Two different definitions of cluster-size heterogeneity are investigated as well as correlation time of different quantities using the Metropolis algorithm and the Wolff algorithm. It is confirmed that the correlation time multiplied by the computation time is lower for the Wolff algorithm in an area around the critical temperature. It is also confirmed that one definition of the heterogeneity has a local maximum at the critical temperature where as the other has an abrupt change in derivative. The local maximum appears with L ≥ 64 and it is predicted but not verified that systems with L > 43 have such a maximum. The relationship between the number of distinct cluster sizes for clusters with spin-up and spin-down is investigated and it is observed that these transition from being significantly different at lower temperatures to being mostly similar at higher temperatures. The point of transition appears to be near the critical temperature.

Benefited from the efficiency of hydraulic fracturing and horizon drilling, the production of unconventional oil and gas resources, such as shale gas and tight oil, has grown quickly in 21th century and contributed to the North America oil and gas production. Although the new enhancing oil recover (EOR) technologies and strong demand spike the production of unconventional resources, there are still unknowns in recovery mechanisms and phase behavior in tight rock reservoirs. In such environment, the phase behavior is altered by high capillary pressure owing to the nanoscale pore throats of shale rocks and it may also influence minimum miscibility pressure (MMP), which is an important parameter controlling gas floods for CO2 injection EOR. To investigate this influence, flash calculation is modified with considering capillary pressure and this work implements three different method to calculate MMP: method of characteristics (MOC); multiple mixing cell (MMC); and slim-tube simulation. The results show that CO2 minimum miscibility pressure in nanopore size reservoirs are affected by gas-oil capillary pressure owing to the alternation of key tie lines in displacement. The values of CO2-MMP from three different methods match well. Moreover, in tight rock reservoirs, the heterogeneous pore size distribution, such as the ones seen in fractured reservoirs, may affect the recovery mechanisms and MMP. This work also investigates the effect of pore size heterogeneity on multicomponent multiphase hydrocarbon fluid composition distribution and its subsequent influence on mass transfer through shale nanopores. According to the simulation results, compositional gradient forms in heterogeneous nanopores of tight reservoirs because oil and gas phase compositions depend on the pore size. Considering that permeability is small in tight rocks and shales, we expect that mass transfer within heterogeneous pore size porous media to be diffusion-dominated. Our results imply that there can be a selective matrix-fracture component mass transfer during both primary production and gas injection secondary recovery in fractured shale rocks. Therefore, molecular diffusion should not be neglected from mass transfer equations for simulations of gas injection EOR or primary recovery of heterogeneous shale reservoirs with pore size distribution. / Master of Science / The new technologies to recover unconventional resources in oil and gas industry, such as fracturing and horizontal drilling, boosted the production of shale gas and tight oil in 21st century and contributed to the North America oil and gas production. Although the new technologies and strong demand spiked the production of tight oil resources, there are still unknowns of oil and gas flow mechanisms in tight rock reservoirs. As we know, the oil and gas resources are stored in the pores of reservoir formation rock. During production process, the oil and gas are pushed into production wells by formation pressure. However, the pore radius of shale rock is extremely small (around nanometers), which reduces the flow rate of oil and gas and raises capillary pressure in pores. The high capillary pressure will alter the oil and gas phase behavior and it may influence the value of minimum miscibility pressure (MMP), which is an important design parameter for CO2 injection (an important technology to raise production). To investigate this influence, we changed classical model with considering capillary pressure and this modified model is implemented in different methods to calculate MMP. The results show that CO2 -MMP in shale reservoirs are affected by capillary pressure and the results from different methods match well. Moreover, in tight rock reservoirs, the heterogeneous pore size distribution, such as fractures in reservoirs, may affect the flow of oil and gas and MMP value. So, this work also investigates the effect of pore size heterogeneity on oil and gas flow mechanisms. According to the simulation results, compositional gradient forms in heterogeneous nanopores of tight reservoirs and this gradient will cause diffusion which will dominate the other fluid flow mechanisms. Therefore, we always need to consider molecular diffusion in the simulation model for shale reservoirs.

L’hétérogénéité de croissance est un problème récurrent en aquaculture dont le déterminisme est le résultat d’une interaction complexe de nombreux facteurs: alimentaires, populationnels, environnementaux et génétiques. Nous avons développé un modèle individu-centré (système multi-agent) pour reproduire in silico les phénomènes biologiques sous-jacents (Mo.B.I.Fish : Model of Behavioral Interaction of Fish). La première étape a consisté en l’élaboration d’un modèle de croissance capable de modéliser la prise de poids d’un poisson en fonction de son ingéré. Deux types de modèles ont été évalués (Scope For Growth et Dynamic Energy Budget) sur des données expérimentales de croissance et le SFG a été retenu. Il a ensuite été utilisé en validation pour évaluer l’importance de l’ingéré et d’autres facteurs dans l’hétérogénéité de croissance. La deuxième étape de modélisation a consisté en l’élaboration d’un modèle simulant les interactions sociales entre poissons. Ces interactions ont été simulées par un système multi agents qui reproduit des séries de combats entre deux individus dont l’issue est dépendante de leur poids, de leurs interactions passées, de leur génétique et d’un effet aléatoire. Le résultat de ces combats influence leur nourrissage individuel. A l’aide de 2 expérimentations ad hoc de croissance de perche en circuit fermé, nous avons pu calibrer et valider le modèle de façon à estimer l’importance des différents facteurs dans le déterminisme des combats. La comparaison entre le modèle et les données a été faite sur les variables « poids moyen »« coefficient de variation » et « coefficient de corrélation de Spearman ». Il est apparu ainsi que la taille avait une faible importance, et que le déterminisme des combats pouvait être, en première approche considéré comme purement aléatoire. L’effet mémoire permet de simuler le désordre des rangs de poids des poissons entre le début et la fin de la période de croissance / Growth heterogeneity is a recurrent problem in fish aquaculture. Its determinism is the result of complex interactions between numerous factors: feeding rate, social interactions, environmental conditions and genetics. We developed an individualized based model (multi-agent system) to reproduce in silico biological phenomena (Mo.B.I.Fish : Model of Behavioral Interaction of Fish). The first step of modelling consisted of choosing a model that could simulate growth knowing the food intake. Two models were compared (Scope For Growth and Dynamic Energy Budget) to experimental data of growing fish: we finally chose the SFG. This model was used in validation to evaluate the relative influence of the food intake (combined with other factors) on growth heterogeneity. The second step of modelling consisted of building a model which simulated social interactions between fish. These interactions were simulated with a multi-agent system that reproduced fights between two fish, in which the final result depended on the weight, experience of each fish, genetic and random effect. The result of the fight had direct influence on the individual intake. Two experiments were conducted on perch in recirculating system, which provided to us data to both calibrate and validate the model. The output of the model was the mean weight, the coefficient of variation of the weight and the Spearman's rank correlation coefficient of fish weight. Hence we could estimate the relative importance of each factor in the determinism of the fights. We observed that size had little or no effect, and that the determinism could be considered as completely random. The experience effect also allowed simulating accurately the rank of the weight of fish between the beginning and the end of the experiments

The Mycobacterium genus contains major human pathogens, like Mycobacterium tuberculosis and Mycobacterium leprae, which are the causative agents of Tuberculosis and Leprosy, respectively. They have evolved as successful human pathogens by adapting to the adverse conditions prevailing inside the host, which include host immune activation, nutrient depletion, hypoxia, and so on. During such adaptation for the survival and establishment of persistent infection inside the host, the pathogen, like M. tuberculosis, regulates its cell division. It is known that M. tuberculosis enters a state of non-replicating persistence (NRP) inside the host, to establish latent infection, which helps the survival of the pathogen under adverse host conditions such as hypoxia and nutrient depletion. The pathogen can reactivate itself, to come out of the NRP state, and establish active infection at a later stage, when conditions are suitable for its proliferation. The altered physiological state of the latent bacterium makes it tolerant to drugs, which are only effective against proliferating tubercle bacilli. In view of this unique behavioural physiology of tubercle bacilli, it is important to study the process of cell division and how it is regulated in the NRP and actively growing states. The work reported in the thesis is an attempt to understand these aspects of mycobacterial cell division. iii Chapter 1. Introduction: This chapter gives a detailed introduction to bacterial cell division and its regulation in various organisms, like Escherichia coli, Bacillus subtilis, Caulobacter crescentus, and others. In the background of this information, the major studies on mycobacterial cell division and its regulation are presented. Chapter 2. Materials and Methods: This chapter describes in detail all the materials and methods used in the experiments, which are presented in the four data chapters, 3-6. Chapter 3. Ultrastructural Study of the Formation of Septal Partition and Constriction in Mycobacteria and Delineation of its Unique Features: Mycobacteria have triple-layered complex cell wall, playing an important role in its survival under adverse conditions in the host. It is not known how these layers in the mother cell participate during cell division. Therefore, the ultrastructural changes in the different envelope layers of Mycobacterium tuberculosis, Mycobacterium smegmatis, and Mycobacterium xenopi, during the process of septation and septal constriction, were studied, using Transmission and Scanning Electron Microscopy. The unique aspects of mycobacterial septation and constriction were identified and were compared with those of E. coli and Bacillus subtilis septation. Further, based on all these observations, models were proposed for septation in M. tuberculosis and M. smegmatis. Chapter 4. Identification of Asymmetric Septation and Division in Mycobacteria and Its Role in Generating Cell Size Heterogeneity: Bacterial populations are known to harbour phenotypic heterogeneity that helps survival under stress conditions, as this heterogeneity comprises subpopulations that have differential susceptibility to stress conditions. The iv heterogeneity has been known to lead to the requirement for prolonged drug treatment for the elimination of the tolerant subpopulation. Hence, it is important to study the different mechanisms, which operate to generate population heterogeneity. Therefore, in this chapter, studies were carried out to find out whether asymmetric septation and division occur in mycobacteria to generate cell size heterogeneity. Subpopulations of mycobacterial mid-log phase cells of M. tuberculosis, M. smegmatis, and M. xenopi were found to undergo asymmetric division to generate cell size heterogeneity. The asymmetric division and the ultrastructure and growth features of the products of the division were studied. Chapter 5. Study of Mycobacterial Cell Division Using Growth-Synchronised Cells: In this chapter, different stages of cell septation and constriction were studied using growth-synchronised M. smegmatis cells. Phenethyl alcohol (PEA), which has been found to reversibly arrest mycobacterial cells, was used for growth synchronisation. The growth-synchronised mycobacterial cells, which were released from PEA block, were studied at different stages of septation and septal constriction, at the ultrastructural and molecular levels. Chapter 6. Identification of the Stage of Cell Division Arrest in NRP Mycobacteria: The exact stage at which the NRP tubercle bacilli are arrested in cell division is currently unknown. In Wayne’s in vitro model for hypoxia-responsive tubercle bacilli, gradual depletion of oxygen leads to hypoxic stress, inducing the bacilli to enter non-replicating persistence (NRP) state. Using this model, the stage of cell division arrest in M. tuberculosis was characterised at the ultrastructural and molecular levels. Hypoxia-stressed M. smegmatis was used as an experimental system for contrast. The thesis concludes with salient findings, a bibliography, and the list of publications.