Protein Aggregation At Solid/Liquid Interfaces: A Monte Carlo Study With Explicit And Implicit Solvent Effects,
2013
Missouri University of Science and Technology
Protein Aggregation At Solid/Liquid Interfaces: A Monte Carlo Study With Explicit And Implicit Solvent Effects, Rehman Fazeem
Masters Theses
"Metropolis Monte Carlo (MC) simulations were performed with positively charged peptides in aqueous solution to study changes in peptide conformations at solid/liquid interface, and its effects on protein aggregation. Intermediate-resolution diblock model peptide, comprising of 10 units of ALA (non-polar) and LYS (polar) amino acid residues, was used for the simulations. In the first approach to modeling, solvent effects were considered explicitly. The explicit model was then used to study two peptide molecules, in helical structure, at solid/liquid interface. In order to increase the number of peptide molecules in the simulation box, with reduced computational cost, an implicit solvent model …
Characterization Of Macromolecular Structure Of Pyrolysis Products From A Colorado Green River Oil Shale,
2013
Brigham Young University - Provo
Characterization Of Macromolecular Structure Of Pyrolysis Products From A Colorado Green River Oil Shale, James L. Hillier, Thomas H. Fletcher, Mark S. Solum, Ronald J. Pugmire
Faculty Publications
Volatile products from an oil shale from the Colorado Green River formation were studied by several methods. The oil shale was demineralized, and the resulting kerogen was also chemically analyzed. Both the oil shale and the demineralized kerogen were pyrolyzed at 10 K/min, and the pyrolysis products (light gas, tar, and char) were analyzed using 13C NMR, XPS, GC/MS, and FTIR. Low temperature ashing was performed in order to compare pyrolysis yields of oil shale and demineralized kerogen on a dry ash-free basis. Volatile yields of approximately 75% were achieved in an oil shale retort and 79% in the kerogen …
Ultrasound For Improved Crystallisation In Food Processing,
2013
Technological University Dublin
Ultrasound For Improved Crystallisation In Food Processing, N. Misra, Navneet Deora, Brijesh Tiwari, Patrick J. Cullen
Articles
Within the food industry, controlling crystallisation is a key factor governing food structure, texture and consumer appeal, with some foods requiring the promotion of crystallisation in a controlled manner (e.g. chocolate) and others a check (e.g. in honey). Sonocrystallisation is the application of ultrasound energy to control the nucleation of a crystallisation process. The use of power ultrasound provides a non-invasive approach to producing crystals with desired properties. Sonocrystallisation facilitates process control, primarily by modulating crystal size distribution and morphology. This paper details the governing mechanisms of sonocrystallisation. Proven and potential applications of the process in foods, including chocolates, honey, …
Human And Organisational Factors As A Risk Management Strategy In An Aviation Maintenance Company,
2013
Trinity College Dublin, Ireland
Human And Organisational Factors As A Risk Management Strategy In An Aviation Maintenance Company, Samuel Cromie, Paul Liston, Derek Ross, Siobhan Corrigan, Lindita Vani, Dara Lynch, Solonas Demosthenous, Maria Chiara Leva, Alison Kay, Vangelis Demosthenous
Articles
Aviation has for many years been one of the leading industries in addressing human and organisational factors (HOF) within its different sectors – flight operations, air traffic control, ground operations, maintenance, etc. In particular aviation has led the way in mandating a range of measures that address HOF issues – reporting systems, shift-handover procedures, etc (e.g. UK CAA, 2003). A key element of the regulation has been the mandating of initial and continuation training in HOF for virtually all personnel working in aviation maintenance. By contrast the development of practice and regulation of risk and safety management in aviation has …
Novel Microwave Assisted Synthesis Of Zns Nanomaterials,
2013
Technological University Dublin
Novel Microwave Assisted Synthesis Of Zns Nanomaterials, Suresh Pillai, Michael Seery, Damian Synnott, John Colreavy, Stephen Hinder
Articles
A novel ambient pressure microwave-assisted technique is developed in which silver and indium modified ZnS is synthesised. The as prepared ZnS is characterised by X-ray diffraction, UV-Vis spectroscopy, X-ray photoelectron spectroscopy and luminescence spectroscopy. This procedure produced crystalline materials with particle sizes below 10 nm. The synthesis technique leads to defects in the crystal which induce mid energy levels in the band gap and lead to indoor light photocatalytic activity. Increasing the amount of silver causes a phase transition from cubic blende to hexagonal phase ZnS. In a comparative study, when the ZnS cubic blende is heated in a conventional …
Fe(Iii)2o3 Nanoparticle Mediated Molecular Growth And Soot Particle Inception From The Oxidative Pyrolysis Of 1-Methylnaphthalene,
2013
Louisiana State University and Agricultural and Mechanical College
Fe(Iii)2o3 Nanoparticle Mediated Molecular Growth And Soot Particle Inception From The Oxidative Pyrolysis Of 1-Methylnaphthalene, Michael Paul Herring
LSU Doctoral Dissertations
The potential for Fe(III)2O3 nanoparticles to participate in the molecular growth and particle inception of soot from 1-methylnapthalene (1-MN) was studied in a dual-zone, high-temperature flow reactor. An iron substituted, dendrimer template was oxidized in the Zone 1 reactor to generate ~5nm Fe(III)2O3 nanoparticles, that were continually seeded to a high sooting 1-MN fuel under oxidative pyrolysis conditions. The Fe(III)2O3 nanoparticles could then influence the otherwise gas-phase reactions of 1-MN. Increased PAH formation, soot number density, soot mass yield, and soot radical intensity were observed as a result of Fe(III)2O3 nanoparticle introduction prior to soot inception. Low Temperature Matrix Isolation-Electron …
Catalytic Conversion Of Biomass Derived Syngas To Liquid Fuels Using Fischer-Tropsch Synthesis,
2013
Louisiana State University and Agricultural and Mechanical College
Catalytic Conversion Of Biomass Derived Syngas To Liquid Fuels Using Fischer-Tropsch Synthesis, Pratibha Sharma
LSU Master's Theses
Biomass gasification and subsequent conversion to liquid hydrocarbons using Fischer-Tropsch synthesis is a promising source of energy in today’s scenario when the focus has shifted from conventional fuels to alternate sources of energy. Biomass derived syngas is different from other sources of syngas such as steam reforming of methane followed by water gas shift, in terms of H2/CO ratio. Biomass syngas is usually hydrogen deficient and contains various impurities which need to be removed prior to Fischer-Tropsch Synthesis. Syngas derived from biomass also differs significantly with the different sources of biomass, gasification process and the cleanup conditions it is subjected …
Digital Image-Based Frameworks For Monitoring And Controlling Of Particulate Systems,
2013
Louisiana State University and Agricultural and Mechanical College
Digital Image-Based Frameworks For Monitoring And Controlling Of Particulate Systems, Bing Zhang
LSU Doctoral Dissertations
Particulate processes have been widely involved in various industries and most products in the chemical industry today are manufactured as particulates. Previous research and practise illustrate that the final product quality can be influenced by particle properties such as size and shape which are related to operating conditions. Online characterization of these particles is an important step for maintaining desired product quality in particulate processes. Image-based characterization method for the purpose of monitoring and control particulate processes is very promising and attractive. The development of a digital image-based framework, in the context of this research, can be envisioned in two …
Activity Of Halide-Free Flux At Copper And Tin Surfaces,
2013
Louisiana State University and Agricultural and Mechanical College
Activity Of Halide-Free Flux At Copper And Tin Surfaces, Guoying Qu
LSU Master's Theses
The activity of halogen-free carboxylic acid flux is considered one of the most important aspects in controlling flip chip joint quality recently. In this work, we examined the CuOx removal effectiveness of carboxylic acid solutions at Cu substrates using electrochemical methods at elevated temperatures from 100ºC to 180ºC. Reaction kinetics of CuOx removal were investigated by chronopotentiometry and gravimetric analysis. FTIR was used to study the surface chemistry, and spectrophotometry was used to understand reactant and product solubility. Kinetics of carboxylic acid solution such as adipic acid or maleic acid in polyethylene glycol (PEG) with and without complexing agents such …
Pore-To-Continuum Multiscale Modeling Of Two-Phase Flow In Porous Media,
2013
Louisiana State University and Agricultural and Mechanical College
Pore-To-Continuum Multiscale Modeling Of Two-Phase Flow In Porous Media, Qiang Sheng
LSU Doctoral Dissertations
Abstract Pore-scale network modeling using 3D X-ray computed tomographic images (digital rock technology) has become integral to both research and commercial simulations in recent years. While this technology provides tremendous insight into pore-scale behavior, computational methods for integrating the results into practical, continuum-scale models remain fairly primitive. The general approach is to run pore-scale models and continuum models sequentially, where macroscopic parameters are simulated using the pore-scale models and then used in the continuum models as if they have been obtained from laboratory experiments. While a sequential coupling approach is appealing in some cases, an inability to run the two …
Effect Of Surfactant On Dynamics Of A Droplet Released In A Quiescent Medium,
2013
Louisiana State University and Agricultural and Mechanical College
Effect Of Surfactant On Dynamics Of A Droplet Released In A Quiescent Medium, Abhijit Rao
LSU Master's Theses
During the ‘Deepwater Horizon’ accident, dispersants were used as one of the remediation methods to mitigate the ill effects of oil that entered the water column. The dispersants lower the interfacial tension at the oil-water interface and cause the large oil droplets to disintegrate into finer droplets which remain dispersed in the water column for longer times. A dispersant typically is composed of a surfactant and solvent. Surfactants are chemical compounds which are chiefly responsible for the lowering of interfacial tension at oil water interface. In this study, we have investigated the effect of surfactant on the dynamics of a …
A Feasibility Study Of Multi-Functional Wells For Water Coning Control And Disposal,
2013
Louisiana State University and Agricultural and Mechanical College
A Feasibility Study Of Multi-Functional Wells For Water Coning Control And Disposal, Lu Jin
LSU Doctoral Dissertations
Although water coning is well understood, it is difficult to control in field operations resulting in low recovery and large volumes of waste produced water. A solution - proposed here - is a multi-functional well with the in-situ bottom water drainage and injection installations - Downhole Water Loop (DWL). Theoretically, DWL greatly improves well performance (for example, a two-fold increase of DWL well’s water drainage rate would increase the critical (water-free) oil rate by 80%). However, DWL has practical limitations that must be quantified for actual well design. The objective of this work is to: (1) find maximum water drainage …
Modeling Foam Delivery Mechanisms In Deep Vadose-Zone Remediation Using Method Of Characteristics (Moc),
2013
Louisiana State University and Agricultural and Mechanical College
Modeling Foam Delivery Mechanisms In Deep Vadose-Zone Remediation Using Method Of Characteristics (Moc), Alireza Roostapour
LSU Doctoral Dissertations
This study investigates foam delivery mechanisms in vadose-zone remediation by using Method of Characteristics (MoC). In such applications, dry foams are introduced into a porous medium which is initially at low saturation of water (Sw) containing pollutants such as metals and radionuclides. For vadose-zone remediation processes to be successful, the injected aqueous phase should carry chemicals to react with pollutants and precipitate them for immobilization and stabilization purposes. Typical remediation techniques such as water and surfactant injections are not applicable, because of the concerns about downward migration. As a result, understanding foam flow mechanism in-situ is key to the optimal …
Dynamic Modeling Of Channel Formation During Fluid Injection Into Unconsolidated Sands,
2013
Louisiana State University and Agricultural and Mechanical College
Dynamic Modeling Of Channel Formation During Fluid Injection Into Unconsolidated Sands, Sayamik Ameen
LSU Master's Theses
Water injection is widely used for sweeping hydrocarbons in waterflooding operations, and also for maintaining reservoir pressure or disposing waste water. Injection at a high rate is required to maintain the economy of waterflooding projects; however, loss of injectivity is a quite common problem in unconsolidated sand formations like deep water Gulf of Mexico. Well intervention operations, hurricanes, and other issues require frequent shut-downs during the life of offshore wells; in order to minimize deteriorating effect of these shutdowns on wellbore injectivity more accurate modeling of the injection process is needed. Injection of water into a saturated, granular, porous medium …
The Diagnosis Of Well Control Complications During Managed Pressure Drilling,
2013
Louisiana State University and Agricultural and Mechanical College
The Diagnosis Of Well Control Complications During Managed Pressure Drilling, Brian Piccolo
LSU Master's Theses
The constant bottom-hole pressure method of managed pressure drilling is generally expected to reduce well control risks and apply well understood concepts when a kick is taken. Nevertheless, complications, such as operator error, leaks, plugging, equipment failures, and exceeding kick tolerance, can occur during kick circulation. By not properly interpreting the symptoms of a complication, a driller risks the consequences of additional influx, lost circulation or the simultaneous occurrence of both. To address the challenge of diagnosing complications, the implied pit gain (IPG) method is being evaluated as an enhancement to established industry practices. Traditional diagnostic methods attempt to match …
Analytical Modeling And Diagnosis Of Penetration Rate Performance Of Pdc Bits,
2013
Louisiana State University and Agricultural and Mechanical College
Analytical Modeling And Diagnosis Of Penetration Rate Performance Of Pdc Bits, Reza Rahmani
LSU Doctoral Dissertations
The high cost of drilling deep (15000+ ft) wells, due to slow rate of penetration (ROP) at depth, has severely limited the utilization and economic significance of deep hydrocarbon resources. The overall objective of this study was to obtain a better understanding of the major cause(s) of slow ROP in deep drilling. An analysis of field data demonstrated the impact of the problem and identified shale and limestone as the primary lithologies where slow ROP occurs at depth. Previous researchers have concluded that interactions between rock, drilling fluid, cuttings, and the bit control ROP. More specifically, several researchers have concluded …
Modeling, Simulation And Analysis Of Renewable Energy Production Systems: Application To Multi-Product Biorefineries,
2013
Louisiana State University and Agricultural and Mechanical College
Modeling, Simulation And Analysis Of Renewable Energy Production Systems: Application To Multi-Product Biorefineries, Aryan Geraili Nejadfomeshi
LSU Master's Theses
The primary purpose of this research is to investigate the design and modelling of fully integrated processes which utilize renewable feedstock as raw materials and evaluate the alternative technology and possible process integration options for biorefinery processes to select the optimal configuration based on the production yields and economical profit criteria. The case study considered in this work is a lignocellulosic biorefinery plant which has different technology choices for each section of the process and the ability to produce multi-products from lignocellulosic raw materials. We analyzed different scenarios by simulating the superstructures in Aspen Plus. To incorporate more non-linarites in …
An Experimental And Computational Investigation Of Rotating Flexible Shaft System Dynamics In Rotary Drilling Assemblies For Down Hole Drilling Vibration Mitigation,
2013
Louisiana State University and Agricultural and Mechanical College
An Experimental And Computational Investigation Of Rotating Flexible Shaft System Dynamics In Rotary Drilling Assemblies For Down Hole Drilling Vibration Mitigation, Richard Duff
LSU Doctoral Dissertations
Rotary drilling system vibration has long been associated with damaging the bit, the bottom hole assembly (BHA) and drill string. Vibration has been traditionally measured in the bottom hole assembly, and been closely associated with the resonant behaviors.
This research study proposes an improved physical laboratory model to explore the dynamic behaviors associated with vibration. This model includes contact with the borehole wall allowing a range of stabilization geometries while removing bit-formation interaction effects. The results of exercising the model help develop new insights into both vibration measurement diagnostics and mitigation strategy execution.
Presented here is a review of other …
Aggregation Of Uncontrolled Fluids During Catastrophic System Failures In Offshore Environments,
2013
Louisiana State University and Agricultural and Mechanical College
Aggregation Of Uncontrolled Fluids During Catastrophic System Failures In Offshore Environments, James Thomas Stiernberg
LSU Master's Theses
Safety culture relating to offshore operations has shifted since the Deepwater Horizon blowout and resulting oil spill. This incident has prompted the research of high volume spills during all stages of hydrocarbon exploration and production. This study particularly covers the interactions of wells and offshore networks as they pertain to situations where a release of reservoir fluids to the environment is occurring. Primary concerns of this investigation are stream confluences, leak modeling, and fluid behavior; the first two will be handled with various numerical software packages (OLGA®, CFD, and nodal analyses) while the later will require more rigorous treatment and …
Reaction Of Green Leaf Volatiles As A Source Of Secondary Organic Aerosols In Fog Droplets,
2013
Louisiana State University and Agricultural and Mechanical College
Reaction Of Green Leaf Volatiles As A Source Of Secondary Organic Aerosols In Fog Droplets, Amie Kathryn Hansel
LSU Master's Theses
Green leaf volatiles (GLVs) are a group of biogenic volatile organic compounds (BVOCs) released into the atmosphere by vegetation when plants undergo stress or mechanical damage. BVOCs produce secondary organic aerosol (SOA) in the gas phase; however, their oxidation as a source of SOA in the liquid phase has not been investigated. Once released into the atmosphere, water-soluble GLVs partition into atmospheric water phases such as fog, mist, dew or rain, where they are oxidized by hydroxyl radicals (ÿOH). Photochemical oxidation yields products that are higher in molecular weight, more polar, more oxygenated, and lower in vapor pressure. When the …
