Yes / In this work, the process of ethane recovery plant was simulated for the purpose of Front End Engineering Design. The main objective is to carry out a series of simulation using Aspen HYSYS to compare recovery of ethane from Joule Thomson (JT) Valve, Turbo-Expander and Twister Technology. Twister technology offers high efficiency, more ethane recovery and lower temperature than JT valve and turbo-expander process. It lies somewhere between isenthalpic and isentropic process due to its mechanical configuration. Three processes were compared in terms of recovery of ethane. To conduct the simulations, a real gas plant composition and design data were utilized to perform the study for comparison among chosen technologies which are available for ethane recovery. The same parameters were used for the comparisons. Effect of operating conditions including pressure, temperature, and flow rate as well as carbon dioxide on the recovery of ethane was examined.

Made available in DSpace on 2014-06-12T18:04:23Z (GMT). No. of bitstreams: 2 arquivo213_1.pdf: 4056030 bytes, checksum: c7d78e098b753c3c2b6ce96fc5f9588a (MD5) license.txt: 1748 bytes, checksum: 8a4605be74aa9ea9d79846c1fba20a33 (MD5) Previous issue date: 2011 / Universidade Federal de Pernambuco / Nos últimos anos o biodiesel se tornou uma alternativa para a demanda crescente de combustível. O próximo passo é conseguir produzir um biodiesel economicamente competitivo com o diesel fóssil em um processo em nível industrial. Este trabalho visa estudar do ponto de vista computacional, uma planta piloto de biodiesel, simulando o processo desde a reação de transesterificação de óleos vegetais, chegando até a purificação do biodiesel, utilizando o APEN/HYSYS. Além disso, foi feito o estudo da viabilidade econômica preliminar da mesma, fazendo-se uso do custo anualizado total unitário CATU. Os resultados das simulações foram comparados com os resultados obtidos numa planta piloto montada em Pernambuco/Brasil. Em seguida, foi comparada a viabilidade econômica da planta piloto, com uma planta operando com uma coluna de destilação reativa para produção do referido combustível. Os resultados mostraram que a destilação reativa é um processo mais econômico para a produção do biodiesel do que em um processo em batelada

Yes / This investigation reports the first study to predict natural gas hydrate formation using both Aspen HYSYS® and HydraFlash software for various gas compositions and thermodynamic inhibitors (monoethylene glycol [MEG] concentrations at 10, 20, 30, and 40 wt.% and methanol concentrations at 10 and 20 wt.%). The simulated predictions are compared with the results of the experimental data in the literature. It has been shown that HydraFlash software can accurately predict hydrate formation conditions for a given industrial case, without having to carry out costly experimental work. This work also evaluated the effect of inhibitors and it appears that inhibitor type and concentration are determined according to condition of gas composition. MEG is consequently selected as the most ideal hydrate inhibitor for the industrial case. This also was confirmed through COSMO-RS studies in which the sigma profile and sigma potential of the considered inhibitors were obtained and presented using density functional (DFT) calculations to verify the hydrogen bonding affinities of the inhibitors to water molecules. HydraFlash was utilized to predict the dissociation conditions of hydrates under the influence of a high concentration of MEG inhibition, reaching up to 40 wt.% at 313 K and a pressure of 311.1 bar. Finally, it is shown that both software packages are quite accurate and useful tools for the prediction of hydrate for simple systems. However, HydraFlash can simulate more complex systems, including different types of salts at higher pressures. Investigation results indicate insightful guidance for accurately predicting hydrate dissociation under simulated conditions. / The authors would also like to thank the Turkish National Agency for offering an Erasmus student grant for Mr. Nejmi Söyler under the Erasmus+ Program Action 1 throughout the training period.

Yes / The deodorization of the refined palm oil process is simulated here using ASPEN HYSYS. In the absence of a library molecular distillation (MD) process in ASPEN HYSYS, first, a single flash vessel is considered to represent a falling film MD process which is simulated for a binary system taken from the literature and the model predictions are compared with the published work based on ASPEN PLUS and DISMOL. Second, the developed MD process is extended to simulate the deodorization process. Parameter estimation technique is used to estimate the Antoine’s parameters based on literature data to calculate the pure component vapor pressure. The model predictions are then validated against the patented results of refining edible oil rich in natural carotenes and vitamin E and simulation results were found to be in good agreement, within a 2% error of the patented results. Third, Response Surface Methodology (RSM) is employed to develop non-linear second-order polynomial equations based model for the deodorization process and the effects of various operating parameters on the performance of the process are studied. Finally, an optimization framework is developed to maximize the concentration of beta-carotene, tocopherol and free fatty acid while optimizing the feed flow rate, temperature and pressure subject to process constrains. The optimum results of feed flow rate, temperature, and pressure were determined as 1291 kg/h, 147 C and 0.0007 kPa respectively, and the concentration responses of beta- carotene, tocopherol and free fatty acid were found to be 0.000575, 0.000937 and 0.999840 respectively. / Prince of Songkla University, Songkhla, Thailand for providing financial support (Grant code: PSU2554-022)

Yes / A simulation was conducted using Aspen HYSYS® software for an industrial scale condensate stabilization unit and the results of the product composition from the simulation were compared with the plant data. The results were also compared to the results obtained using PRO/II software. It was found that the simulation is closely matched with the plant data and in particular for medium range hydrocarbons. The effects of four process conditions, i.e. feed flow rate, temperature, pressure and reboiler temperature on the product Reid Vapour Pressure (RVP) and sulphur content were also studied. The operating conditions which gave rise to the production of off-specification condensate were found. It was found that at a column pressure of 8.5 barg and reboiler temperature of 180°C, the condensate is successfully stabilised to a RVP of 60.6 kPa (8.78 psia). It is also found that as compared to the other parameters the reboiler temperature is the most influential parameter control the product properties. Among the all sulphur contents in the feed, nP-Mercaptan played a dominant role for the finishing product in terms of sulphur contents.

Yes / A simulation was conducted using Aspen HYSYS® software for an industrial scale condensate stabilization unit and the results of the product composition from the simulation were compared with the plant data. The results were also compared to the results obtained using PRO/II software. The results show that the simulation is in good agreement with the plant data, especially for medium range hydrocarbons. For hydrocarbons lighter than C5, the simulation results over predict the plant data while for hydrocarbons heavier than C9 this trend is reversed. The influences of steam temperature and pressure, as well as feed conditions (flow rate, temperature and pressure) for the product specification (RVP and sulphur content) were also investigated. It was reported that the operating conditions gave rise to the production of off-specification condensate and it was also found that the unit could be utilized within 40–110% of its normal throughput without altering equipment sizing and by the operating parameters.

Submitted by Cássio da Cruz Nogueira (cassionogueirakk@gmail.com) on 2017-02-13T14:55:17Z No. of bitstreams: 2 license_rdf: 0 bytes, checksum: d41d8cd98f00b204e9800998ecf8427e (MD5) Dissertacao_ModelagemSimulacaoProcessos.pdf: 2691666 bytes, checksum: 7d7b152f8bdd96c51cda9787a6d9a5e0 (MD5) / Approved for entry into archive by Edisangela Bastos (edisangela@ufpa.br) on 2017-02-15T15:00:28Z (GMT) No. of bitstreams: 2 license_rdf: 0 bytes, checksum: d41d8cd98f00b204e9800998ecf8427e (MD5) Dissertacao_ModelagemSimulacaoProcessos.pdf: 2691666 bytes, checksum: 7d7b152f8bdd96c51cda9787a6d9a5e0 (MD5) / Made available in DSpace on 2017-02-15T15:00:28Z (GMT). No. of bitstreams: 2 license_rdf: 0 bytes, checksum: d41d8cd98f00b204e9800998ecf8427e (MD5) Dissertacao_ModelagemSimulacaoProcessos.pdf: 2691666 bytes, checksum: 7d7b152f8bdd96c51cda9787a6d9a5e0 (MD5) Previous issue date: 2014 / CAPES - Coordenação de Aperfeiçoamento de Pessoal de Nível Superior / Neste trabalho, foi elaborada uma base de dados de parâmetros de interação binária de diferentes regras de mistura, para as equações de estado de Soave-Redlich-Kwong (SRK) e Peng-Robinson (PR), a partir de dados experimentais de sistemas binários e multicomponentes de hidrocarbonetos, N2, CO2, água, β-caroteno, etanol, acetona e metanol, com objetivo de aplicar em simulações com o Aspen Hysys aos processos de fracionamento do gás natural em um processo de turbo-expansão simplificado; de fracionamento de óleo, gás e água, em separador trifásico, de extração com CO2 supercrítico de acetona de uma solução aquosa e de β-caroteno de uma solução aquosa, em coluna de multiestágios em contracorrente. De modo geral, não ocorreram diferenças significativas na predição do equilibro de fases dos sistemas binários estudados, para ambas as equações, com as regras de mistura quadrática, Mathias-Klotz-Prausnitz (MKP) com dois e três parâmetros. Cabe destacar que a regra de mistura MKP com 3 parâmetros de interação binária apresentou os menores erros absolutos para os sistemas binários de hidrocarbonetos e CO2/ hidrocarbonetos. Para os ajustes de dados de equilíbrio dos sistemas multicomponentes de hidrocarbonetos, a equação de SRK combinada com a regra de mistura quadrática com 2 parâmetros de interação binária, foi a que apresentou os menores erros médios para os sistemas ternários e para o sistema com 5 componentes em ambas as fases. No estudo de caso do separador trifásico a equação de SRK com a regra de mistura RK-Aspen foi a que apresentou a maior separação da fase aquosa de todas as simulações (285,68 kg/h) contra 256,88 kg/h para a equação SRK, 249,81 kg/h para a equação PR e 152,90 kg/h para a equação PRSV, confirmando a grande influência do uso da matriz de parâmetros de interação binária determinada neste trabalho, com destaque para os parâmetros que representam as interações entre os hidrocarbonetos com a água. Os resultados das simulações com a planta simplificada de turbo-expansão estão de acordo com a análise descrita na literatura, apresentando as seguintes taxas de recuperação de etano: 84,045% para PRSV, 84,042% para SRK, 84,039% para TST e PR e 83,98% para RKAspen. O produto final da simulação publicada na literatura para o fracionamento de uma solução aquosa de acetona utilizando o processo de extração com CO2 supercrítico consistiu na corrente de saída do fundo da coluna de destilação a 65 atm (6586 kPa), com uma composição de 67,67 % de CO2 (74,3 kg/h), 31,11% de acetona (34,15 kg/h) e 1,21% (1,33 kg/h) de água em base mássica. Na simulação com o Aspen Hysys a corrente de saída da coluna de destilação foi submetida a um conjunto de separadores flash para a separação do CO2 atingindo a recuperação de 27 kg/h de acetona em três correntes (11,14 e 15) com menos de 5 kg/h residuais de CO2 e 0,8 kg/h de água. O fracionamento da solução aquosa de β- caroteno foi simulado com o Aspen Hysys, com uma coluna de múltiplos estágios em contracorrente e um separador flash vertical para a separação do CO2. As simulações convergiram com, no mínimo, cinco estágios. Foi obtida uma corrente de fundo (produto) do separador flash com 97,83% de β-caroteno contra 89,95% em massa, para a simulação de um extrator de um único estágio publicada na literatura. / The purpose of this work was to elaborate a database of binary interaction parameters of different mixing rules, for the Soave-Redlich-Kwong (SRK) and Peng-Robinson (PR) equations of state, using experimental data of binary and multicomponent systems of hydrocarbons, N2, CO2, water, β-carotene, ethanol, acetone and methanol, in order to apply in simulations with the Aspen Hysys fractionation processes, of natural gas into a simplified turbo-expansion process; fractionation of oil, gas and water, in three-phase separator, supercritical CO2 extraction of acetone from an aqueous solution and β-carotene from an aqueous solution in multistage countercurrent column. In general, there were no significant differences, to both equations, in the phase equilibrium prediction of the binary systems studied, between the quadratic and Mathias-Klotz-Prausnitz (MKP) mixing rules with two and three parameters. It is worth mentioning that the MKP mixing rule with 3 binary interaction parameters presented the smallest absolute errors for hydrocarbon binary systems and CO2/hydrocarbons systems. For the settings of hydrocarbons phase equilibrium multicomponent systems data, the SRK equation combined with quadratic mixture rule with 2 binary interaction parameters, was presented the lowest average errors for ternary systems and for system with 5 components in both phases. In the case study of three-phase separator the SRK equation with the mixing rule RK-Aspen was the one that presented the greater separation of the aqueous phase of all simulations (285.68 kg/h) against 256.88 kg/h to the SRK equation, 249.81 kg/h for the PR equation and 152.90 kg/h to PRSV equation, confirming the great influence of the use the binary interaction parameters matrix determined in this work, with emphasis on the parameters that represent the interactions between the hydrocarbons with water. The results of the simulations with the simplified plant turboexpansion are according to the analysis described in the literature showing the following recovery rates of ethane: 84.045% to PRSV, 84.042% for SRK, 84.039% for TST and PR and 83.98% for RK-Aspen. The final product of the simulation published in the literature for the fractionation of an aqueous solution of acetone by using supercritical CO2 extraction process consisted in the output current from the bottom of the distillation column at 65 atm (6586 kPa), with a composition of 67.67% CO2 (74.3 kg/h), 31.11% of acetone (34.15 kg/h) and 1.21% (1.33 kg/h) of water in mass base. In the simulation with Aspen Hysys the output current of the distillation column was subjected to a set of flash separators for separation of CO2 reaching the recovery of 27 kg/h of acetone in three currents (11.14 and 15) with less than 5 kg/h CO2 waste and 0.8 kg/h of water. The fractionation of aqueous solution of β- carotene was simulated with the Aspen Hysys, with a multistage countercurrent column and a vertical flash separator for separation of CO2. The simulations have converged with a minimum of five stages. It was retrieved from an underflow (product) flash separator with 97.83% of β-carotene against 89.95% by mass for the simulation of an extractor of a single stage published in the literature.

Submitted by Maria Medeiros (maria.dilva1@ufcg.edu.br) on 2018-10-16T12:44:41Z No. of bitstreams: 1 THALITA CRISTINE RIBEIRO LUCAS FERNANDES - DISSERTAÇÃO (PPGEQ) 2017.pdf: 3155230 bytes, checksum: 29997db242a362fb2a65ffda6fcf8ba0 (MD5) / Made available in DSpace on 2018-10-16T12:44:41Z (GMT). No. of bitstreams: 1 THALITA CRISTINE RIBEIRO LUCAS FERNANDES - DISSERTAÇÃO (PPGEQ) 2017.pdf: 3155230 bytes, checksum: 29997db242a362fb2a65ffda6fcf8ba0 (MD5) Previous issue date: 2017-09-27 / CNPq / A hidrodesnitrogenação catalítica é um processo utilizado para remover impurezas de nitrogênio em produtos derivados de petróleo e ocorre mediante o tratamento da carga com hidrogênio a temperatura e pressão elevadas em um reator do tipo tricled-bed. Para otimizar as operações nestes reatores, é necessário que se tenha informações sobre a cinética das várias reações de hidrodesnitrogenação. Entretanto, as equações das taxas das reações não estão disponíveis na literatura. Assim, o objetivo deste trabalho consiste em obter as equações das taxas das reações e os parâmetros cinéticos para a rede reacional dos compostos nitrogenados utilizando o modelo rigoroso de hidrodesnitrogenação do Aspen Hysys como base numérica para as simulações. Experimentos numéricos foram realizados em um reator diferencial no software Aspen Hysys para obter dados de concentração de reagentes e produtos a diferentes alimentações. Diferentes métodos foram utilizados, um método de regressão linear multivariável para obtenção dos coeficientes de regressão, um método de metamodelagem interpoladora estocástica, o Kriging e a otimização do metamodelo Kriging utilizando o método dos mínimos quadrados. Para testar as metodologias propostas, todas as etapas foram aplicadas para um sistema de duas reações simples, uma reversível e outra irreversível, em um reator PFR. Os resultados referentes ao método de regressão linear mostraram que a metodologia pode ser utilizada para estimar parâmetros cinéticos desde que se conheça a equação da taxa correspondente. A comparação entre os dois métodos do tipo Kriging propostos (convencional e otimizado) foi feita a partir de técnicas de análise estatísticas, como o coeficiente de determinação R² e análise de variância (ANOVA). O kriging otimizado mostrou uma melhor aderência aos dados quando comparado com o kriging convencional. / Catalytic hydrodenitrogenation is one process used to remove nitrogen impurities from refinery streams, and it occurs by reacting a given charge with hydrogen at high temperature and pressure in a trickled-bed reactor. In order to optimize the operation of such reactors one needs information about the kinetics of the various hydrodenitrogenation reactions. However, reaction rate expressions are not available in the open literature. Therefore, this work aims at obtaining the reaction rate expressions and parameters for the reaction network of nitrogen compounds using the rigorous hydrodenitrogenation model in Aspen Hysys as the numerical basis for simulations. A differential reactor to simulate the process for different feed streams generated data to estimate of concentration of reagent and products at different feed loads. Three different methods were used, a multivariable linear regression model to obtain the regression coefficients, a stochastic interpolator metamodeling, Kriging and an optimized Kriging with least square method. In a first step, two simple reactions rates were used to test the methodologies in a reactor PFR in Hysys, a reversible and an irreversible. The results showed that linear regression might be use to estimate parameters satisfactory only if you know the reaction rate expression. By using statistical analysis as determination coefficient R² and analyze of variance, ANOVA, it was possible to compare both Krigings (conventional and optimized). Optimized Kriging showed a better adherence to the data when compared to conventional kriging.

Yes / Crude oil is an unrefined petroleum composed of wide range of hydrocarbon up to n‐C40+. However, there are also a percentage of light hydrocarbon components present in the mixture. Therefore, to avoid their flashing for safe storage and transportation, the live crude needs to be stabilized beforehand. This paper aims to find the suitable operating conditions to stabilize an incoming live crude feed to maximum true vapor pressure (TVPs) of 12 psia (82.7 kPa) at Terengganu Crude Oil Terminal, Malaysia. The simulation of the process has been conducted by using Aspen HYSYS. The obtained results illustrate that the simulation data are in good agreement with the plant data and in particular for the heavier hydrocarbons. For the lighter components, the simulation results overpredict the plant data, whereas for the heavier components, this trend is reversed. It was found that at the outlet temperature (85–90°C) of hot oil to crude heat exchanger (HX‐220X), the high‐pressure separator (V‐220 A/B) and the low‐pressure separator (V‐230 A/B) had operating pressures of (400–592 kPa) and (165–186 kPa), respectively, and the live crude was successfully stabilized to a TVP of less than 12 psia. The impact of main variables, that is, inlet feed properties, three‐phase separators operating pressure, and preheater train's performance on the product TVP, are also studied. Based on the scenarios analyzed, it can be concluded that the actual water volume (kbbl/day) has greater impact on the heat exchanger's duty; thus, incoming free water to Terengganu Crude Oil Terminal should be less than 19.5 kbbl/day (9.1 vol%) at the normal incoming crude oil flow rate of 195 (kbbl/day).

The cryogenic carbon capture™ (CCC) process provides energy- and cost-efficient carbon capture and can be configured to provide an energy storage system using an open-loop natural gas (NG) refrigeration system, which is called energy storing cryogenic carbon capture (CCC-ES™). This investigation focuses on the transient operation and especially on the dynamic response of this energy storage system and explores its efficiency, effectiveness, design, and operation. This investigation included four tasks.The first task explores the steady-state design of four different natural gas liquefaction processes simulated by Aspen HYSYS. These processes differ from traditional LNG process in that the CCC process vaporizes the LNG and the cold vapors return through the LNG heat exchangers, exchanging sensible heat with the incoming flows. The comparisons include costs and energy performance with individually optimized processes, each operating at three operating conditions: energy storage, energy recovery, and balanced operation. The second task examines steady-state and transient models and optimization of natural gas liquefaction using Aspen HYSYS. Steady-state exergy and heat exchanger efficiency analyses characterize the performance of several potential systems. Transient analyses of the optimal steady-state model produced most of the results discussed here. The third task explores transient Aspen HYSYS modeling and optimization of two natural gas liquefaction processes and identifies the rate-limiting process components during load variations. Novel flowrate variations included in this investigation drive transient responses of all units, especially compressors and heat exchangers. Model-predictive controls (MPC) effectively manages such heat exchangers and compares favorably with results using traditional controls. The last task shows how an unprocessed natural gas (NG) pretreatment system can remove more than 90% of the CO2 from NG with CCC technology using Aspen Plus simulations and experimental data. This task shows how CCC-based technology can treat NG streams to prepare them for LNG use. Data from an experimental bench-scale apparatus verify simulation results. Simulated results on carbon (CO2) capture qualitatively and quantitatively agree with experimental results as a function of feedstock properties.