Orientador: Edvaldo Sabadini / Dissertação (mestrado) - Universidade Estadual de Campinas, Instituto de Química / Made available in DSpace on 2018-08-27T18:09:34Z (GMT). No. of bitstreams: 1 Creatto_EduardoJose_M.pdf: 2495128 bytes, checksum: 6912961c15614521a8e45f4e9139f99f (MD5) Previous issue date: 2015 / Resumo: A química supramolecular envolve estruturas mantidas por interações intermoleculares. Neste contexto, sistemas que apresentam estruturas auto organizadas são de interesse devido importância como ciência de base bem como aplicabilidade. Neste trabalho foram utilizadas micelas de brometo de hexadeciltrimetilamônio (CTAB) como reticulantes de hidroxietilceluloses hidrofobicamente modificadas. Como as micelas estão em constante quebra e recombinação, reticulações transientes são obtidas. Tais sistemas apresentam comportamento reológico característico, dependente da concentração do surfactante. Obervou-se que a celulose que apresenta maior ramificação hidrofóbica resulta em aumento mais efetivo da viscosidade como consequência do maior grau de reticulação. A Técnica de calorimetria de titulação isotérmica (ITC) foi utilizada de modo a compreender os processos energéticos envolvidos na agregação. Com esta pôde-se obter parâmetros do sistema como cmc, cac e ?H°mic . Elucidou-se também que as interações polímero-surfactante são de origem hidrofóbica. A adição de salicilato de sódio (NaSal) em solução de CTAB leva a formação de micelas gigantes. Determinou-se por ITC a razão, [CTAB]/[NaSal], em que ocorre a formação de micelas gigantes, bem como a variação de entalpia deste processo. Sistemas contendo micelas gigantes e na presença de celulose hidrofóbicamente modificada foram estudados por reologia. Variações em seu comportamento foram claramente observadas / Abstract: Supramolecular chemistry involves structures maintained by the intermolecular interactions. In this context, systems that have self-assembled structures are of interest because of importance as basic science as well as applicability. In this study, we used micelles formed by hexadecyltrimethylammonium bromide (CTAB) as crosslinking agents of hydrophobically modified hydroxyethylcelluloses. As the micelles are constantly breaking and recombination, transient crosslinks are obtained. Such systems have characteristic rheological behavior, dependent on the surfactant concentration. It was observed that the cellulose which is more hydrophobic branching results in more effective increase in viscosity as a result of the higher degree of crosslinking. Isothermal titration Calorimetry (ITC) technique was used to understand the energy involved in the aggregation process. With this it was possible to obtain system parameters such as cmc, cac and ?H°mic. It is also elucidated that the interaction polymer-surfactant are of hydrophobic origin. The addition of sodium salicylate (NaSal) into CTAB solutions leads to formation of giant micelles. It was determined by ITC the ratio [CTAB]/[NaSal] in what occurs the formation of giant micelle, and the enthalpy change of the process. Systems containing giant micelles in the presence of hydrophobically modified cellulose were studied by rheology. Variations in their behavior were clearly observed / Mestrado / Físico-Química / Doutor em Ciências

Recently there has been a great deal of attention in the oilfield industry focused on the phenomenal properties of viscoelastic surfactants (VES). The interest is motivated by their applications as switchable smart fluids, their surface tension, and their thickening and rheology enhancement in aqueous solution. Surfactant molecules in solution are known for their ability to assemble spontaneously into complex structures. Under certain thermodynamic conditions, temperature and electrolyte concentrations, wormlike micelles are formed. These micelles share similar equilibrium and dynamic properties with polymer solutions, However, micellar chains can break and recombine spontaneously which make them part of the more general class of living polymers. It is vital to understand the properties of viscoelastic wormlike micelles with regard to their flow in porous media. The overall objective of this study is to establish a better understanding of counterion effect on behavior of VES. The dependence of macroscopic properties on intermolecular interactions of complex fluid systems such as VES is an enormous challenge. To achieve our objective, we use first-principle calculations and molecular dynamics (MD) simulations to resolve the full chemical details in order to study how the structure of the micellar and solution properties depends on the chemical structure of the surfactant head group (HG) and type of counterion. In particular, we run simulations for different structures in gas-phase and aqueous solutions together with their salt counterions at room temperature and atmospheric pressure. For this purpose, we consider four types of surfactant HG (anionic, cationic, betaine and amidoamine oxide) together with the most common ions present in the acidizing fluid of a carbonate reservoir such as Ca2+, Mg2+, Fe2+, Fe3+, Mn2+ and Zn2+, Cl-, OH- and HS-. Hydration of ions as well as interactions with surfactant the HG are studied using density functional theory (DFT). The results give important insight into the links between molecular details of VES HG structure and observed solution properties. This study proposes for the first time the possible mechanisms that explain the exotic behavior of VES at high Fe(III) concentration. Also, our MD simulation suggests that distribution of chloride ion around surfactant molecules is responsible for their viscosity behavior in HCl solution. We believe that our results are an important step to develop more systematic procedures for the molecular design and formulation of more effective and efficient VES systems.

Orientadores: Edvaldo Sabadini, René Alfonso Nome Silva / Tese (doutorado) - Universidade Estadual de Campinas, Instituto de Química / Made available in DSpace on 2018-08-27T10:23:43Z (GMT). No. of bitstreams: 1 Ito_ThiagoHeiji_D.pdf: 8761085 bytes, checksum: 521d52e10af7805f341661ecc562599c (MD5) Previous issue date: 2015 / Resumo: Micelas gigantes têm sido muito estudadas desde os anos de 1980 e suas propriedades têm atraído a atenção tanto do setor produtivo quanto acadêmico. Aumento de viscosidade, capacidade de reduzir o atrito hidrodinâmico, formação de fluidos viscoelásticos e do tipo gel, são alguns dos fenômenos que fazem deste, um sistema de interesse em ambos os setores. Na literatura, está relatada uma grande quantidade de sistemas com propriedades particulares, inclusive, responsivos a estímulos luminosos, elétricos ou mudança no pH, todas advindas de diversas combinações entre diferentes componentes. No entanto, pouco se conhece a respeito dos fatores que levam à formação (crescimento), à estabilidade e, consequentemente, aos diversos fenômenos que despertam tanto interesse desse tipo de sistema supramolecular. Neste trabalho, buscou-se compreender e sistematizar a influência da estrutura molecular de vários compostos aromáticos na capacidade de induzir a formação de micelas gigantes com surfactantes catiônicos, além de uma interpretação baseada na termodinâmica para compreender o processo de crescimento deste sistema supramolecular. Para isso foram utilizadas várias técnicas como reologia, espalhamento de luz e nêutrons, e calorimetria de titulação isotérmica, que demonstraram uma grande influência de fatores estruturais dos co-solutos aromáticos como a presença de carga, hidrofobicidade e, especialmente, a capacidade de empacotamento devido à planaridade da molécula, demostrado pela primeira vez. Além disso, os ensaios de calorimetria e espalhamento de luz elucidaram como se dá o processo de crescimento da micela, bem como, mostraram a importância que a carga superficial do agregado tem para transição entre micelas curtas e alongadas / Abstract: Giant micelles have been studied since the 1980s and their properties have attracted the attention of both the productive sector and the academic. Viscosity increase, the ability in promote hydrodynamic drag reduction, formation of viscoelastic and gel-like fluids, are some of the phenomena that turn interesting the system in both approaches. In the literature, it is reported a large number of systems showing particular properties, including light, electrical stimuli or pH responsive, resulting from combinations of several different components. However, little is known about the factors that lead to formation (growth), stability and, consequently, to many phenomena which arouse such interest on that kind of supramolecular system. In this study, we tried to understand the influence of the molecular structure of various aromatic compounds in the ability to induce the formation of wormlike micelles with cationic surfactants, and an interpretation based on thermodynamics to understand the growth process of such supramolecular system. Several techniques like rheology, light and neutrons scattering, and isothermal titration calorimetry, have been used in order to study the system, which showed the influence of structural factors of the aromatic co-solutes such as presence of electrostatic charge, hydrophobicity, and the packing capacity due the planarity of the molecule, demonstrated for the first time. Additionally, calorimetric and light scattering measurements elucidated the growth process of the micelle, and showed the importance of the surface charge in transition between small and elongated micelles / Doutorado / Físico-Química / Doutor em Ciências

L'écoulement des fluides complexes à l'échelle micrométrique est une problématique qui intéresse notamment la récupération assistée du pétrole. Ici, les fluides sont des solutions de polymères et de tensioactifs capables de s'auto-assembler en micelles géantes. Nous étudions ces écoulements au sein d'outils microfluidiques fabriqués en résine SU-8 selon un protocole développé pendant cette thèse. Nous avons réalisé des expériences de drainage d'huile en milieux poreux et montré que la rhéofluidification et le glissement promeuvent le phénomène de digitation pendant l'invasion. Nos expériences montrent que ces solutions peuvent être élastiquement turbulentes à de faibles nombre de Reynolds. Ces instabilités de vitesse ont des conséquences sur la rhéologie locale du fluide dans un simple canal droit et sont une source de dissipation additionnelle dans des géométries plus complexes. / The flow of complex fluids in confined geometries is an issue of interest notably in the field of oil recovery. In this work, the fluids are polymer solutions of high molecular weight and surfactant solutions enable to form wormlike micelles. We study the flow in microfluidic devices made-up with Su-8 resin following a protocol that has been set during this PhD. We carried out experiences of oil drainage in porous media and show that shear-thinning and slippage are propoting the fingering during the invasion. our experiences also show that these solutions can be turbulent at low reynods numbers. These instabilities have consequences on the local rheology in a simple straight channel and are source of additional dissipation in more complex geometries.

L’étude des fluides complexes présente un grand intérêt de par la richesse des phénomènes que font intervenir leur écoulement. Une étude de rhéologie locale de systèmes de micelles géantes en microcanal droit est effectuée. L’expérience montre que les propriétés du fluide soumis à un fort gradient de contrainte ne peuvent être décrites que par une équation rhéologique comportant des termes non locaux. Nous montrons alors l’influence du système de micelles géantes, du confinement ainsi que de la nature des surfaces du microcanal sur ces effets non locaux. Une étude des phénomènes temporels intervenant dans ces écoulements en microcanaux est alors proposée, ainsi qu’une étude préliminaire concernant les écoulements dans des milieux poreux modèles. / The study of complex fluids flows is of great interest according to the diversity of phenomenon it involves. A study of the local rheology of wormlike micelles flowing in a simple straight microchannel is proposed. Experiments show that the properties of such a fluid undergoing a strong shear stress gradient can only be described by an equation including non local terms. We thereafter show the influence of the wormlike micelles system, of the confinement and of the nature of the microchannel walls on those non local effects. A study of the temporal phenomenon occurring in microfluidic flows of wormlike micelles is then proposed, as well as a preliminary study concerning flows in porous media.

Orientadores: Edvaldo Sabadini, Rosângela Barros Zanoni Lopes Moreno / Tese (doutorado) - Universidade Estadual de Campinas, Instituto de Química / Made available in DSpace on 2018-08-25T12:17:08Z (GMT). No. of bitstreams: 1 Rodrigues_RobertaKamei_D.pdf: 3168201 bytes, checksum: 311be9e2895bc6d972563662136638fa (MD5) Previous issue date: 2013 / Resumo: O presente trabalho descreve o potencial das micelas gigantes como aditivos para facilitar operações de gravel-pack. O objetivo da operação de completação gravel-pack é obtenção de um filtro de areia ou cerâmica (gravel) capaz de conter areia da formação durante a produção de um poço de petróleo. As micelas gigantes podem ser utilizadas na fase de preenchimento do gravel-pack, com a finalidade de produzir um sistema capaz de reduzir as perdas de carga geradas pelo fluxo turbulento do fluido (por redução de atrito hidrodinâmico), melhorar a homogeneidade da distribuição de areia na dispersão e, consequentemente, viabilizar a operação em cenários de janela operacional estreita. O fênomeno de redução de atrito hidrodinâmico está relacionado com a menor energia requerida para o escoamento de líquidos em regime turbulento, quando certas macromoléculas estão dissolvidas. Estudos indicam que a redução de atrito hidrodinâmico pode estar diretamente relacionada à flexibilidade e ao tamanho de macromoléculas, que podem interagir com os vórtices e evitar a dissipação da energia. Soluções de alguns surfactantes, em determinadas condições, podem formar micelas alongadas (gigantes). O sistema resultante possui algumas características de soluções poliméricas, sendo capaz de produzir o mesmo efeito, sem, no entanto, sofrer degradação mecânica devido ao bombeamento ou cisalhamento prolongado. Foram desenvolvidos estudos fundamentais a partir de medidas reológicas, calorimétricas e de espalhamento dinâmico de luz para investigar a estabilidade térmica e mecânica de micelas gigantes formadas por surfactantes catiônicos e ânions aromáticos. Em seguida, foram avaliadas as melhores composições, nas quais se obtiveram significativos níveis de redução de atrito hidrodinâmico em condições de temperaturas de fundo de poço, em soluções de alta salinidade e usando-se micelas gigantes formadas por surfactantes comerciais. Os resultados desses estudos fundamentais foram utilizados para avaliar o desempenho das micelas gigantes em circuitos de escoamento. Também foi verificado o efeito da presença das micelas gigantes no arraste do grão de areia, em condições próximas às das operações de gravel-pack / Abstract: This thesis describes the potential of wormlike micelles as additives to improve gravel-pack operations. The aim of the completion operation of grave-pack is to create a sand or ceramic filter able to contain the sand formation during the gravel-pack operation in order to produce a system capable of reducing friction losses on a fluid in turbulent flow (by drag reduction), to improve the homogeneity of the distribution of sand dispersion and thus facilitate the operation in case of narrow window scenarios. The phenomenon of drag reduction is related to the lower energy required for liquid transports in turbulent flow when certain macromolecules are dissolved. Studies indicate that drag reduction can be directly related to the flexibility and size of the macromolecules, which can interact with the vortices and prevent dissipation of energy. Solutions of some surfactants, under certain conditions, can form long micelles (wormlike micelles). The resulting system has some characteristics of polymer solutions, being able to produce the same effect, however without suffering degradation due to pumping or high shear. Fundamental studies were conducted using rheological, calorimetric and dynamic light scattering measurements in order to investigate the thermal and mechanical stability of wormlike micelles formed by cationic surfactants and aromatic anions. Then, the best compositions were evaluated, which were obtained significant levels of drag reduction under bottom hole temperature, in solutions of high salinity and using wormlike micelles formed by commercial surfactants. The results of these fundamental studies were used to evaluate the performance of wormlike micelles in flow loops. We also checked the effect of the presence / Doutorado / Físico-Química / Doutora em Ciências

Parmi les méthodes de Récupération Améliorée du Pétrole (RAP) il en existe une, dite chimique, qui fait appel à des fluides complexes (polymères, gels, tensioactifs) qui permet de modifier la viscosité et/ou la tension interfaciale Les solutions de polymères utilisées actuellement présentent l’inconvénient d’être sensibles de manière irréversible aux taux de cisaillement élevés observés au voisinage des puits. Une alternative à ces solutions de polymères pourrait nous être donnée par l’utilisation de micelles géantes. Il s’agit d’auto-assemblages de molécules amphiphiles dont le comportement est similaire à celui des polymères avec l’avantage d’une meilleure stabilité aux cisaillements élevés (capacité des micelles à se reformer après cisaillement).L’objectif de ce travail est d’étudier l’écoulement d’une solution de micelles géantes en milieu poreux, dans le but de déterminer son éventuelle utilité dans le RAP. Il s’agit d’une caractérisation en milieu poreux à l’échelle du laboratoire, utilisant des milieux poreux naturels, de façon à se placer dans un cadre d’étude le plus réaliste possible. Cette étude se divise en trois parties :- Une étude rhéologique de la solution de micelles géantes- Une étude monophasique de l’injection de la solution dans un milieu poreux naturel- Une étude diphasique du déplacement d’huile par la solution de micelles.Les résultats de cette étude seront comparés avec des expériences références utilisant des techniques classiques de récupération telles que l’ASP et l’injection de polymères / Among all the Enhanced Oil Recovery (EOR) methods used to improve oil recovery, chemical methods require the use of complex fluids like polymers or surfactant solutions. Those fluids present particular chemical and mechanical properties allowing to modify viscosity and/or interfacial tension to increase oil recovery. However, polymer solutions show a high sensitivity to shear rates existing close to wells and may lose their mechanical properties when they are injected in a porous media. An alternative method could be to use self arrangement of surfactant molecules (wormlike micelles) to displace oil in porous media. These systems show not only a similar behaviour as polymers but also a low sensibility to temperature and shear rates.The goal of this experimental work is to study the flow of wormlike micelle solutions innatural porous media in order to determine its ability to flow and displace oil in place. Itconsists in a characterization at laboratoty scale. We will use natural porous media in orderto be close to a realistic situation. This study is divided in three parts:- A rheological characterization of the micellar system- A monophasic injection within the porous medium- A diphasic _ow study of oil displacementThe results of this work are compared to standard reference experiments using classicaltechniques such as ASP or polymer injection.

Orientador: Edvaldo Sabadini / Dissertação (mestrado) - Universidade Estadual de Campinas, Instituto de Química / Made available in DSpace on 2018-08-26T20:28:41Z (GMT). No. of bitstreams: 1 Clinckspoor_KarlJan_M.pdf: 16885506 bytes, checksum: bf5bdbaa99957493be29510c93bbd89d (MD5) Previous issue date: 2015 / Resumo: O papel estrutural de cossolutos derivados de cinamato para a formação de micelas gigantes de surfactantes catiônicos. Micelas gigantes (MG) são estruturas de autoassociação de surfactantes que podem ser formadas pela adição de cossolutos aromáticos, como salicilato, a soluções de surfactantes catiônicos como CTAB e TTAB (brometo de cetiltrimetilamônio e brometo de tetradeciltrimetilamônio). Estudou-se o papel de derivados estruturais do ácido cinâmico (C6H6-CH=CH-COOH), a saber, ácido ortohidroxicinâmico (OHCA), ácido ortometoxicinâmico (OMCA), ácido ortohidroxifenilpropiônico (OHPA), ácido 3-fenilpropiônico (3PPA) na formação de MG de CTAB e TTAB, em pH 6, e também foi estudada a variação de pH de soluções com OHCA, entre pH 6 e 11. As técnicas principais utilizadas foram: Reologia oscilatória, Espalhamento estático de luz (SLS), Calorimetria de titulação isotérmica (ITC), Espalhamento de raio X em baixo ângulo (SAXS) e Microscopia de transmissão eletrônica em temperaturas criogênicas (Cryo-TEM). Variando a estrutura dos cossolutos, foi possível observar que tanto a presença da ligação dupla do cinamato quanto a de uma hidroxila na posição orto contribuem para a formação de MGs. Quando o cossoluto possui esses dois grupos, que é o caso do OHCA, as micelas são formadas em proporções muito baixas de [TTAB]/[Cossoluto], como foi visto por ITC. Quando o cossoluto possui somente um dos grupos, a formação de micelas ocorre em proporções maiores (OHPA, OMCA, Cinamato) e quando possui nenhum dos dois grupos (3PPA), não são formadas micelas gigantes. As estruturas das micelas de cada região do ITC foram inferidas por SLS e ensaios viscosimétricos. Variando-se o pH das soluções de OHCA com TTAB, observou-se que quanto maior o pH, as micelas são formadas em proporções maiores e a entalpia de formação é menor. Por reologia, foi visto que em pH 9, o sistema formado possui um tempo de relaxação muito maior que em pHs 6-8, em pH 10 o sistema não é mais Maxwelliano e em pH 11, a solução é fluída como água. Isso ocorre porque, quanto maior o pH, o OHCA se torna mais hidrofólico e menor é sua partição no interior da micela / Abstract: The structural role of cossolutes derived from cinnamate in the formation of cationic surfactante wormlike micelles. Wormlike micelles (WLM) are surfactant self-assembly structures that can be formed by the addition of aromatic cossolutes, like salicylate, to solutions of cationic surfactants like CTAB and TTAB (cetyltrimethylammonium bromide and tetradecyltrimethylammonium bromide). We studied the structural role of structural derivatives of cinnamic acid (C6H6-CH=CH-COOH), namely, orthohydroxycinnamic acid (OHCA), orthomethoxycinnamic acid (OMCA), orthohydroxyphenylproprionic acid (OHPA), 3-phenylpropionic acid (3PPA) on the formation of wormlike micelles of CTAB and TTAB, at pH 6. We also studied the variation of pH, ranging from 6 to 11, on OHCA WLM. The main techniques used were: Oscillatory rheology, static light scattering (SLS), isothermal titration calorimetry (ITC), small angle x-ray scattering (SAXS) and cryogenic temperature transmission electron microscopy (Cryo-TEM). By varying the structure of the cossolutes, it was possible to see that both the presence of a double bond and an ortho-hydroxyl favor the formation of WLM. When the cossolute has both groups (OHCA), the WLM are formed at very low [TTAB]/[Cossolute], as was seen by ITC. When the cossolute has only one of those groups the WLMs are formed at higher proportions (OHPA, OMCA, Cinnamate) and when it doesn't have either groups (3PPA), no WLMs are formed. The structures at each concentration region were inferred by viscosimetry and SLS. When varying the pH of OHCA, it was observed that the higher the pH, the proportion for the formation of WLM is increased, and the enthalpy of formation is smaller. By rheology it was seen that at pH 9, the system formed has a much higher relaxation time than at pH 6-8, at pH 10 the system isn't Maxwellian and at pH 11, the system is liquid. This occurs because by increasing the pH, the hydrophilicity of OHCA is increased, and smaller is its partition on the WLM palisade / Mestrado / Físico-Química / Mestre em Química

Ce travail de thèse cherche à mieux caractériser le comportement des matériaux hétérogènes sous cisaillement avec une approche multi-échelles (macro-méso-microscopique).Cela est rendu possible en développant un montage innovant qui couple un rhéomètre à un système d’imagerie de speckle résolue spatialement et temporellement (RheoSpeckle). Nous montrons la validation de notre expérience en l’appliquant sur deux matériaux parfaits : un solide et un liquide. Sur le solide, on mesure le champ de déplacement sur les images de speckle avec une résolution meilleure que 1 µm. Puis on prouve l’élasticité du matériau à l’échelle microscopique. Sur le liquide, la taille des nanoparticules est déterminée avec un excellent accord avec la spécification du fabriquant. Le champ de vitesse dans l’entrefer du Couette est calculé avec une bonne précision sur un temps inférieur à 1 s et avec une résolution spatiale de 100 µm sur 5mm. La dynamique microscopique d’une solution brownienne est étudiée et l’influence du cisaillement sur la décorrélation est déterminée. Nous montrons les capacités de notre expérience à étudier des matériaux hétérogènes en l’appliquant sur une solution concentrée de micelles géantes. La rhéologie linéaire est étudiée en rhéometrie classique mais aussi en utilisant l’imagerie du speckle. La rhéologie non linéaire de ce matériau est déterminé en rhéometrie (macro) mais aussi en calculant le champ de vitesse et l’intensité des images de speckle (méso) ou on caractérise les bandes de cisaillement qui se forment à partir d’un cisaillement critique. En fin la relaxation spatio-temporelle des bandes de cisaillement (micro) est caractérisée. On observe pour la première fois l’existence de deux temps de relaxation après l’arrêt du cisaillement et que la relaxation des bandes est relativement lente. / This work tries to better characterize the behavior of homogeneous and heterogeneous materials under shear with a multi-scale approach (macro-meso-micro-scopic). To do that, we have developed an innovative setup by coupling a rheometer to a speckle imaging geometry witch is spatially and temporally resolved (RheoSpeckle). We validate our experience using two perfect materials: a solid and a pure viscous fluid. On a solid sample, we calculate the displacement field on the speckle images with a resolution better than 1 µm. we demonstrate than, the microscopic elasticity of this material. On a pure viscous fluid, we measured the nanoparticle’s size with excellent accuracy. When a constant shear rate is applied, the velocity profile is measured with a time less than 1 s with a spatial resolution of 100 µm over 5 mm. The microscopic dynamic of a Brownian solution under shear is probed and the shear induced on the decorrelation of the intensity correlation function is studied. We show the capabilities of our experience using a concentrated solution of wormlike micelles. The linear rheology is studied using rheometric measurements and our speckle imaging system. Nonlinear rheology is studied using rheometric measurements (macro), but also by calculating the velocity filed and the intensity of speckle images (meso). With mesocopics measurements, the formation of shear banding is proved and characterized. Finally, the spatio-temporal relaxation (micro) of shear bands of this material is studied. We show for the first time the existence of two relaxations times after shear and that the relaxation of bands is relatively slow.

In this thesis, we have tried to explain the regular and irregular(chaotic) dynamics of worm like micellar solutions on applying shear, through a detailed study of the equation of motion of a nematic order parameter tensor coupled to a hydrodynamic velocity field. We have assumed spatial variations only along one direction i.e. the gradient direction(1D model). The resulting phase diagram shows various interesting steady states or phases such as spatiotemporal chaos, temporal and spatiotemporal periodicities, and alignment of the director axis along the imposed flow field. The coupling of the orientational degrees of freedom of the order parameter with the hydrodynamic flow field holds the key to the appearance of dynamic shear bands in the system. We have solved numerically a set of coupled nonlinear equations to obtain the order parameter stress developed in the system; the magnitude of the order parameter tensor, the biaxiality parameter and the orientation of the director axis of the nemato gens under shear have also been studied in detail. To study the phase diagram obtained by time integration of the equation of motion mathematically, a stability analysis of the fixed point of motion for various parameter values has been performed so that the location of the chaotic-to-aligned phase boundary is verified. Also in the periodic region of the phase diagram, the stability of limit cycles is tested by analysing the fixed point of the corresponding Poincare map. Stability analysis of the periodic orbits leads to the observation that in the parameter space, there are regions of phase coexistence where chaotic or spatiotemporally intermittent behaviour coexists with periodic behaviour. When corrections in the imposed velocity field due to the order parameter stress were taken into account and the order parameter response was looked into at several points in the parameter space, the modified equations of motion were found to reproduce the earlier behaviour in all the different regimes if the value of a dimensionless viscosity parameter is taken to be such that the bare viscous stress overrides the order parameter stress. The phase boundaries are however different from the ones seen in the earlier model. However, for a choice of the viscosity parameter such that the order parameter stress and the bare viscous stress are comparable, we see two distinctly different attractors: a banded, periodic one that is common to both α1equalto 0, and not equal to 0 and a banded chaotic one for α1not equal to 0. Here, α1is a parameter that governs the nonlinearity in the stretching of the order parameter tensor along the direction of the applied shear. Quantitative analysis of the various chaotic attractors throws up not only positive Lyapunov exponents but also that the banded chaos is a “flip-flop” kind of chaos where the switching between two long-lived states of high and lows hear stress is chaotic, where as the behaviour in either of the two states is periodic, with either a single, isolated frequency or a bunch of harmonics. Also, the spatial correlation of the shear stress in the chaotic attractors is of much larger range than the temporal correlation, the latter being almost delta-function-like. On increasing the temperature of the system till it is above the isotropic–nematic transition temperature in the absence of shear, we find that under shear, similar attractors as those in the nematic case are observed, both for passive advection and for the full 1D hydrodynamics. This is an encouraging result since actual experiments are performed at a temperature for which the system is in the isotropic phase in the absence of shear. Thus for the 1D system, the parameter space has been explored quite extensively. Considering spatial variations only along the gradient axis of the system under shear is not enough since experiments have observed interesting behaviour in the vorticity plane in which Taylor velocity rolls were noted. Hence taking the system to 2D was necessary. Our numerical study of the 2D system under shear is incomplete because we came across computational difficulties. However, on shorter time scales we have seen a two-banded state with an oscillating interface and Taylor velocity rolls as well. The methodology used for the 2D study can also be used to reproduce the 1D results by the simple step of taking initial condition with no variation in the vorticity direction. This automatically ensures that no variation in the vorticity direction ever builds up because the equations of motion ensure that these variations in the system do not grow by themselves unless fed in at the start. Using this method, we were able to reproduce all the attractors found in the 1D calculation. Thus the 1D attractors have been observed using two different methods of calculation. Further work on the full 2D numerics needs to be done because we believe that spatiotemporally complex steady-state attractor s exist in the 2D system also for appropriate values of the parameters.