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http://hdl.handle.net/2005/5
Tue, 05 Jul 2016 09:58:40 GMT2016-07-05T09:58:40ZA Residual Based h-Adaptive Strategy Employing A Zero Mean Polynomial Reconstruction
http://hdl.handle.net/2005/2515
Title: A Residual Based h-Adaptive Strategy Employing A Zero Mean Polynomial Reconstruction
Authors: Patel, Sumit Kumar
Abstract: This thesis deals with the development of a new adaptive algorithm for three-dimensional fluid flows based on a residual error estimator. The residual, known as the R –parameter has been successfully extended to three dimensions using a novel approach for arbitrary grid topologies. The computation of the residual error estimator in three dimensions is based on a least-squares based reconstruction and the order of accuracy of the latter is critical in obtaining a consistent estimate of the error. The R –parameter can become inconsistent on three–dimensional meshes depending on the grid quality. A Zero Mean Polynomial(ZMP) which is k–exact, and which preserves the mean has been used in this thesis to overcome the problem. It is demonstrated that the ZMP approach leads to a more accurate estimation of solution derivatives as opposed to the conventional polynomial based least-squares method. The ZMP approach is employed to compute the R –parameter which is the n used to derive the criteria for refinement and derefinement. Studies on three different complex test problems involving inviscid, laminar and turbulent flows demonstrate that the new adaptive algorithm is capable of detecting the sources of error efficiently and lead to accurate results independent of the grid topology.Sun, 17 Apr 2016 18:30:00 GMThttp://hdl.handle.net/2005/25152016-04-17T18:30:00ZHigh Reynolds Number Flow Over A Backward-Facing Step
http://hdl.handle.net/2005/2542
Title: High Reynolds Number Flow Over A Backward-Facing Step
Authors: Nadge, Pankaj M
Abstract: Flow separation and reattachment happens in many fluid mechanical situations occurring in engineering applications as well as in nature. The flow over a backward-facing step represents a geometrically simple flow situation exhibiting both flow separation and reattachment. Broadly speaking there are only two important parameters in the problem, the Reynolds number(Re) based on the step height(h),and a geometrical parameter, referred to as the Expansion ratio(ER), defined as the downstream channel height to the upstream channel height. In spite of the relative simplicity of this geometry, the flow downstream is quite complex. The main focus of the present work is to elucidate the unsteady three-dimensional coherent structures present in this flow at large Re, Re>36,000,based on the step height(h). For this, we use velocity field measurements from Particle Image Velocimetry (PIV)in conjunction with hotwire anemometry measurements.
The time-averaged structure of this flow is first studied in detail, including the effect of Reynolds number(Re) and Expansion Ratio(ER), on it. These studies show that at sufficiently large Re (Re>20,000), the reattachment length becomes independent of Re. The detailed internal structure of the separation bubble is also found to be independent of Re, but for Revalues that are relatively larger(Re>36,000). At large Re, the main effect of ER ,is found to be on the reattachment length, which increases with ER and saturates for ER values greater than about 1.8. The detailed internal structure of the separation bubble has been mapped at high Re and is found to be nearly the same for all ER, when the streamwise length is normalized by the reattachment length.
In order to elucidate the unsteady coherent vortical structures, PIV measurements are done in two orthogonal planes downstream of the backward-facing step. These measurements are done for ER= 1.50 at large Re(Re=36,000) and in a large aspect ratio facility(AR= span length/step height= 24); the latter being important to avoid any effects due to span-wise confinement. In the spanwise plane parallel to the lower wall(x-z plane),instantaneous velocity fields show counter rotating vortex pairs, which is a signature of the three-dimensional vortical structures in this plane. Using conditional averaging, this counter-rotating vortex pair signature is captured right from upstream of the step, to well after reattachment. Spatial correlations are used to get the length scale of these coherent vortical structures, which varies substantially from the attached boundary layer before separation to the region after reattachment. The variation of these structures in the cross-stream (vertical) direction at reattachment and beyond gives an idea about their three dimensional shape. The circulation of these counter-rotating pairs is measured from the conditionally aver-aged fields, and is found to increase with streamwise distance reaching normalized circulation values (Γ/Uoh) of about 0.5 around reattachment.
Velocity spectra downstream of the step show peaks corresponding to both the shear layer frequency(Stsl)and a relatively lower frequency that corresponds to large-scale shedding from the separation bubble (Stb); the latter in particular being quasi-periodic. Small amplitude sinusoidal forcing at the shedding frequency(Stb) is applied close to the step, by blowing and suction, to make the quasi-periodic shedding more regular. Measurements show that this has a very small effect on both the mean separation bubble and on the counter-rotating structures in the x-z plane. This mild forcing however enables phase locked PIV measurements to be made which shows the bubble shedding phenomenon in the cross-stream plane(side view or x-y plane).
The phase-averaged velocity fields show significant variations from phase to phase. Although there is some hint of structures being shed, from these phase-averaged fields, it is not very clear. One of the primary reasons is the fact that the flow is effectively spanwise averaged, as the three-dimensional structures are not locked in the spanwise direction. To get a three dimensional view of the sheddin gphenomenon, it is necessary to lock the spanwise location with respect to the three-dimensional vortical structures before averaging across the different phases. We use the condition, u’<- urms, to locate the central plane between the counter-rotating structures, which in effect are the “legs” of the three-dimensional structure. With this condition, we effectively get a slice of the shedding cycle cutting through the “head” of the three-dimensional structure. Apart from this cut, we also get a cut between adjacent structures from the weak sweep events, with the condition u’<- urms. Using these conditions, on the phase-locked velocity fields, we effectively lock the structures in time, as well as in the spanwise direction. With this ,a clearer picture of the shedding process emerges. The flow is highly three-dimensional near reattachment and the shedding of the separation bubble is modulated in the spanwise direction owing to the three-dimensional hairpin like vortical structures in the flow. The separation bubble is seen bulged out and lifted high at locations where the head of the hairpin vortex passes, owing to the strong ejection of fluid caused by the vortical structure. On the other hand, outside the hairpin vortices, weak sweep events push the flow towards the wall and make it shallow and less prominent, with the shedding being very weak in this plane. From these observations, a three-dimensional picture of the flow is proposed.Mon, 20 Jun 2016 18:30:00 GMThttp://hdl.handle.net/2005/25422016-06-20T18:30:00ZModeling Lysis Dynamcis Of Pore Forming Toxins And Determination Of Mechanical Properties Of Soft Materials
http://hdl.handle.net/2005/2466
Title: Modeling Lysis Dynamcis Of Pore Forming Toxins And Determination Of Mechanical Properties Of Soft Materials
Authors: Vaidyanathan, M S
Abstract: Pore forming toxins are known for their ability to efficiently form transmembrane pores which eventually leads to cell lysis. PFTs have potential applications in devel-oping novel drug and gene delivery strategies. Although structural aspects of many pore forming toxins have been studied, very little is known about the dynamics and subsequent rupture mechanisms. In the first part of the thesis, a combined experimental and modeling study to understand the lytic action of Cytolysin A (ClyA) toxins on red blood cells (RBCs) has been presented. Lysis experiments are carried out on a 1% suspension of RBCs for different initial toxin concentrations ranging from 100 – 500 ng/ml and the extent of lysis is monitored spectrophotometrically. Using a mean field approach, we propose a non – equilibrium adsorption-reaction model to quantify the rate of pore formation on the cell surface. By analysing the model in a pre-lysis regime, the number of pores per RBC to initiate rupture was found to lie between 400 and 800. The time constants for pore formation are estimated to lie between 1-25 s and monomer conformation time scales were found to be 2-4 times greater than the oligomerization times. Using this model, we are able to predict the extent of cell lysis as a function of the initial toxin concentration. Various kinetic models for oligomerization mechanism have been explored. Irreversible sequential kinetic model has the best agreement with the available experimental data. Subsequent to the mean field approach, a population balance model was also formulated.
The mechanics of cell rupture due to pore formation is poorly understood. Efforts to address this issue are concerned with understanding the changes in the membrane mechanical properties such as the modulus and tension in the presence of pores. The second part of the thesis is concerned with using atomic force microscopy to measure the mechanical properties of cells. We explore the possibility of employing tapping mode AFM (TM-AFM) to obtain the elastic modulus of soft samples. The dynamics of TM-AFM is modelled to predict the elastic modulus of soft samples, and predict optimal cantilever stiffness for soft biological samples. From experiments using TM-AFM on Nylon-6,6 the elastic modulus is predicted to lie between 2 and 5 GPa. For materials having elastic moduli in the range of 1– 20 GPa, the cantilever stiffness from simulations is found to lie in the range of 1 – 50 N/m. For soft biological samples, whose elastic moduli are in the range of 10-1000 kPa, a narrower range of cantilever stiffness (0.1 – 0.6 N/m), should be used.Thu, 06 Aug 2015 18:30:00 GMThttp://hdl.handle.net/2005/24662015-08-06T18:30:00ZExperimental Determination And New Correlations For Multi-Component Solid Solubilities In Supercritical Carbon Dioxide
http://hdl.handle.net/2005/2509
Title: Experimental Determination And New Correlations For Multi-Component Solid Solubilities In Supercritical Carbon Dioxide
Authors: Reddy, N Siva Mohan
Abstract: The fluids that are operated above their critical temperature and pressure are
known as supercritical fluids (SCFs). SCFs replaces the conventional organic solvents
in the chemical processes due to their attractive properties such as liquid like
densities, gas like diffusivities, negligible surface tension, lower viscosity and high compressibility. Carbon dioxide, being non-toxic, non-flammable with ambient
critical temperature and moderate critical pressure, is the most widely used SCF in
many chemical processes. Supercritical carbon dioxide (SCCO2) finds applications in
industrial processes such as extraction and separation processes. The feasibility of a
supercritical process can be determined from the solubility of solute in SCF. For the
efficient design of a SCF process, the effects of temperature and pressure on the
solubility of a solid should be examined thoroughly. In general, the solute of interest is not present alone; it is present along with many other components in the compound. The solute has to be extracted or separated from matrix of components. Therefore, it is important to determine the mixture solubilities in SCCO2.
The mixture solubility of a solute is not same as that of pure component solubility. The presence of the other component alters the solubility of the solute to a greater extent; hence the effects of the other components present along with the solute, temperature and pressure need to be known to understand the mixture behavior of the solute in SCCO2. The solubilities of solid isomers (ortho-, meta-, para-) in SCCO2 vary to a greater extent. This huge difference in the solubilities of isomers is due to interactions between the molecules. The high solubility of an isomer in SCCO2 might be due to the solute-solvent interactions. The interactions between the molecules are significant in the solid mixtures solubilities in SCCO2. This research
work focuses on experimental determination and modeling of mixture solubilities of
solids in SCCO2.
The solubilities of several pairs of isomers have been experimentally determined at different temperatures and pressures. These include the ternary solubilities of ntrophenols, nitrobenzoic acids and dihydroxy benzene isomers mixtures in SCCO2. The experimental solubilities of nitrophenol (meta- and para-) isomers mixture have been determined. This study includes the effect of temperature, pressure and each isomer on the ternary mixture solubilities of nitrophenol mixtures. The enhancements in the ternary solubilities of nitrophenols over their binary solubilities and the selectivity of SCCO2 for the nitrophenol mixture have been discussed in detail. The solubilities of dihydroxy benzene (ortho-: pyrocatechol, meta- : resorcinol and para-: hydroquinone) isomers in SCCO2 have been determined at various temperatures and pressures. The ternary solubilities of pyrocatechol and resorcinol and quaternary solubilities of pyrocatechol, resorcinol and hydroquinone mixtures in SCCO2 have been investigated. The effect of each isomer on the mixture solubilities of other isomers has been included in this work. Selectivity for dihydroxy benzene isomers and variation of solubilities enhancements with temperature and pressure has been presented in this study. The equilibrium mixture solubilities of nitrobenzoic acid isomers (meta- and para) mixture have been studied. The variation of mixture solubilities and their enhancements with temperature and pressure has been thoroughly analyzed. Selectivity of SCCO2 for this nitrobenzoic acid mixture has been studied in detail.
The increase or decrease in the ternary solubilities of the solid mixtures that
have been considered in this study is due to the interactions between the molecules.
The ternary solubilities of m-nitrophenol increase whereas they decrease for pnitrophenol for the nitrophenol solid mixture. Quaternary solubilities of dihydroxy
benzene isomers (pyrocatechol + resorcinol + hydroquinone) increases compared to
their pure component solubilities. The ternary solubilities of pyrocatechol increases while resorcinol decreases over the pressure range at different temperatures (except 338 K) considered in this study. The mixture solubilities of p-nitrobenzoic acid of nitrobenzoic acid isomers increase to a greater extent. An average of separation
efficiency of 70%, 85% and 90% has been observed for ternary solid mixtures of
nitrophenol, nitrobenzoic acid and dihydroxy benzene isomers respectively.
Modeling of high pressure multi-component systems is useful to understand the behavior of the mixtures. Moreover, the experimental determination of multicomponent solubilities of solids in SCCO2 is tedious and time consuming; hence the modeling of mixture solubilities is essential. The interactions between the molecules have been incorporated in the association theory and a five parameter equation with two constraints has been derived for binary systems. The new equation correlates the solubilities of m-dinitrobenzene in this study along with 72 other systems available in literature.
Seven new model equations have been developed to correlate ternary (2 for
cosolvent (solid + cosolvent + SCCO2) systems; 5 for solid mixtures in SCCO2)
solubilities of solids in SCCO2. A new model equation for cosolvent ternary systems
has been derived by using the concepts of association of molecules. The model equation contains seven adjustable parameters with three constraints and correlates mixture solubilities in terms of temperature, pressure, density and cosolvent composition. The interactions between the molecules have been included in the association theory then the number of parameters decreased to five with two constraints. The performance of the newly developed equations has been evaluated for 32 ternary systems with various cosolvents along with experimental data of mdinitrobenzene in methanol cosolvent of this study.
The same association theory has been extended to ternary (solid mixtures +
SCCO2) solubilities of solids in SCCO2 and two new equations have been derived with and without incorporating interactions between the molecules. Both the equations have five adjustable parameters with three constraints for the equation which has been derived from association theory alone and two constraints for the equation which has been derived by considering the interactions between the
molecules in the association theory. A new model equation has been derived by combining solution model with Wilson activity coefficient model to account for nonidealities of the solute. This equation has four adjustable parameters and no
constraints on the parameters. The non-idealities of both solutes in the solution model have been included and two more equations with no constraints on the parameters have been developed. One equation uses NRTL activity coefficient model which
results in three adjustable parameters while the other equation with five parameters
has been obtained from Wilson activity coefficient model for solid mixtures
solubilities in SCCO2. The performance of the newly developed equations has been
evaluated for the solid mixtures (ternary systems) in SCCO2. The equations with
constraints make them limited for few systems and the equations with no constraints
are able to correlate the solubilities of solids of all the ternary systems that are
available in literature along with the generated ternary experimental data of this study.
The quaternary solubilities of solids have been correlated by using a five parameter model equation which has been derived by combining solution and Wilson activity coefficient models. The equation for the quaternary systems does not have constraints on the parameters; hence can be applied for quaternary systems. The equation correlates the quaternary solubilities of solids in terms of temperature, pressure, density and cosolute compositions.
Chapter 1 gives a brief introduction on the solubilities of solid mixtures and their behavior in SCCO2. Chapter 2 presents the experimental setup and the solubility
data of binary, ternary and quaternary systems determined in this study. Chapter 3
focuses on the models that have been derived to correlate the solubilities of solids in
SCCO2. Chapter 4 discusses in detail about the results obtained in this research work.
Chapter 5 briefly summarizes the work and presents major conclusions. The new equations that have been developed here are first of its kind for the ternary and quaternary systems. These equations give information about the nonidealities of the systems. The nature of the interactions between the molecules can be determined from the parameters of the equations which incorporate interactions between the molecules. The multi-component solubilities of the solids can be correlated by using the semi-empirical equations that have been derived in this research.Tue, 01 Mar 2016 18:30:00 GMThttp://hdl.handle.net/2005/25092016-03-01T18:30:00Z