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Displaying Results 1 - 25 of 45 on page 1 of 2
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A comprehensive iso-octane combustion model with improved thermochemistry and chemical kinetics
(2017)
Atef, Nour; Kukkadapu, Goutham; Mohamed, Samah Y.; Al Rashidi, Mariam J.; Al Rashidi, M...
A comprehensive iso-octane combustion model with improved thermochemistry and chemical kinetics
(2017)
Atef, Nour; Kukkadapu, Goutham; Mohamed, Samah Y.; Al Rashidi, Mariam J.; Al Rashidi, Mariam; Banyon, Colin; Mehl, Marco; Heufer, Karl Alexander; Nasir, Ehson F.; Alfazazi, A.; Das, Apurba K.; Westbrook, Charles K.; Pitz, William J.; Lu, Tianfeng; Farooq, Aamir; Sung, Chih-Jen; Curran, Henry J.; Sarathy, S. Mani
Abstract:
Iso-Octane (2,2,4-trimethylpentane) is a primary reference fuel and an important component of gasoline fuels. Moreover, it is a key component used in surrogates to study the ignition and burning characteristics of gasoline fuels. This paper presents an updated chemical kinetic model for iso-octane combustion. Specifically, the thermodynamic data and reaction kinetics of iso-octane have been re-assessed based on new thermodynamic group values and recently evaluated rate coefficients from the literature. The adopted rate coefficients were either experimentally measured or determined by analogy to theoretically calculated values. Furthermore, new alternative isomerization pathways for peroxy-alkyl hydroperoxide (OOQOOH) radicals were added to the reaction mechanism. The updated kinetic model was compared against new ignition delay data measured in rapid compression machines (RCM) and a high-pressure shock tube. These experiments were conducted at pressures of 20 and 40 atm, at equivale...
http://hdl.handle.net/10379/6872
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A Soft Condensed Matter Approach Towards Mathematical Modelling of Mass Transport and Swelling in Food Grains
(2014)
Chapwanya, Michael; Misra, N.
A Soft Condensed Matter Approach Towards Mathematical Modelling of Mass Transport and Swelling in Food Grains
(2014)
Chapwanya, Michael; Misra, N.
Abstract:
Soft condensed matter (SCM) physics has recently gained importance for a large class of engineering materials. The treatment of food materials from a soft matter perspective, however, is only at the surface and is gaining importance for understanding the complex phenomena and structure of foods. In this work, we present a theoretical treatment of navy beans from a SCM perspective to describe the hydration kinetics. We solve the transport equations within a porous matrix and employ the Flory–Huggin’s equation for polymer–solvent mixture to balance the osmotic pressure. The swelling of the legume seed is modelled as a moving boundary with an explicit transient equation. The model exhibits a good agreement with the experimental observations and is capable of explaining the stages of hydration. Sensitivity analysis indicated that the degree of hydration is dependent on the bean size and is also sensitive to the selection of the intrinsic permeability of the bean.
https://arrow.dit.ie/schfsehart/147
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A theoretical thermodynamic investigation of cascade reactions in dinuclear octa-azacryptates involving carbon dioxide
(2011)
English, Niall J.; Mooney, Damian A.
A theoretical thermodynamic investigation of cascade reactions in dinuclear octa-azacryptates involving carbon dioxide
(2011)
English, Niall J.; Mooney, Damian A.
Abstract:
This paper investigates the thermodynamics of gas-phase CO2 cascade uptake-reactions in the form of carbonate or methoxycarbonate anions in the host cavity of various dinuclear octa-azacryptates of m-CH2C6H4CH2 and 2,5-furano-spaced hosts, L1 and L2 cryptands, using density functional theory (DFT). The cascade process involves two stages, namely the formation of dinuclear cryptate complexes and the subsequent formation of either μ-carbonato cryptate complexes or μ-monomethylcarbonato cryptates. The geometric and electronic structures are also investigated to determine the parameters which affect the stability of the complexes. Natural bond orbital (NBO) analysis has been used to investigate the interactions between the trapped anion and its host. The ion selectivity has been studied in terms of the formation of dinuclear crypate complexes, while the basicity and nucleophilicity of cryptands towards Lewis acids have also been studied, and good agreement was found vis-à-vis available ...
http://hdl.handle.net/10197/2877
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A thermodynamically motivated investigation of cell and tissue remodelling
(2019)
McEvoy, Eóin
A thermodynamically motivated investigation of cell and tissue remodelling
(2019)
McEvoy, Eóin
Abstract:
The overall objective of this thesis is to provide a new understanding of the mechanisms that drive cell spreading and remodelling, and to extend this understanding to remodelling at a tissue and organ level. A steady-state adaptation of the thermodynamically motivated stress fibre (SF) model of Vigliotti et al. (2015) is implemented in a non-local finite element setting, where global conservation of cytoskeletal proteins and binding integrins is considered. We present a number of simulations of cell spreading in which we consider a limited subset of the possible deformed spread-states assumed by the cell, to examine the hypothesis that free energy minimization drives the process of cell spreading. Simulations suggest that cell spreading can be viewed as a competition between (i) decreasing cytoskeletal free energy due to strain induced assembly of cytoskeletal proteins into contractile SFs, and (ii) increasing elastic free energy due to stretching of the mechanically passive compon...
http://hdl.handle.net/10379/14844
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An experimental study of hydroxylbastnasite solubility in aqueous solutions at 25 ?C
(2016)
Rodriguez-Blanco, Juan
An experimental study of hydroxylbastnasite solubility in aqueous solutions at 25 ?C
(2016)
Rodriguez-Blanco, Juan
Abstract:
doi: https://doi.org/10.1016/j.chemgeo.2016.03.012
The mobility of rare earth elements (REEs) in natural aqueous solutions is of increasing interest due to their application in numerous high-tech and renewable energy technologies (e.g., wind turbines and electric vehicles), as well as their role as tracers in the Earth Sciences. Basic thermodynamic data for water?rock interactions are, however, sparse and partially inconsistent, even for carbonate minerals of the bastnasite group (REE(CO3)(OH,F)), which currently represent the most exploited REE ore. Towards the improved quantification of the REE in natural and industrial systems, pure hexagonal hydroxylbastnasite and orthorhombic kozoite (REE(CO3)(OH)) were synthesized at hydrothermal conditions and subsequently used as starting material for aqueous dissolution and precipitation experiments. All closed system experiments were performed in air equilibrated aqueous fluids. Reaction progress was followed by measuring pH and REE co...
http://hdl.handle.net/2262/89831
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Anodic Formation of Nanoporous Indium Phosphide in KOH Electrolytes: Effects of Temperature and Concentration
(2019)
Quill, Nathan; Buckley, D. Noel; O'Dwyer, Colm; Lynch, Robert P.
Anodic Formation of Nanoporous Indium Phosphide in KOH Electrolytes: Effects of Temperature and Concentration
(2019)
Quill, Nathan; Buckley, D. Noel; O'Dwyer, Colm; Lynch, Robert P.
Abstract:
Anodization of n-InP electrodes was carried out over a range of temperatures and KOH concentrations. Scanning electron microscopy showed <111>A aligned pore growth with pore width decreasing as the temperature was increased. This variation is explained in terms of the relative rates of electrochemical reaction and hole diffusion and supports the three-step model proposed earlier. As temperature is increased, both the areal density and width of surface pits decrease resulting in a large increase in the current density through the pits. This explains an observed decrease in porous layer thickness: pits sustain mass transport at the necessary rate for a shorter time before precipitation of etch products blocks the pores. As the concentration of KOH is increased, both pore width and layer thickness decrease to minima at ∼9 mol dm−3 after which they again increase. This variation of pore width is also explained by the three-step model and the variation in layer thickness is explain...
http://hdl.handle.net/10468/7341
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Applied Energy Systems - Rudimentary Thermodynamics
(2014)
McGovern, Jim
Applied Energy Systems - Rudimentary Thermodynamics
(2014)
McGovern, Jim
Abstract:
This is a compact textbook for a module addressing rudimentary thermodynamics within the context of applied energy systems. It is at an introductory level for engineers or technologists. The book does not attempt to cover the principles of thermodynamics comprehensively. Rather, it provides a practical but theoretically sound foundation, linked to some key areas. Energy, heat and work are all introduced, as are units and dimensions. Ideal gases and properties of liquids and vapours are treated. Non-flow and steady flow processes are described. Simple theory is provided for pumps and for the reciprocating compressor. Rudimentary steam and refrigeration or heat pump cycles are explained. Property tables are included. A separate solutions manual is provided.
https://arrow.dit.ie/engmecbk/3
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Aspen Plus Simulation of Biomass Gasification in a Steam Blown Dual Fluidised Bed
(2013)
Doherty, Wayne; Reynolds, Anthony; Kennedy, David
Aspen Plus Simulation of Biomass Gasification in a Steam Blown Dual Fluidised Bed
(2013)
Doherty, Wayne; Reynolds, Anthony; Kennedy, David
Abstract:
The efficient utilisation of biomass resources is of utmost importance. Biomass gasification offers much higher efficiencies than combustion. Gasification is a process in which a fuel is converted to a combustible gas (syngas). A dual fluidised bed gasifier known as the fast internally circulating fluidised bed (FICFB) was selected. It has been demonstrated at industrial scale and data is readily available for model validation. An Aspen Plus model was developed to simulate the FICFB gasifier. The model is based on Gibbs free energy minimisation and the restricted equilibrium method was used to calibrate it. The model has been validated and predicts syngas composition, heating value and cold gas efficiency (CGE) in very good agreement with published data. Important operating parameters such as gasification temperature (Tg), biomass moisture, steam to biomass ratio (STBR), air-fuel ratio and air and steam temperature were varied. Tg and STBR were found to have very strong influence on...
https://arrow.dit.ie/engmecbk/2
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Chemically responsive hydrogel deformation mechanics: a review
(2019)
Fennell, Eanna; Huyghe, Jacques M.
Chemically responsive hydrogel deformation mechanics: a review
(2019)
Fennell, Eanna; Huyghe, Jacques M.
Abstract:
A hydrogel is a polymeric three-dimensional network structure. The applications of this material type are diversified over a broad range of fields. Their soft nature and similarity to natural tissue allows for their use in tissue engineering, medical devices, agriculture, and industrial health products. However, as the demand for such materials increases, the need to understand the material mechanics is paramount across all fields. As a result, many attempts to numerically model the swelling and drying of chemically responsive hydrogels have been published. Material characterization of the mechanical properties of a gel bead under osmotic loading is difficult. As a result, much of the literature has implemented variants of swelling theories. Therefore, this article focuses on reviewing the current literature and outlining the numerical models of swelling hydrogels as a result of exposure to chemical stimuli. Furthermore, the experimental techniques attempting to quantify bulk gel me...
http://hdl.handle.net/10344/8433
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Chloroquine (antimalaria medication with anti SARS-CoV activity) solubility in supercritical carbon dioxide
(2020)
Pishnamazi, Mahboubeh; Hosseini, Saber; Zabihi, Samyar; Borousan, Fatemeh; Hezave, Ali ...
Chloroquine (antimalaria medication with anti SARS-CoV activity) solubility in supercritical carbon dioxide
(2020)
Pishnamazi, Mahboubeh; Hosseini, Saber; Zabihi, Samyar; Borousan, Fatemeh; Hezave, Ali Zeinolabedini; Marjani, Azam; Shirazian, Saeed
Abstract:
The full text of this article will not be available in ULIR until the embargo expires on the 13/10/2022
Unfortunately, malaria still remains a major problem in tropical areas, and it takes thousands of lives each year and causes millions of infected cases. Besides, on December 2019, a new virus known as coronavirus appeared, that its rapid prevalence caused the World Health Organization (WHO) to consider it a pandemic. As a potential drug for controlling or treating these two undesired diseases at the cellular level, chloroquine and its derivatives are being investigated, although they possess side effects, which must be reduced for effective and safe treatments. With respect to the importance of this medicine, the current research aimed to calculate the solubility of chloroquine in supercritical carbon dioxide, and evaluated effect of pressure and temperature on the solubility. The pressure varied between 120 and 400 bar, and temperatures between 308 and 338 K were set for the ...
http://hdl.handle.net/10344/9509
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Comparison of nucleation and growth mechanisms in alloy solidification to those in metallic glass crystallisation - relevance to modeling
(2013)
Browne, David J.; Kovacs, Z.; Mirihanage, Wajira U.
Comparison of nucleation and growth mechanisms in alloy solidification to those in metallic glass crystallisation - relevance to modeling
(2013)
Browne, David J.; Kovacs, Z.; Mirihanage, Wajira U.
Abstract:
The development of microstructure during phase transformations is often best understood by considerations of nucleation in the parent material followed by growth of the new phase. This is a mature research field in alloy solidification, thanks to extensive investigations of nucleation and dendritic growth in cooling alloy melts. Bulk metallic glasses, on the other hand, typically do not form crystals on cooling from above the liquidus to below the glass transition temperature, resulting in very strong hard materials. As BMG toughness can be enhanced by a crystallising anneal, the study of nucleation and growth of crystals in viscous multi-component liquids has become an important topic for study. Such devitrification can lead to crystalline-glass composites or bulk nano-crystalline alloys, and the micro- or nano-structure is controlled by phenomena such as diffusion of solute and heat, and impingement dynamics. The relevance of solidification theories of nucleation, growth and impin...
http://hdl.handle.net/10197/4779
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Computer Simulation of a Biomass Gasification-solid Oxide Fuel Cell Power System using Aspen Plus
(2010)
Doherty, Wayne; Reynolds, Anthony; Kennedy, David
Computer Simulation of a Biomass Gasification-solid Oxide Fuel Cell Power System using Aspen Plus
(2010)
Doherty, Wayne; Reynolds, Anthony; Kennedy, David
Abstract:
The operation and performance of a solid oxide fuel cell (SOFC) stack on biomass syn-gas from a biomass gasification combined heat and power (CHP) plant is investigated. The objective of this work is to develop a model of a biomass-SOFC system capable of predicting performance under diverse operating conditions. The tubular SOFC technology is selected. The SOFC stack model, equilibrium type based on Gibbs free energy minimisation, is developed using Aspen Plus. The model performs heat and mass balances and considers ohmic, activation and concentration losses for the voltage calculation. The model is validated against data available in the literature for operation on natural gas. Operating parameters are varied; parameters such as fuel utilisation factor (Uf), current density (j) and steam to carbon ratio (STCR) have significant influence. The results indicate that there must be a trade-off between voltage, efficiency and power with respect to j and the stack should be operated at lo...
https://arrow.dit.ie/engschmecart/23
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Crystallisation thermodynamics
(2017)
Valavi, Masood
Crystallisation thermodynamics
(2017)
Valavi, Masood
Abstract:
This study investigated two important thermodynamic parameters of crystallisation: the activity coefficient and solubility. The influence of composition and temperature on the activity coefficient was investigated to provide a better approximation of the driving force of crystallisation. It was found that the influence of temperature on the activity coefficient was generally much smaller than the influence of composition. Based on an analysis that was performed, a new estimation of the driving force was suggested. Since the driving force is also dependent on solubility, it is important to have an accurate estimation of solubility. Three models were used to calculate a solubility curve: “original NRTL-SAC”, “temperature-dependent NRTL-SAC” and “Pharma UNIFAC”. A comparison between the performances of these three models was presented. It was found that introducing a temperature-dependent binary interaction parameter to the original NRTL-SAC model could improve this model’s performance...
http://hdl.handle.net/10344/6117
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Detection of nasba amplified bacterial tmrna molecules on slicsel designed microarray probes
(2018)
Scheler, Ott; Kaplinski, Lauris; Glynn, Barry; Palta, Priit; Parkel, Sven; Toome, Kadri...
Detection of nasba amplified bacterial tmrna molecules on slicsel designed microarray probes
(2018)
Scheler, Ott; Kaplinski, Lauris; Glynn, Barry; Palta, Priit; Parkel, Sven; Toome, Kadri; Maher, Majella; Barry, Thomas; Remm, Maido; Kurg, Ants
Abstract:
Background: We present a comprehensive technological solution for bacterial diagnostics using tmRNA as a marker molecule. A robust probe design algorithm for microbial detection microarray is implemented. The probes were evaluated for specificity and, combined with NASBA (Nucleic Acid Sequence Based Amplification) amplification, for sensitivity. Results: We developed a new web-based program SLICSel for the design of hybridization probes, based on nearest-neighbor thermodynamic modeling. A SLICSel minimum binding energy difference criterion of 4 kcal/mol was sufficient to design of Streptococcus pneumoniae tmRNA specific microarray probes. With lower binding energy difference criteria, additional hybridization specificity tests on the microarray were needed to eliminate non-specific probes. Using SLICSel designed microarray probes and NASBA we were able to detect S. pneumoniae tmRNA from a series of total RNA dilutions equivalent to the RNA content of 0.1-10 CFU. Conclusions: The des...
http://hdl.handle.net/10379/13816
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Experimental Energy Performance of Open Cooling Towers Used Under Low and Variable Approach Conditions for Indirect Evaporative Cooling of Buildings
(2003)
Costelloe, Ben; Finn, Donal
Experimental Energy Performance of Open Cooling Towers Used Under Low and Variable Approach Conditions for Indirect Evaporative Cooling of Buildings
(2003)
Costelloe, Ben; Finn, Donal
Abstract:
The success of chilled ceilings and displacement ventilation systems as a means of sensible cooling in buildings has prompted a review of evaporative cooling technology as an effective means of generating the required cooling water. When such cooling water is generated at low approach conditions (2–5 K), at the higher temperatures required in these systems (14–18°C), very high levels of availability result. In many north western European locations the levels of availability are such that the prospect of supplanting rather than simply supplementing the refrigeration system, for sensible cooling purposes, arises. The viability of the technique, however, largely depends on achieving low approach conditions, at acceptable levels of energy performance. Hence the need to investigate the energy performance of the process. This paper presents the results of recent experimental research into: i) the achievement of low approach conditions in an evaporative cooling test rig; and ii) the energy...
https://arrow.dit.ie/engschcivart/18
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Free Energies and Minimal States for Scalar Linear Viscoelasticity
(2015)
Golden, Murrough
Free Energies and Minimal States for Scalar Linear Viscoelasticity
(2015)
Golden, Murrough
Abstract:
The concept of a minimal state was introduced in recent decades, based on earlier work by Noll. The property that a given quantity is a functional of the minimal state is of central interest in the present work. Using a standard representation of a free energy associated with a linear memory constitutive relation, a new condition, involving linear functionals, is derived which, if satisfied, ensures that the free energy is a functional of the minimal state. Using this result and recent work on constructing free energy functionals, it is shown that if the kernel of the rate of dissipation functional is given by sums of products, the associated free energy functional is a functional of the minimal state.
https://arrow.dit.ie/scschmatart/199
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Free Energies for Materials with Memory in Terms of State Functionals
(2014)
Golden, Murrough
Free Energies for Materials with Memory in Terms of State Functionals
(2014)
Golden, Murrough
Abstract:
Abstract The aim of thiswork is to determinewhat free energy functionals are expressible as quadratic forms of the state functional It which is discussed in earlier papers. The single integral form is shown to include the functional wF proposed a few years ago, and also a further category of functionals which are easily described but more complicated to construct. These latter examples exist only for certain types of materials. The double integral case is examined in detail, against the background of a newsystematic approach developed recently for double integral quadratic forms in terms of strain history, which was used to uncover new free energy functionals. However, while, in principle, the same method should apply to free energieswhich can be given by quadratic forms in terms of It , it emerges that this requirement is very restrictive; indeed, only the minimum free energy can be expressed in such a manner
https://arrow.dit.ie/scschmatart/172
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Free Energies For Singleton Minimal States
(2016)
Golden, Murrough
Free Energies For Singleton Minimal States
(2016)
Golden, Murrough
Abstract:
It is assumed that any free energy funcuon exhibits strict periodic benav10r tor histories that have been periodic for all past times. This is not the case for the work function, which, however, has the usual defining properties of a free energy. Fonns given m fairly recent years for the minimum and related free energies of linear materials with memory have this property. Materials for which the minimal states are all singletons are those for which at least some of the singularities of the Fourier transfonn of the relaxation function are not isolated. For such materials, the maximum free energy is the work function, and free energies intermediate between the minimum free energy and the work function should be given by a linear relation involving these two quantities. All such functionals, except the minimum free energy, therefore do not have strict periodic behavior for periodic histories, which contradicts our assumption. A way out of the difficulty is explored which involves appro...
https://arrow.dit.ie/scschmatart/217
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Geocooling with integrated PCM thermal energy storage in a commercial building
(2020)
McKenna, P.; Turner, William J. N.; Finn, Donal
Geocooling with integrated PCM thermal energy storage in a commercial building
(2020)
McKenna, P.; Turner, William J. N.; Finn, Donal
Abstract:
Geocooling and thermal energy storage (TES) are two strategies that could help alleviate the energy and carbon emission burden from cooling commercial buildings. This simulation study analyses the potential for geocooling, both with and without TES, in a Mediterranean climate. Spherically-encapsulated phase change material (PCM) was used as the thermal storage medium in the TES system. A PCM TES tank model was developed and validated within the TRNSYS environment. Using a small, lightweight commercial building as a case study, it was found that electricity savings of between 24 and 45% are possible from combining geocooling with TES, when compared to a system based on a reference ground-source heat pump (GSHP).
European Commission - Seventh Framework Programme (FP7)
Science Foundation Ireland
University College Dublin
http://hdl.handle.net/10197/11543
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In-situ observations of nanoscale effects in germanium nanowire growth with ternary eutectic alloys
(2014)
Biswas, Subhajit; O'Regan, Colm; Morris, Michael A.; Holmes, Justin D.
In-situ observations of nanoscale effects in germanium nanowire growth with ternary eutectic alloys
(2014)
Biswas, Subhajit; O'Regan, Colm; Morris, Michael A.; Holmes, Justin D.
Abstract:
Vapour-liquid-solid (VLS) techniques are popular routes for the scalable synthesis of semiconductor nanowires. In this article, in-situ electron microscopy is used to correlate the equilibrium content of ternary (Au0.75Ag0.25–Ge and Au0.65Ag0.35–Ge) metastable alloys with the kinetics, thermodynamics and diameter of Ge nanowires grown via a VLS mechanism. The shape and geometry of the heterogeneous interfaces between the liquid eutectic and solid Ge nanowires varies as a function of nanowire diameter and eutectic alloy composition. The behaviour of the faceted heterogeneous liquid–solid interface correlates with the growth kinetics of the nanowires, where the main growth facet at the solid nanowire–liquid catalyst drop contact line lengthens for faster nanowire growth kinetics. Pronounced diameter dependent growth kinetics, as inferred from liquid–solid interfacial behaviour, is apparent for the synthesised nanowires. Direct in-situ microscopy observations facilitates the comparison...
http://hdl.handle.net/10468/2242
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Indirect Evaporative Cooling Potential in Air-water Systems in Temperate Climates
(2003)
Costelloe, Ben; Finn, Donal
Indirect Evaporative Cooling Potential in Air-water Systems in Temperate Climates
(2003)
Costelloe, Ben; Finn, Donal
Abstract:
Recent developments have prompted a review of evaporative cooling technology as an effective means of cooling modern deep plan buildings. Prominent among these developments is the success of high temperature sensible cooling systems, particularly, chilled ceilings, which require a supply of cooling water at 14–18 °C. Crucial to the success of evaporative cooling technology, as a significant means of cooling in modern applications, is the ability to generate cooling water, in an indirect circuit, at a temperature which closely approaches the ambient adiabatic saturation temperature (AST) or wet bulb temperature (WBT). Recent experimental research has demonstrated that it is technically viable to generate such cooling water at a temperature of 3 K above the ambient AST. While the frequency of ambient AST occurrence can be obtained from meteorological sources, there is little in-depth analysis of the potential for this form of cooling water generation, based on the approach temperature...
https://arrow.dit.ie/engschcivart/16
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Influence of agitation and fluid shear on nucleation of m-hydroxybenzoic acid polymorphs
(2014)
Liu, Jin; Svärd, Michael; Rasmuson, Åke C.
Influence of agitation and fluid shear on nucleation of m-hydroxybenzoic acid polymorphs
(2014)
Liu, Jin; Svärd, Michael; Rasmuson, Åke C.
Abstract:
The influence of agitation and fluid shear on nucleation of m-hydroxybenzoic acid polymorphs from 1-propanol solution has been investigated through 1160 cooling crystallization experiments. The induction time has been measured at different supersaturations and temperatures in two different crystallizer setups: small vials agitated by magnetic stir bars, for which experiments were repeated 4080 times, and a rotating cylinder apparatus, for which each experiment was repeated five times. The nucleating polymorph has in each case been identified by FTIR spectroscopy. At high thermodynamic driving force for nucleation, only the metastable polymorph (form II) was obtained, while at low driving force both polymorphs were obtained. At equal driving force, a higher temperature resulted in a larger proportion of form I nucleations. The fluid dynamic conditions influence the induction time, as well as the polymorphic outcome. Experiments in small vials show that the agitation rate has a strong...
http://hdl.handle.net/10344/5293
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Influence of non-local thermodynamic equilibrium and Zeeman effects on magnetic equilibrium reconstruction using spectral motional Stark effect diagnostic
(2017)
Reimer, R.; Marchuk, O.; Geiger, B.; McCarthy, Patrick J.; Dunne, Michael G.; Hobirk, J...
Influence of non-local thermodynamic equilibrium and Zeeman effects on magnetic equilibrium reconstruction using spectral motional Stark effect diagnostic
(2017)
Reimer, R.; Marchuk, O.; Geiger, B.; McCarthy, Patrick J.; Dunne, Michael G.; Hobirk, J.; Wolf, R.; ASDEX Upgrade Team
Abstract:
The Motional Stark Effect (MSE) diagnostic is a well established technique to infer the local internal magnetic field in fusion plasmas. In this paper, the existing forward model which describes the MSE data is extended by the Zeeman effect, fine-structure, and relativistic corrections in the interpretation of the MSE spectra for different experimental conditions at the tokamak ASDEX Upgrade. The contribution of the non-Local Thermodynamic Equilibrium (non-LTE) populations among the magnetic sub-levels and the Zeeman effect on the derived plasma parameters is different. The obtained pitch angle is changed by 3°…4° and by 0.5°…1° including the non-LTE and the Zeeman effects into the standard statistical MSE model. The total correction is about 4°. Moreover, the variation of the magnetic field strength is significantly changed by 2.2% due to the Zeeman effect only. While the data on the derived pitch angle still could not be tested against the other diagnostics, the results from an eq...
http://hdl.handle.net/10468/5872
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Inosine Can Increase DNA′s Susceptibility to Photo‐oxidation by a RuII Complex due to Structural Change in the Minor Groove
(2020)
Keane, Páraic M.; Hall, James P.; Poynton, Fergus E.; Quinn, Susan J.; et al.
Inosine Can Increase DNA′s Susceptibility to Photo‐oxidation by a RuII Complex due to Structural Change in the Minor Groove
(2020)
Keane, Páraic M.; Hall, James P.; Poynton, Fergus E.; Quinn, Susan J.; et al.
Abstract:
Weinheim Key to the development of DNA-targeting phototherapeutic drugs is determining the interplay between the photoactivity of the drug and its binding preference for a target sequence. For the photo-oxidising lambda-[Ru(TAP)2(dppz)]2+ (Λ-1) (dppz=dipyridophenazine) complex bound to either d{T1C2G3G4C5G6C7C8G9A10}2 (G9) or d{TCGGCGCCIA}2 (I9), the X-ray crystal structures show the dppz intercalated at the terminal T1C2;G9A10 step or T1C2;I9A10 step. Thus substitution of the G9 nucleobase by inosine does not affect intercalation in the solid state although with I9 the dppz is more deeply inserted. In solution it is found that the extent of guanine photo-oxidation, and the rate of back electron-transfer, as determined by pico- and nanosecond time-resolved infrared and transient visible absorption spectroscopy, is enhanced in I9, despite it containing the less oxidisable inosine. This is attributed to the nature of the binding in the minor groove due to the absence of an NH2 group. ...
http://hdl.handle.net/10197/11614
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Investment analysis of gas-turbine combined heat and power systems for commercial buildings under different climatic and market scenarios
(2020)
Carragher, Mark; De Rosa, Mattia; Kathirgamanathan, Anjukan; Finn, Donal
Investment analysis of gas-turbine combined heat and power systems for commercial buildings under different climatic and market scenarios
(2020)
Carragher, Mark; De Rosa, Mattia; Kathirgamanathan, Anjukan; Finn, Donal
Abstract:
The aim of the proposed work is to investigate the technical and economic suitability of a gas turbine combined heat and power system in commercial buildings. These systems are widely recognised as a promising technology to provide significant fuel savings and carbon emissions reduction where they have been widely used in industrial settings due to the relatively constant electrical and thermal loads required for industrial processes. However, their deployment has been relatively stagnant over the last few decades due to challenges such as poor planning and policy measures, energy market changes and regulatory barriers. In this context, a preliminary system design and optimisation procedure has been developed based on a sensitivity analysis of different scenarios of building loads, market and weather conditions. The optimisation is performed considering several technical and environmental parameters (e.g., energy and exergy efficiencies and primary energy saving), as well as economi...
http://hdl.handle.net/10197/11535
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