Multiphase modeling of melting / solidification with high density variations using XFEM

La modélisation de la cryolite, utilisée dans la fabrication de l’aluminium, implique plusieurs défis, notament la présence de discontinuités dans la solution et l’inclusion de la difference de densité entre les phases solide et liquide. Pour surmonter ces défis, plusieurs éléments novateurs ont été développés dans cette thèse. En premier lieu, le problème du changement de phase, communément appelé problème de Stefan, a été résolu en deux dimensions en utilisant la méthode des éléments finis étendue. Une formulation utilisant un multiplicateur de Lagrange stable spécialement développée et une interpolation enrichie a été utilisée pour imposer la température de fusion à l’interface. La vitesse de l’interface est déterminée par le saut dans le flux de chaleur à travers l’interface et a été calculée en utilisant la solution du multiplicateur de Lagrange. En second lieu, les effets convectifs ont été inclus par la résolution des équations de Stokes dans la phase liquide en utilisant la méthode des éléments finis étendue aussi. Troisièmement, le changement de densité entre les phases solide et liquide, généralement négligé dans la littérature, a été pris en compte par l’ajout d’une condition aux limites de vitesse non nulle à l’interface solide-liquide pour respecter la conservation de la masse dans le système. Des problèmes analytiques et numériques ont été résolus pour valider les divers composants du modèle et le système d’équations couplés. Les solutions aux problèmes numériques ont été comparées aux solutions obtenues avec l’algorithme de déplacement de maillage de Comsol. Ces comparaisons démontrent que le modèle par éléments finis étendue reproduit correctement le problème de changement phase avec densités variables.

In situ Lithium and Boron isotope determinations in mica, pyroxene, and serpentine by LA-MC-ICP-MS

Boron and Li are light, incompatible elements that preferentially partition into the liquid phase, whether melt or aqueous fluid, and thus are useful for tracking fluid-related processes in rocks. Most of the Li isotopic data presently available on subduction-related rocks are from whole-rock analyses; and the B isotopic analyses of subduction material have been carried out either on whole-rocks or in-situ on an accessory phase, such as tourmaline. The new method presented here couples an ESI New Wave UP-193-FX ArF* (193 nm) excimer laser-ablation microscope with a Neptune Plus (Thermo Scientific) MC-ICP-MS aiming to measure both Li and B isotopes in situ with good spatial resolution (metamorphic minerals are commonly chemically zoned, and whole-rock analyses lose this detail). The data thus obtained are compared with SIMS analyses on the same mineral samples for B, and with MC-ICP-MS analyses on whole-rock or mineral separates from the same sample for Li. Additionally, data acquired on tourmaline standards were compared to SIMS values. The results show that for B concentrations above 5 μg/g, the data obtained by LA-MC-ICP-MS and by SIMS are identical within error, for mica (phengitic muscovite), pyroxene (jadeite), serpentine (antigorite), and tourmaline. For Li concentrations above 10 μg/g, the data obtained by LA-MC-ICP-MS and by MC-ICP-MS are also identical, within error, for mica (phengitic muscovite), and pyroxene (jadeite). However, analyses of tourmaline standards have shown significant differences with reference values, so LA-MC-ICP-MS does not yet appear to be an appropriate method to analyze Li isotopes in tourmalines. Thus, LA-MC-ICP-MS is a suitable method to measure Li and B isotopes with good spatial resolution in major rock-forming silicates from subduction-related rocks where concentrations exceed 10 μg/g and 5 μg/g, respectively, with an error on individual measurements equal to or less than previously used methods, but obtainable in a significantly shorter amount of time. The external reproducibility is ± 2.88 to 3.31 ‰ for B and ± 1.50 to 1.75 for Li, which is lower than or equal to the variations encountered within a given chemically zoned sample (up to 10 ‰ of variation within a given natural sample).

Cryopreservation of avocado (Persea Americana Mill.) using somatic embryos

Avocado genetic resources are currently maintained in the form of field repositories at great cost and risk of natural disasters, pest and diseases. Cryopreservation offers a necessary, complimentary method that is safe, cost-effective and long-term. However, long-term maintenance and regeneration of plantlets from avocado somatic embryos has been a major barrier in the development of new avocado cultivars. In this study, two protocols for vitrification-based cryopreservation of avocado somatic embryos were investigated. Globular somatic embryos of two avocado cultivars were tested, revealing cultivar-dependent differences in desiccation tolerance and subsequent freezing resistance, possibly attributed to their size and culture age. A two-step regeneration system, involving an intermediate liquid phase step between subcultures in solid medium, significantly enhanced shoot development from somatic embryo tissue. This work will add considerable value towards cryopreservation of avocado somatic embryos for germplasm conservation and the generation of new and improved avocado cultivars.

Valorização de resíduos provenientes da atividade no setor avícola: aplicação do processo de compostagem

O setor avícola, como setor em constante crescimento está associado à produção de elevadas quantidades de resíduos sólidos orgânicos. A crescente taxa de produção de resíduos avícolas leva à necessidade de lhes dar um destino adequado podendo a valorização orgânica, nomeadamente a compostagem, ser uma opção. O presente estudo pretende dar um contributo para o projeto de uma unidade de compostagem numa empresa portuguesa do setor, com valorização dos resíduos produzidos pela mesma, avaliando o potencial de aplicação desta operação de tratamento de resíduos e a qualidade do produto final. Como primeiro passo foi realizada uma caracterização dos resíduos a utilizar de forma a perceber a sua possível influência no processo de degradação. Os ensaios de compostagem foram realizados à escala laboratorial, numa gama de temperatura de 50 a 55ᵒC, utilizando como substrato base uma mistura dos resíduos avícolas, de acordo com os seus quantitativos de produção. Vários potenciais agentes estruturantes foram também testados, como adição ao substrato. A monitorização do processo foi feita com base em análises das fases gasosa (gases de exaustão), sólida (substrato em decomposição) e líquida (lixiviado). A avaliação do processo foi ainda complementada com a caracterização dos produtos finais obtidos, os quais foram ainda sujeitos a testes de fitotoxicidade. Foram observados graus de conversão de matéria orgânica relativamente altos (40-50%), comprovando a aplicabilidade desta operação de tratamento de resíduos. Embora a diferença entre ensaios tenha sido pouco notória, a utilização de uma combinação de cama de aviário e mato destroçado e compostado aparenta ser ligeiramente mais eficiente, enquanto a utilização de casca de eucalipto produziu os piores resultados. Perdas de humidade e de azoto foram as duas situações mais críticas observadas para os vários ensaios, tendo influência tanto sobre o processo como sobre o produto final. Os compostos obtidos revelam baixa qualidade, exibindo valores elevados de pH e condutividade elétrica e elevadas concentrações de metais pesados, tais como cobre e zinco. Supõe-se que as características adversas verificadas estejam associadas à aplicação de quantidades demasiado elevadas de cinza nos substratos, levando à necessidade de redução deste material; estudos adicionais seriam necessários a fim de avaliar as possibilidades de ajuste das quantidades a utilizar, dos diferentes materiais, com o intuito de produzir um produto final com qualidade, respeitando os requisitos legais.

Dinâmica do fósforo em cultivo heterotrófico e produção de compostos celulares por cianobactéria integrado a biorrefinarias agroindustriais

O objetivo desta tese foi avaliar a dinâmica do fósforo em cultivo heterotrófico e produção de compostos celulares por Aphanothece microscopica Nägeli visando avaliar a perspectiva de implementação de uma biorrefinaria microalgal. Desta forma, foi avaliado o comportamento do micro-organismo em estudo no cultivo heterotrófico, utilizando como meio de cultivo o efluente de laticínios. O trabalho foi desenvolvido em 3 etapas. Em um primeiro momento foi avaliada a influência da temperatura (20 e 30°C) e os valores máximos e mínimos de nutrientes, em especial do fósforo dissolvido reativo (PDR), disponíveis no efluente de laticínio, na remoção de nutrientes. Os resultados demonstraram que a concentração inicial de fósforo dissolvido e a temperatura exerceram influência no crescimento celular e na eficiência de remoção de nutrientes. Em termos de otimização de processo os cultivos conduzidos a 20°C e maiores concentrações de PDR (5,5 mg.L-1 ) no efluente de laticínio, foram os mais eficientes na conversão de poluentes em biomassa e remoção de nutrientes. A segunda etapa foi desenvolvida com o objetivo de avaliar a dinâmica de distribuição de fósforo na fase líquida e sólida do reator heterotrófico, quando o efluente de laticínio foi tratado pela Aphanothece microscopica Nägeli, a 20°C e nas máximas concentrações de fósforo dissolvido encontradas no efluente. Foi demonstrado que as formas fosforadas na fase líquida do reator se caracterizam pela predominância da fração dissolvida em comparação à particulada e por apresentar como fração predominante a de fósforo orgânico. No que se refere à fase sólida, ficou demonstrado que a Aphanothece microscopica Nägeli, quando cultivada heterotroficamente apresenta 3,8 vezes mais fósforo que o requerido para o crescimento celular. Ficando demonstrado ainda que a remoção biológica de fósforo por Aphanothece microscopica Nägeli pode resultar em substanciais aportes financeiros para as estações de tratamento de efluentes. Uma terceira etapa foi desenvolvida, a qual teve como objetivo avaliar a estimativa de produção de compostos celulares por Aphanothece microscopica Nägeli, a partir do efluente de laticínio, bem como o efeito da redução de temperatura de cultivo no teor de lipídios , no momento em que é obtida a máxima concentração deste componente celular, nas condições otimizadas.Foi obtido na fase logarítmica de crescimento, concentrações de 41,8 % de proteinas, carboidratos 28,5 %, lipídios 10,4 % e minerais 10,8 %. O maior teor de lipídio registrado a 20°C correspondeu a biomassa analisada na fase logarítmica.Com a redução da temperatura para 5°C por um período de 30 h é possível obter concentrações de lipídios 2,4 vezes superior ao registrado na fase logarítmica a 20 °C. No entanto, não foram indicadas diferenças significativas (p≤0,05) em função da temperatura entre as concentrações de lipídios obtidas para a biomassa a 10°C em 40 h. O perfil de ácidos graxos da biomassa gerada a 20°C, apresentou como ácidos graxos majoritários, os ácidos graxos: palmítico, oléico, γ-linolênico, palmitoleico e esteárico, resultando um aumento na concentração de ácidos graxos saturados as espensa dos insaturados, quando a temperatura é reduzida. Em paralelo,um reator heterotrófico descontinuo foi definido, ficando demonstrado que a extrapolação da operação em batelada para contínua requer um biorreator heterotrófico com volume útil de trabalho de 240,51 m 3 , permitindo tratar 950 m3 diários de efluente, gerando 11,8 kg.d-1 de biomassa útil para produção de compostos celulares por Aphanothece microscopica Nägeli, visando à simultânea remoção de matéria orgânica, nitrogênio total e fósforo total, gerando insumos que podem suportar a implementação de uma biorrefinaria microalgal.

Desenvolvimento de uma Metodologia para a Seletividade cinética aplicada ao processo de hidroconversão do petróleo, ocorrendo em reator gás-líquido

Este trabalho tem como objetivo desenvolver uma metodologia de seletividade cinética, para os pseudocomponentes do petróleo em escoamento gás-liquido em colunas de bolhas usando a Fluidodinâmica Computacional (CFD). Uma geometria cilíndrica de 2,5m de altura e 0,162m de diâmetro foi usada tanto na validação fluidodinâmica com base em dados experimentais da literatura, como na análise cinética do reator operando em dois modos distintos em relação a fase líquida: batelada e contínuo. Todos os casos de estudo operam em regime heterogêneo de escoamento, com velocidade superficial do gás igual a 8 cm/s e diâmetro médio de bolhas de 6 mm. O modelo fluidodinâmico validado apresentou boa concordância com os dados experimentais, sendo empregado como base para a implementação do modelo cinético de rede de Krishna e Saxena (1989). A análise da hidroconversão foi realizada a 371ºC, e os resultados mostraram o comportamento esperado para o processo reativo estudado, definindo-se os tempos (batelada) e posições axiais (contínuo) de coleta ideal para os pseudocomponentes leves. Em síntese, ressaltase o uso da ferramenta CFD no entendimento, desenvolvimento e otimização de processos.

Amphiphilic catalysts for the treatment of oily wastewaters

The main objective of this study was to obtain an effective catalyst for removal of diazo dye - Sudan IV by Catalytic Wet Peroxide Oxidation (CWPO). For this purpose liquid phase treatment was used to increase the basicity of activated carbon surface favoring the adsorption of organic pollutants. Modified activated carbon catalysts were used in different types of experiments: 1) decomposition of H2O2 in aquatic media, 2) decomposition of H2O2 in organic media, 3) adsorption of Sudan IV, 4) Sudan IV removal by CWPO. As the result of all of these experiments the most effective catalyst was obtained and discussed. It was not observed removal of Sudan IV from biphasic system by CWPO. The obtained results in some cases show a slight increase in concentration of Sudan IV, which may be ascribed to experimental errors. Different factors could be the reason of those errors. For example, the high volatility properties of organic media used in experiments should be taken into account during experiments. Under settled reaction temperature the decrease of cyclohexane volume during experiment could give rise in Sudan IV concentration. The initial concentration of model diazo dye also should be reviewed more detailed for CWPO experiments. Despite of these experimental errors the behavior of our catalysts in different media was observed.

Resistência ao choque térmico de carbeto de silício sinterizado via fase líquida

Tese (Doutorado em Tecnologia Nuclear)

Two-State Thermodynamics of Supercooled Water

Water has been called the “most studied and least understood” of all liquids, and upon supercooling its behavior becomes even more anomalous. One particularly fruitful hypothesis posits a liquid-liquid critical point terminating a line of liquid-liquid phase transitions that lies just beyond the reach of experiment. Underlying this hypothesis is the conjecture that there is a competition between two distinct hydrogen-bonding structures of liquid water, one associated with high density and entropy and the other with low density and entropy. The competition between these structures is hypothesized to lead at very low temperatures to a phase transition between a phase rich in the high-density structure and one rich in the low-density structure. Equations of state based on this conjecture have given an excellent account of the thermodynamic properties of supercooled water. In this thesis, I extend that line of research. I treat supercooled aqueous solutions and anomalous behavior of the thermal conductivity of supercooled water. I also address supercooled water at negative pressures, leading to a framework for a coherent understanding of the thermodynamics of water at low temperatures. I supplement analysis of experimental results with data from the TIP4P/2005 model of water, and include an extensive analysis of the thermodynamics of this model.

New Catalysts for the Renewable Production of Monomers for Bioplastics

Terephthalic acid (PTA) is one of the monomers used for the synthesis of the polyester, polyethylene terephthalate (PET), that is used for the large-scale manufacture of synthetic fibers and plastic bottles. PTA is largely produced from the liquid-phase oxidation of petroleum-derived p-xylene (PX). However, there are now ongoing worldwide efforts exploring alternative routes for producing PTA from renewable, biomass resources.

In this thesis, I present a new route to PTA starting from the biomass-derived platform chemical, 5-hydroxymethylfurfural (HMF). This route utilizes new, selective Diels-Alder-dehydration reactions involving ethylene and is advantageous over the previously proposed Diels-Alder-dehydration route to PTA from HMF via 2,5-dimethylfuran (DMF) since the H₂ reduction of HMF to DMF is avoided. Specifically, oxidized derivatives of HMF are reacted as is, or after etherification-esterification with methanol, with ethylene over solid Lewis acid catalysts that do not contain strong Brønsted acids in order to synthesize intermediates of PTA and its equally important diester, dimethyl terephthalate (DMT). The partially oxidized HMF, 5-(hydroxymethyl)furoic acid (HMFA) is reacted with high pressure ethylene over a pure-silica molecular sieve catalyst containing framework tin (Sn-Beta) to produce the Diels-Alder-dehydration product, 4-(hydroxymethyl)benzoic acid (HMBA), with ~30% selectivity at ~20% yield. If HMFA is protected with methanol to form methyl 5-(methoxymethyl)furan-2-carboxylate (MMFC), MMFC can react with ethylene in the presence of a pure-silica molecular sieve containing framework zirconium (Zr-Beta) to produce methyl 4-(methoxymethyl)benzenecarboxylate (MMBC) with >70% selectivity at >20% yield. HMBA and MMBC can then be oxidized to produce PTA and DMT, respectively. When Lewis acid containing mesoporous silica (MCM-41) and amorphous silica, or Brønsted acid containing zeolites (Al-Beta), are used as catalysts, a significant decrease in selectivity/yield of the Diels-Alder-dehydration product is observed.

An investigation to elucidate the reaction network and side products in the conversion of MMFC to MMBC was performed, and the main side products are found to be methyl 4-formylcyclohexa-1,3-diene-1-carboxylate and the ethylene Diels-Alder adduct of this cyclohexadiene. These products presumably form by a different dehydration pathway of the MMFC/ethylene Diels-Alder adduct and should be included when determining the overall selectivity to PTA or DMT since, like MMBC, these compounds are precursors to PTA or DMT.

Fundamental physical and chemical information on the ethylene Diels-Alder-dehydration reactions catalyzed by the Lewis acid-containing molecular sieves was obtained. Madon-Boudart experiments using Zr-Beta as catalyst show that the reaction rates are limited by chemical kinetics only (physical transport limitations are not present), all the Zr⁴⁺ centers are incorporated into the framework of the molecular sieve, and the whole molecular sieve crystal is accessible for catalysis. Apparent activation energies using Zr-Beta are low, suggesting that the overall activation energy of the system may be determined by a collection of terms and is not the true activation energy of a single chemical step.

Estudo da molhabilidade de ligas de adição à base de prata sobre insertos cerâmicos para aplicação em brocas perfuração de poços de petróleo

Metal-ceramic interfaces are present in tricone drill bits with hard ceramic inserts for oil well drilling operations. The combination of actions of cutting, crushing and breaking up of rocks results in the degradation of tricone drill bits by wear, total or partial rupture of the drill bit body or the ceramic inserts, thermal shock and corrosion. Also the improper pressfitting of the ceramic inserts on the bit body may cause its total detachment, and promote serious damages to the drill bit. The improvement on the production process of metal-ceramic interfaces can eliminate or minimize some of above-mentioned failures presented in tricone drill bits, optimizing their lifetime and so reducing drilling metric cost. Brazing is a widely established technique to join metal-ceramic materials, and may be an excellent alternative to the common mechanical press fitting process of hard ceramic inserts on the steel bit body for tricone drill bit. Wetting phenomena plays an essential role in the production of metal/ceramic interfaces when a liquid phase is present in the process. In this work, 72Silver-28Copper eutectic based brazing alloys were melted onto zirconia, silicon nitride and tungsten carbide/Co substrates under high vacuum. Contact angle evolution was measured and graphically plotted, and the interfaces produced were analysed by SEM-EDX. The AgCu eutectic alloy did not wet any ceramic substrates, showing high contact angles, and so without chemical interaction between the materials. Better results were found for the systemns containing 3%wt of titanium in the AgCu alloy. The presence os titanium as a solute in the alloy produces wettable cand termodinamically stable compounds, increasing the ceramics wetting beahviour

Adição de subprodutos da cinza da casca de café (coffea canephora) em massa cerâmica para porcelanato

To produce porcelain tiles fluxing agents are used in order to obtain a liquid phase during firing. This liquid phase fills the pores decreasing porosity, water absorption and contributes to material densification. In the porcelain tiles industry, feldspar is the main flux material used, with quantities ranging between 35 and 50%. Studies focus on the discovery of materials with flux characteristics that can reduce the consumption of feldspar by porcelain tiles industry. In this context, the coffee husk ashes, a residue obtained when coffee husks are burned to produce heat for the dryers during the processing of the green fruit, have as main chemical constituents potassium, calcium and magnesium, giving them characteristics of fluxing material. Brazil is the largest coffee producer in the world and is responsible for over 30% of the world s production. In this work a physical treatment of coffee husk ash was carried out in order to eliminate the organic matter and, after this, two by-products were obtained: residual wastes R1 and R2. Both residues were added separately as single fluxes and also in association with feldspar in mixtures with raw materials collected in a porcelain industry located in Dias d Ávila-Ba. The addition of these residues aimed to contribute to the reduction of the consumption of feldspar in the production of porcelain tiles. Specimens were produced with dimensions of 60 mm x 20 mm x 6 mm in an uniaxial die with compacting pressure of 45 MPa. The samples were heated to a temperature of 1200 °C, for 8 minutes. Tests were performed to characterize the raw materials by XRF, XRD, particle size analysis, DTA and TGA and, additionally, the results of the physical properties of water absorption, apparent porosity, linear shrinkage, density, dilatometry, flexural strength and SEM of sintered body were analyzed. Additions of less than 8% of the residue R1 contributed to the decrease of porosity, but the mechanical strength of the samples was not satisfactory. Additions of 5% the R2 residue contributed significantly to decrease the water absorption and apparent porosity, and also to increase the mechanical strength. Samples with addition of feldspar associated with the R2 residue, in proportions of 6.7% of R2 and 6.7% of feldspar, led to results of water absorption of 0.12% and mechanical strength of 46 MPa, having parameters normalized to the manufacture of porcelain stoneware tiles

Influência da vermiculita expandida na formulação de pastas leves para evitar a migração de gás em cimentação de poços petrolíferos

The gas migration during the cementing of wells is one of the main problems of oil wells engineering. Its occurrence can cause severe problems since shortly to loss of control of the well after cementation. Recently, 20/04/2010 In an accident of major proportions in the Gulf of Mexico, among other factors, faulty cementing operation provided the gas migration, causing the accident, in which 11 people died and 17 were injured occurred. Besides the serious consequences that can be caused by gas migration, remediation of the problem, which is made by injecting cement in damaged areas, usually involves additional costs and is not always effective. Therefore, preventing gas migration to be preferred. Some methods are used to prevent the migration of the pressurized gas as the annular space, application of pressure pulses, reducing the height of the cement column compressible cement pastes of low permeability, pastes and to control free filtered water, and binders of thixotropic cement expandable and flexible. Thus, the cement pastes used to prevent gas migration must meet the maximum these methods. Thus, this study aimed to formulate a cement paste to prevent gas migration, using the expanded vermiculite, and evaluate the behavior of the folder trials necessary for use in oil wells. Free water content, rheological properties, compressive strength, loss of liquid phase sedimentation of solids, specific weight, thickening time and gas migration: The following tests were performed. The results show that meets the specifications paste formulated for use in oil wells and the use of expanded vermiculite contribute to the absorption of free water, thixotropy and low density. The absorption of free water is proven to result in zero percentage test free water content, thixotropy is observed with the high value of the initial gel strength (Gi) in testing rheological properties and low density is proven in test weight specific

Ir supported over carbon materials for the selective hydrogenation of chloronitrobenzenes

In the present work we have studied the effect of carbon supports with different graphitic character (carbon nanotubes, mesoporous graphite and activated carbon) on the catalytic performance of iridium nanoparticles on the liquid phase chemoselective hydrogenation of para-chloronitrobenzene at room temperature. The effect of the oxygen groups was also evaluated by oxidizing a portion of the carbon nanotubes. The Raman and XRD spectra showed that the mesoporous graphite displayed the strongest graphitic character. The characterization of the catalysts by HR-TEM, XPS and TPR-H2, showed that the catalysts had similar particle size and that the catalysts prepared over the previously oxidized support, Ir/CNTox, was not fully reduced. The activity and selectivity achieved with the catalyst Ir/CNT was the best among the samples and the presence of irdium oxide on Ir/CNTox diminished the yield to p-chloroaniline, being the worse catalyst. The reactivity of different isomers was also studied over Ir/CNT and it followed the order m > o > p.

DIFFUSE-INTERFACE FIELD APPROACH TO MODELING SELF-ASSEMBLY OF HETEROGENEOUS COLLOIDAL SYSTEMS AND RELATED DIPOLE-DIPOLE INTERACTION PHENOMENA

Colloid self-assembly under external control is a new route to fabrication of advanced materials with novel microstructures and appealing functionalities. The kinetic processes of colloidal self-assembly have attracted great interests also because they are similar to many atomic level kinetic processes of materials. In the past decades, rapid technological progresses have been achieved on producing shape-anisotropic, patchy, core-shell structured particles and particles with electric/magnetic charges/dipoles, which greatly enriched the self-assembled structures. Multi-phase carrier liquids offer new route to controlling colloidal self-assembly. Therefore, heterogeneity is the essential characteristics of colloid system, while so far there still lacks a model that is able to efficiently incorporate these possible heterogeneities. This thesis is mainly devoted to development of a model and computational study on the complex colloid system through a diffuse-interface field approach (DIFA), recently developed by Wang et al. This meso-scale model is able to describe arbitrary particle shape and arbitrary charge/dipole distribution on the surface or body of particles. Within the framework of DIFA, a Gibbs-Duhem-type formula is introduced to treat Laplace pressure in multi-liquid-phase colloidal system and it obeys Young-Laplace equation. The model is thus capable to quantitatively study important capillarity related phenomena. Extensive computer simulations are performed to study the fundamental behavior of heterogeneous colloidal system. The role of Laplace pressure is revealed in determining the mechanical equilibrium of shape-anisotropic particles at fluid interfaces. In particular, it is found that the Laplace pressure plays a critical role in maintaining the stability of capillary bridges between close particles, which sheds light on a novel route to in situ firming compact but fragile colloidal microstructures via capillary bridges. Simulation results also show that competition between like-charge repulsion, dipole-dipole interaction and Brownian motion dictates the degree of aggregation of heterogeneously charged particles. Assembly and alignment of particles with magnetic dipoles under external field is studied. Finally, extended studies on the role of dipole-dipole interaction are performed for ferromagnetic and ferroelectric domain phenomena. The results reveal that the internal field generated by dipoles competes with external field to determine the dipole-domain evolution in ferroic materials.