Bioreactor, Rajneesh Varma, Muthanna H. Al-Dahhan
Effect Of Sparger Design On Hydrodynamics Of A Gas Recirculation Anaerobic Bioreactor, Rajneesh Varma, Muthanna H. Al-Dahhan
Chemical and Biochemical Engineering Faculty Research & Creative Works
The Effects of Sparger Design and Gas Flow Rate On, Gas Holdup Distribution and Liquid (Slurry) Recirculation Velocity Have Been Studied in a Surrogate Anaerobic Bioreactor Used for Treating Bovine Waste with a Conical Bottom Mixed by Gas Recirculation. a Single Orifice Sparger (SOS) and a Multi-Orifice Ring Sparger (MORS) with the Same Orifice Open Area and Gas Flow Rates (Hence the Same Process Power Input) Are Compared in This Study. the Advanced Non-Invasive Techniques of Computer Automated Tomography (CT) and Computer Automated Radioactive Particle Tracking (CARPT) Were Employed to Determine Gas Holdup, Liquid Recirculation Velocity, and the Poorly Mixed …
An Experimental And Numerical Study Of The Film Casting Process, Kenneth Aniunoh
An Experimental And Numerical Study Of The Film Casting Process, Kenneth Aniunoh
All Dissertations
Film casting is a common industrial process used to produce polymeric films. During film casting, a polymer melt is extruded through a flat die before rapid cooling on a chill roll. The chill roll velocity is faster than the velocity at which the melt exits the die, thus the polymer melt is stretched and oriented in an extensional flow. The material properties and processing conditions have a significant impact on the process and the final thermal/mechanical properties of the film produced.
Optimization of industrial scale film casting processes is still greatly dependent on trial and error methods. Therefore, this work …
Effect Of Carbon Nanofibers On Microstructure And Properties Of Polymer Nanocomposites, Sungho Lee
Effect Of Carbon Nanofibers On Microstructure And Properties Of Polymer Nanocomposites, Sungho Lee
All Dissertations
Nano-modifiers are typically three orders of magnitude smaller in size than their micro-counterparts. At this scale, interactions between matrix molecules and the nano-modifiers can lead to novel physical and chemical properties of the resulting nanocomposites. Carbon nanofibers (CNFs) are a class of nano-modifiers that has received significant attention recently because they have superior electrical conductivity and mechanical properties with a high aspect ratio (length over diameter). Several recent research studies have focused on enhancing electrical and mechanical performance of composites in the presence of CNFs. However, the influence of CNFs on the structure of the polymer matrix is important in …
Numerical Simulation Of Gas-Solid Dynamics In A Circulating Fluidized-Bed Riser With Geldart Group B Particles, S. Vaishali, Shantanu Roy, Satish Bhusarapu, M. (Muthanna) H. Al-Dahhan, M. P. Dudukovic
Numerical Simulation Of Gas-Solid Dynamics In A Circulating Fluidized-Bed Riser With Geldart Group B Particles, S. Vaishali, Shantanu Roy, Satish Bhusarapu, M. (Muthanna) H. Al-Dahhan, M. P. Dudukovic
Chemical and Biochemical Engineering Faculty Research & Creative Works
Circulating Fluidized-Bed (CFB) Risers with Geldart Group B Particles Have Found Significant Application in Combustion Reactions. the Present Work Attempts to Study the Solids Flow Dynamics in a CFB Riser that is Operated with Group B Particles, using Computational Fluid Dynamics (CFD) Techniques. the Key Feature in the Present Study is that the Various Closure Schemes in the CFD Model Have Been Evaluated Against Data from Non-Invasive Experimental Techniques: Computer Automated Radioactive Particle Tracking (CARPT) for Solids Velocity Field and Computed Tomography (CT) for Solids Holdup. Since Solids Flow in a Riser is Multiscale in Character, in Addition to the …
Elastic Breakup In Uniaxial Extension Of Entangled Polymer Melts, Yangyang Wang, Pouyan Boukany, Shi-Qing Wang, Xiaorong Wang
Elastic Breakup In Uniaxial Extension Of Entangled Polymer Melts, Yangyang Wang, Pouyan Boukany, Shi-Qing Wang, Xiaorong Wang
College of Polymer Science and Polymer Engineering
Five entangled melts, with the number of entanglements per chain ranging from 25 to 160, have been studied to illustrate how cohesive strength can be overcome in either continuous or interrupted extension (i.e., during or after uniaxial stretching). The internal elastic stress due to chain deformation from imposed strain appears to be the cause of the observed yielding behavior that reveals scaling laws. The visual signature of the elastic breakup is the occurrence of nonuniform extension. The yield phenomena may be understood at a force level.
A Bubble-Powered Micro-Rotor: Conception, Manufacturing, Assembly And Characterization, Jonathan Kao, Xiaolin Wang, John Warren, Jie Xu, Daniel Attinger
A Bubble-Powered Micro-Rotor: Conception, Manufacturing, Assembly And Characterization, Jonathan Kao, Xiaolin Wang, John Warren, Jie Xu, Daniel Attinger
Daniel Attinger
A steady fluid flow, called microstreaming, can be generated in the vicinity of a micro-bubble excited by ultrasound. In this paper, we use this phenomenon to assemble and power a microfabricated rotor at rotation speeds as high as 625 rpm. The extractible power is estimated to be of the order of a few femtowatts. A first series of experiments with uncontrolled rotor shapes is presented, demonstrating the possibility of this novel actuation scheme. A second series of experiments with 65 µm rotors micromanufactured in SU-8 resin is then presented. Variables controlling the rotation speed and rotor stability are investigated, such …
The Tri-Frame Model, Elsje Pienaar, Hendrik J. Viljoen
The Tri-Frame Model, Elsje Pienaar, Hendrik J. Viljoen
Hendrik J. Viljoen Publications
The tri-frame model gives mathematical expression to the transcription and translation processes, and considers all three reading frames. RNA polymerases transcribe DNA in single nucleotide increments, but ribosomes translate mRNA in pairings of three (triplets or codons). The set of triplets in the mRNA, starting with the initiation codon (usually AUG) defines the open reading frame (ORF). Since ribosomes do not always translocate three nucleotide positions, two additional reading frames are accessible. The -1RF and the +1RF are triplet pairings of the mRNA which are accessed by shifting one nucleotide position in the 5’ and 3’ directions respectively. Transcription is …
Biohydrogen Production By The Hyperthermophilic Bacterium Thermotoga Neapolitana, Xiaohui Yu
Biohydrogen Production By The Hyperthermophilic Bacterium Thermotoga Neapolitana, Xiaohui Yu
All Dissertations
ABSTRACT Thermotoga neapolitana can use different sources of carbon and nitrogen for growth and produces biological hydrogen. Sources of carbon (glucose, sucrose, xylose, xylan, cellulose, cellobiose, starch, corn starch, beet bulp pellet, and rice flour) and nitrogen (yeast extract, fish meal, cottonseed meal, canola meal, linseed meal, and soybean meal) were compared. In the carbon studies, glucose, sucrose, rice flour, and xylan produced similar levels of hydrogen. In the nitrogen studies, Trypticase combined with alternative nitrogen sources can efficiently increases the yield of hydrogen produced by Thermotoga neapolitana. Yeast extract with trypticase as the dual nitrogen sources produced significantly increased …
Technical Evaluation Of Hardwood Biorefinery Using The "Near-Neutral" Hemicellulose Extraction Process, Haibo Mao
Electronic Theses and Dissertations
A technical analysis was performed for a new process that produces ethanol and acetic acid from hardwood in addition to bleached hardwood Kraft pulp. The new process, termed the "near neutral" hemicellulose extraction process, involves the extraction of wood hemicellulose using green liquor prior to conventional Kraft pulping. This thesis assumes that the new process is located at an existing kraft pulp mill. Ancillary unit operations in the process include hydrolysis of the extracted carbohydrates using sulfuric acid, filtration of the extract to remove lignin that was extracted with the carbohydrates, liquid-liquid extraction of acetic acid and by-product furfural, liming …
Methods For The Self-Consistent Determination Of Thermophysical Properties From Two-Phase Molecular Dynamics Simulations, Jared T. Fern
Methods For The Self-Consistent Determination Of Thermophysical Properties From Two-Phase Molecular Dynamics Simulations, Jared T. Fern
Doctoral Dissertations
There are many tools available to measure the thermophysical properties of compounds. Experimental measurements have been evolving for many years and are very accurate at determining the properties of most compounds. However, many of the measurements are unreliable when the compound of interest is thermally unstable.
Throughout the years molecular simulation techniques have been developed to understand the thermophysical properties of thermally unstable compounds. There are primarily two methods to study Vapor-Liquid Equilibrium by molecular simulation Gibbs Ensemble Monte Carlo and Molecular Dynamics. MD is a technique that allows one to simulate the vapor and the liquid in the same …
Using Science, Engineering, And Education To Address Water Supply Challenges In The Highlands Of Guatemala, Andrew Curtis Elmore, William Fahrenholtz
Using Science, Engineering, And Education To Address Water Supply Challenges In The Highlands Of Guatemala, Andrew Curtis Elmore, William Fahrenholtz
Materials Science and Engineering Faculty Research & Creative Works
The Guatemalan Highlands is a Popular Destination for Non-Government Organizations Interested in Performing Relief Projects. U.S.-Based Organizations Such as Rotary International, Engineers Without Borders, and Various Religious Organizations Travel to Guatemala to Conduct Humanitarian Activities Which May Be Effective for the Short Term, But It is Not Clear that the Efforts Have a Systematic Impact. Students and Faculty at the University of Missouri-Rolla Have Systematically Studied Water Supply Issues Including Undergraduate and Graduate Research Projects and Undergraduate Engineering Courses Such as International Capstone Design. Materials Engineers Have Been Involved in the Study of Ceramic-Based Water Treatment Devices. These Microfilters Have …
Two-Phase Hydraulics State Identification Using Linear And Non-Linear Time Series Analysis: Distillation Column Flooding Sensor, Alok Maheshbhai Patel
Two-Phase Hydraulics State Identification Using Linear And Non-Linear Time Series Analysis: Distillation Column Flooding Sensor, Alok Maheshbhai Patel
Masters Theses
A novel sensor to detect and predict hydraulic flooding in the distillation column was developed in this research. High speed (1000 Hz) differential pressure data sets were collected across distillation trays. The distillation column at University of Tennessee, Knoxville (UTK) was the main research and demonstration site. The UTK column is 9 inches inside diameter, has 4 trays each of a different type not counting the reboiler. Many data sets were collected synchronously across the top tray (sieve tray) and across the next tray (bubble cap) from the top. Flooding always occurred on the sieve tray. To prove the application …
A Generalized Hamiltonian-Based Algorithm For Rigorous Nonequilibrium Molecular Dynamics Simulation In The Nvt Ensemble, Joseph Gerald Leo Rajkumar
A Generalized Hamiltonian-Based Algorithm For Rigorous Nonequilibrium Molecular Dynamics Simulation In The Nvt Ensemble, Joseph Gerald Leo Rajkumar
Masters Theses
Using a recently developed, methodical, Hamiltonian-based procedure, we derive rigorous algorithms for nonequilibrium molecular dynamic (NEMD) simulation in the NVE and NVT ensembles. We demonstrate that the equivalence of the kinetic temperature and configurational temperatures that exists at equilibrium is maintained in nonequilibrium states, given the proper nonequilibrium expression (in the microcanonical ensemble). Specifically, we apply the procedure to the p-SLLOD algorithm, which allows for rigorous NEMD simulation in the presence of an arbitrary, externally imposed flow field. The resulting algorithms are general in that they apply in the presence or absence of external fields in addition to the imposed …
Electrochemical Oxidization Of Herring Sperm Dna And Its Interaction With Histone, Juan Xu, Gui-Ping Huang, Hong Li, Wei Zhu
Electrochemical Oxidization Of Herring Sperm Dna And Its Interaction With Histone, Juan Xu, Gui-Ping Huang, Hong Li, Wei Zhu
Journal of Electrochemistry
The voltammetric behavior of herring sperm DNA at glassy carbon electrode and its interaction with histone have been investigated by using cyclic voltammetry,differential pulse voltammetry,and fluorescence measurement.In the potential range of 0.20 V to 1.25 V,it is found that an irreversible oxidative peak is exhibited in acid solution,but in the neutral or alkaline solution two oxidative peaks are observed.Oxidative peak potential values show a negative shift with increasing pH via a slope of-57 mV·pH-1 and a linear relation with DNA concentration in the range of 0.45 to 8.20 mmol·L-1.In the presence of histone,the oxidative peak current of DNA and the …
Eiectro-Oxidation Of Methanol On Pdnio/C Catalyst In Alkaline Medium, Mei-Li Wang, Lin Sang, Cheng-De Huang
Eiectro-Oxidation Of Methanol On Pdnio/C Catalyst In Alkaline Medium, Mei-Li Wang, Lin Sang, Cheng-De Huang
Journal of Electrochemistry
The electro-oxidation of methanol in alkaline electrolyte at in-house synthesized PdNiO/C and Pd/C catalysts and the effect of heat treatment on the structure and performance of catalysts were studied by cyclic voltammetry,chronoamperometry,chronopotentiometry and X-ray diffraction methods.It is shown that when the reduction temperature is 70℃ and the ratio between Pd and Ni is 8∶2,The PdNiO/C catalyst presents a highest activity for methanol electrooxidation.Calcining can increase the particle size and crystallinity of catalysts,but decrease the dispersion and activity of catalysts, too.Besides,the NiO is disengaged from Pd lattice by heat-treatment.The optimal PdNiO/C catalyst shows higher catalytic activity and much better poisoning resistance …
Selection Of Additions In The Process Of Electrochemical Synthesizing Of K_2feo_4, Wei-Hua Yang, Dong-Qin Bi, Yan Zhou, Hong-Hui Wang, Xin-Ren Lan
Selection Of Additions In The Process Of Electrochemical Synthesizing Of K_2feo_4, Wei-Hua Yang, Dong-Qin Bi, Yan Zhou, Hong-Hui Wang, Xin-Ren Lan
Journal of Electrochemistry
Some of different additions including KIO4 was added to the anodic electrolyte for electrochemical synthesizing of K2FeO4,the effects of these additions on current yield were investigated.XRD and SEM were used to characterize the structure and image of K2FeO4.The results show that KIO4 is a preferable addition.When the mass dosage of KIO4 is 0.02%,electrolysis time is 1 h,the current yield is enhanced by 31.6% and the corresponding purity of the product is improved by 3.85 %.
Ion-Implanting Modification Of Layered Manganese Dioxide And Its Electrochemical Performance, He-Ning Huang, Dong-Ping Lv, Xing-Kang Huang, Qi-Wei Zhang, Yong Yang
Ion-Implanting Modification Of Layered Manganese Dioxide And Its Electrochemical Performance, He-Ning Huang, Dong-Ping Lv, Xing-Kang Huang, Qi-Wei Zhang, Yong Yang
Journal of Electrochemistry
Layered MnO2(δ-MnO2) was prepared by thermal decomposition of potassium permanganate.Ti was ion-implanted into such δ-MnO2 by physical techniques,forming a composite(δ-MnO2-Ti).These materials were characterized by XRD,SEM,XPS techniques and their electrochemical proprieties were investigated.The results showed that the layered structure of δ-MnO2 did not been destroyed after Ti ion implantation,and the implanted Ti element was mainly Ti4+ as indicated by XPS.Both of the first and the highest discharge specific capacities of the ion-implanted layered MnO2(δ-MnO2-Ti),compared to those of δ-MnO2,were improved significantly.
Relaxation Time, Diffusion, And Viscosity Analysis Of Model Asphalt Systems Using Molecular Simulation, Liqun Zhang, Michael L. Greenfield
Relaxation Time, Diffusion, And Viscosity Analysis Of Model Asphalt Systems Using Molecular Simulation, Liqun Zhang, Michael L. Greenfield
Chemical Engineering Faculty Publications
Molecular dynamics simulation was used to calculate rotational relaxation time, diffusion coefficient, and zero-shear viscosity for a pure aromatic compound naphthalene and for aromatic and aliphatic components in model asphalt systems over a temperature range of 298–443 K. The model asphalt systems were chosen previously to represent real asphalt. Green–Kubo and Einstein methods were used to estimate viscosity at high temperature 443.15 K. Rotational relaxation times were calculated by nonlinear regression of orientation correlation functions to a modified Kohlrausch–Williams–Watts function. The Vogel–Fulcher–Tammann equation was used to analyze the temperature dependences of relaxation time, viscosity, and diffusion coefficient. The temperature dependences …
Transient Molecular Dynamics Simulations Of Viscosity For Simple Fluids, Richard L. Rowley, Jason C. Thomas
Transient Molecular Dynamics Simulations Of Viscosity For Simple Fluids, Richard L. Rowley, Jason C. Thomas
Faculty Publications
A transient molecular dynamics (TMD) method has been developed for simulation of fluid viscosity. In this method a sinusoidal velocity profile is instantaneously overlaid onto equilibrated molecular velocities, and the subsequent decay of that velocity profile is observed. The viscosity is obtained by matching in a least-squares sense the analytical solution of the corresponding momentum transport boundary-value problem to the simulated decay of the initial velocity profile. The method was benchmarked by comparing results obtained from the TMD method for a Lennard-Jones fluid with those previously obtained using equilibrium molecular dynamics (EMD) simulations. Two different constitutive models were used in …
Trajectory Shaping Of Surface-To-Surface Missile With Terminal Impact Angle Constraint, S. Subchan
Trajectory Shaping Of Surface-To-Surface Missile With Terminal Impact Angle Constraint, S. Subchan
Makara Journal of Technology
This paper presents trajectory shaping of a surface-to-surface missile attacking a fixed with terminal impact angle constraint. The missile must hit the target from above, subject to the missile dynamics and path constraints. The problem is reinterpreted using optimal control theory resulting in the formulation of minimum integrated altitude. The formulation entails nonlinear, two-dimensional missile flight dynamics, boundary conditions and path constraints. The generic shape of optimal trajectory is: level flight, climbing, diving; this combination of the three flight phases is called the bunt manoeuvre. The numerical solution of optimal control problem is solved by a direct collocation method. The …
Analysis Of Three Phase Controlled Rectifier With The Same Distance Control As Compared To The Same Angle Control, Sudirman S., Sri Kurniati A.
Analysis Of Three Phase Controlled Rectifier With The Same Distance Control As Compared To The Same Angle Control, Sudirman S., Sri Kurniati A.
Makara Journal of Technology
Analysis of three phase controlled rectifier with the same distance control as compared to the same angle control. This research aim to compare the firing of the same distance and the same angle control at three phase controlled rectifier with seen generated harmonic at input (AC side). Then calculate of rectifier efficiency and power factor comparison from both the control type. The rectifier use passive filter with resistance 11 ohm and is analysed with program simulation using PSPICE version 7.1. Result of research indicate that use of the same distance control generates the 5th and 7th harmonics, while the same …
The Use Of Red Cabbage’S Anthocyanine Extract As A Photosensitizer On A Dye-Sensitized Nanocrystalline Tio2 Solar Cell, Akhiruddin Maddu, Mahfuddin Zuhri, Irmansyah Irmansyah
The Use Of Red Cabbage’S Anthocyanine Extract As A Photosensitizer On A Dye-Sensitized Nanocrystalline Tio2 Solar Cell, Akhiruddin Maddu, Mahfuddin Zuhri, Irmansyah Irmansyah
Makara Journal of Technology
The use of Red Cabbage’s anthocyanine extract as a photosensitizer on a Dye-Sensitized Nanocrystalline TiO2 Solar Cell. A solid-state dye-sensitized nanocrystalline TiO2 solar cell utilizing anthocyanin extract form red cabbage as photosensitizer was fabricated. The solar cell was formed in sandwich structure, which two electrodes sandwiching polymer electrolyte containing a redox couple (I-/I3 -). One of the electrodes, namely working electrode, TiO2 layer on TCO (transparent conducting oxide) coated glass substrate was sensitized with anthocyanin dye as electron donor in the system. Another electrode was a carbon sheet as a counter electrode. Gel electrolyte based on PEG (polyethylene glycol) containing …
Effect Of Contact Time On Interface Reaction Between Aluminum Silicon (7% And 11%) Alloy And Steel Dies Skd 61, Bambang Suharno, Neni Octapiani Nurhayati, Bustanul Arifin, Sri Harjanto
Effect Of Contact Time On Interface Reaction Between Aluminum Silicon (7% And 11%) Alloy And Steel Dies Skd 61, Bambang Suharno, Neni Octapiani Nurhayati, Bustanul Arifin, Sri Harjanto
Makara Journal of Technology
Effect of Contact Time on Interface Reaction between Aluminum Silicon (7% and 11%) Alloy and Steel Dies SKD 61. Die soldering (die sticking) is a defect of metal casting in which molten metal “welds” to the metallic die mold surface during casting process. Die soldering is the result of an interface reaction between the molten aluminum and the die material. Aluminum alloy with 7 and 11% silicon and SKD 61 die steel are the most common melt and die material used in aluminum die casting. This research is done to study the morphology and the characteristics of the formed AlxFeySiz …
Co2 Absorption From Its Mixture With Ch4 Or N2 Through Hollow Fiber Membrane Contactor Using Water As Solvent, Sutrasno Kartohardjono, Anggara Anggara, Subihi Subihi, Yuliusman Yuliusman
Co2 Absorption From Its Mixture With Ch4 Or N2 Through Hollow Fiber Membrane Contactor Using Water As Solvent, Sutrasno Kartohardjono, Anggara Anggara, Subihi Subihi, Yuliusman Yuliusman
Makara Journal of Technology
CO2 Absorption from Its Mixture with CH4 or N2 through Hollow Fiber Membrane Contactor using Water as Solvent. Hollow fiber membrane contactors have been widely used as gas-liquid contactors recently such as in the CO2 absorption process from gas stream. This research aims to evaluate the effectiveness of hollow fiber membrane contactor to absorb CO2 from its mixture with CH4 or N2 using water through mass transfer and hydrodynamic tests. There are 3 membrane modules used in this research with shell diameter of 1.9 cm, length of 40 cm, outer fiber diameter of 2.7 mm and fiber number in the …
Reverse Link Cdma System Capacity Evaluation For Stratospheric Platform Mobile Communications, Iskandar Iskandar
Reverse Link Cdma System Capacity Evaluation For Stratospheric Platform Mobile Communications, Iskandar Iskandar
Makara Journal of Technology
We propose an analysis of reverse link CDMA multispot beam stratospheric platforms (SPF) in this paper. The SPF is currently proposed as a novel wireless technology for the development of the next generation fixed and mobile communications. The geometry of this technology is different from that of the terrestrial but rather similar to the satellite based cellular system. However, evaluation on the CDMA system capacity of this technology has not been much reported. This paper addresses all possible multiple access interference analyses including the effects of channel fading and shadowing in order to evaluate the system capacity. Single SPF and …
The Potency Of Fire And Explosion Hazard On Premium Oil Storage Tank At Depot X 2007, Fatma Lestari, Warid Nurdiansyah
The Potency Of Fire And Explosion Hazard On Premium Oil Storage Tank At Depot X 2007, Fatma Lestari, Warid Nurdiansyah
Makara Journal of Technology
The Potency of Fire and Explosion Hazard on Premium Oil Storage Tank at Depot X 2007. Premium oil storage tanks have fire and explosion risk because Premium oil is flammable liquid. Because of that, fire and explosion risk assessment on Premium oil storage tank at Depot X is needed as foundation to fire and explosion risk management, and comply with regulations. Method of this research is Dow’s Fire and Explosion Index. This research indicate that F&EI value for Premium oil storage tank is 118,82. Based on that F&EI value, level of risk at Premium oil storage tank is intermediate risk.
Limiting Maximum Drag Reduction Asymptote For The Moment Coefficient Of An Enclosed Rotating Disk With Fine Spiral Grooves, Budiarso Budiarso, Keizo Watanabe, Satoshi Ogata
Limiting Maximum Drag Reduction Asymptote For The Moment Coefficient Of An Enclosed Rotating Disk With Fine Spiral Grooves, Budiarso Budiarso, Keizo Watanabe, Satoshi Ogata
Makara Journal of Technology
In this study, the limiting maximum drag reduction asymptote for the moment coefficient of an enclosed rotating disk with fine spiral grooves in turbulent flow region were obtained analytically. Analysis which were based on an assumption for a simple parabolic velocity distribution of turbulent pipe flow to represent relative tangential velocity, was carried out using momentum integral equations of the boundary layer. For a certain K- parameter the moment coefficient results agree well with experimental results for maximum drag reduction in an enclosed rotating disk with fine spiral grooves and drag reduction ratio approximately was 15 %. Additionally, the experimental …
Absorbing Boundary Conditions For Molecular Dynamics And Multiscale Modeling, David J. Keffer, S. Namilae, D. M. Nicholson, P.K. V.V. Nukala, C. Y. Gao, Y. N. Osetsky
Absorbing Boundary Conditions For Molecular Dynamics And Multiscale Modeling, David J. Keffer, S. Namilae, D. M. Nicholson, P.K. V.V. Nukala, C. Y. Gao, Y. N. Osetsky
Faculty Publications and Other Works -- Chemical and Biomolecular Engineering
We present an application of differential equation based local absorbing boundary conditions to molecular dynamics. The absorbing boundary conditions result in the absorbtion of the majority of waves incident perpendicular to the bounding surface. We demonstrate that boundary conditions developed for the wave equation can be applied to molecular dynamics. Comparisons with damping material boundary conditions are discussed. The concept is extended to the formulation of an atomistic-continuum multiscale scheme with handshaking between the regions based on absorbing boundary conditions. The multiscale model is effective in minimizing spurious reflections at the interface.
Signaling Pathways Activated By Interleukin-2 And Interluekin-4 Receptors Mediate T Lymphocyte Clonal Expansion, Kristen K. Comfort
Signaling Pathways Activated By Interleukin-2 And Interluekin-4 Receptors Mediate T Lymphocyte Clonal Expansion, Kristen K. Comfort
Chemical and Materials Engineering Faculty Publications
Cells sense and respond to chemical and physical stimuli through signal transduction pathways, which mediate cell proliferation, differentiation, migration, and survival. The cytokines interleukin-2 (IL-2) and interleukin-4 (IL-4) are key regulators of the adaptive immune system, particularly influencing the clonal expansion and differentiation of T cells. At least in culture, both synergistic and antagonistic effects of IL-2 and IL-4 co-stimulation have been reported; the antagonism, when observed, is thought to arise from the utilization of a common subunit shared by IL-2 and IL-4 receptors. We have sought to characterize IL-2 and IL-4 signaling at the level of intracellular pathways activated …
Ribosome Kinetics And Aa-Trna Competition Determine Rate And Fidelity Of Peptide Synthesis, Aaron Fluitt, Elsje Pienaar, Hendrik J. Viljoen
Ribosome Kinetics And Aa-Trna Competition Determine Rate And Fidelity Of Peptide Synthesis, Aaron Fluitt, Elsje Pienaar, Hendrik J. Viljoen
Hendrik J. Viljoen Publications
It is generally accepted that the translation rate depends on the availability of cognate aa-tRNAs. In this study it is shown that the key factor that determines translation rate is the competition between near-cognate and cognate aa-tRNAs. The transport mechanism in the cytoplasm is diffusion, thus the competition between cognate, near-cognate and non-cognate aa-tRNAs to bind to the ribosome is a stochastic process. Two competition measures are introduced; C (i) and R (i) (i = 1, 64) are quotients of the arrival frequencies of near-cognates vs. cognates and noncognates vs. cognates, respectively. Furthermore, the reaction …