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    Process Improvement and Economic and Environmental Evaluation of Bio-Hydrogenated Diesel Production from Refined Bleached Deodorized Palm Oil
    (2025-01-01) ;
    Simasatitkul, Lida
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    Yooyen, Kanokporn
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    Amornraksa, Suksun
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    Assabumrungrat, Suttichai
    The co-production of BHD with other renewable fuels (i.e., using a novel process involving carbon dioxide utilization to achieve the global sustainability goal) is presented. The three configurations of BHD production from refined bleached deodorized palm oil (RBDPO), including (1) the conventional BHD process with hydrogen recovery (BHD process), (2) the BHD process coupled with the Fischer–Tropsch process (BHD-FT process), and (3) the BHD process coupled with the bio-jet fuel and methanol processes (BHD-BIOJET-MEOH process) are investigated using the process model developed in Aspen Plus. The effect of the operating parameters is studied, and the condition of each process offering the highest BHD yield is proposed. Then, the pinch analysis and heat exchanger network (HEN) design of each proposed process are performed to find the highest energy-efficient configuration. The economic and environmental analysis is later performed to investigate the sustainability performance of each configuration. The conventional BHD process requires less hydrogen and consumes less energy than the others. The BHD-BIOJET-MEOH process is the most economically feasible, offering the highest net present value (NPV) of USD 7.93 million and the shortest payback period of 3 years and 1 month. However, it offers the highest carbon footprint of 0.820 kgCO<inf>2</inf> eq./kg of BHD, and it presented the highest potential environmental impact (PEI) in all categories.
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    Water influence on the kinetics of transesterification using CaO catalyst to produce biodiesel
    (2021-07-15)
    Anantapinitwatna, Ajala
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    Ngaosuwan, Kanokwan
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    Kiatkittipong, Worapon
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    Wongsawaeng, Doonyapong
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    This research investigated the water influence on biodiesel production via transesterification, and especially on their kinetic parameters. The initial rate of transesterification was increased with increasing amount of water (0–5 wt%). On the contrary, the initial rate was significantly reduced for the water concentration of 8–15 wt%. Moreover, when the biodiesel yield reached the maximum value of 30–40%, saponification as a side reaction became more significant with the presence of the emulsion phase, resulting in a remarkable decrease in biodiesel yield. The simple kinetic model including the rate constant and apparent activation energy revealed that transesterification containing 5 wt% water gave the higher rate constant compared to the case with the absence of water. However, the simple model could not describe the case with high water content. The water effect should be accounted for in the reaction rate in the adsorption term. The modified Langmuir-Hinshelwood kinetic model including the effects of water contamination was originally proposed. Our finding suggested that despite the small amount of water content in transesterification using CaO catalyst giving rise in the initial rate, the water contamination in feedstocks for biodiesel production should be avoided because of the notable presence of saponification.
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    A machine learning approach for predicting osmotic coefficients and deriving activity coefficients in alkyl ammonium salts
    (2026-12-01) ; ;
    Saengsuradech, S.
    ;
    Nukaew, A.
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    Simasatitkul, L.
    Quaternary Ammonium Salts (Quats) have diverse applications across various domains. They are extensively used as phase-transfer catalysts (PTCs) in chemical reactions, facilitating the transfer of reactants between aqueous and organic phases. Their unique structure enables the formation of ion pairs, enhancing reaction rates at phase boundaries. This research develops a novel method for predicting Quats’ osmotic coefficients using Simplified Molecular Input Line Entry System (SMILES) notation and supervised machine learning. A comprehensive dataset of 1,654 data points from 52 distinct Quats was compiled. The structural characteristics were encoded using SMILES notation. The data was evaluated using random splitting and Leave-One-Group-Out (LOGO) validation to train seven machine learning algorithms. Gaussian Process (GP) emerged as the optimal algorithm. The GP model achieved a mean absolute percentage error (MAPE) of 5.29% and root mean square error (RMSE) of 0.034. Comparisons with Electrolyte-NRTL and Extended UNIQUAC models demonstrate that this data-driven approach offers competitive accuracy while enabling generalization to structurally similar compounds. This work marks a significant starting point for the machine learning-enhanced prediction of activity coefficients, with considerable potential for future refinement and application.
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    Complete design case study for pulp and paper industry
    (2022-01-01) ;
    Charoensuppanimit, Pongtorn
    ;
    Mongkhonsiri, Ghochapon
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    Gani, Rafiqul
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    Assabumrungrat, Suttichai
    Pulp and paper industry is a traditional biorefinery system that produces low margin paper products at low innovation development. It needs business transformation to enhance profitability along with efficient material and energy consumption through process development of high-value bioproducts. In response to climate change concerns and declining petroleum resources, the concept of biorefinery has developed using biochemical and thermochemical technologies. To develop biorefinery together with the conventional pulp and paper industry, integrated biorefinery in the existing pulp mill has been designed as a long-term sustainable solution. A systematic framework is needed to synthesize and design promising integrated systems from numerous alternatives. A three-level methodology, involving Level-1 Base Case Design, Level-2 Optimization and Analysis, and Level-3 Innovation, is proposed as an effective approach to determine optimal technologies suitable for the transformation of the traditional system through superstructure optimization, process analysis, and process improvement in terms of economic and environmental issues. To achieve a sustainable development of the integrated biorefinery system, innovative alternatives are discovered to satisfy improvement targets. Computer-aided tools are employed to support systematic data collection, mathematical model formulation, and complicated problem solving. Case studies of synthesis, design and innovation tasks illustrating the application of the framework to obtain promising integrated pulp mill-biorefinery alternatives are presented.
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    Novel method for predicting the cracks of oxide scales during high temperature oxidation of metals and alloys by using machine learning
    (2025-12-01) ;
    Promchan, Teeratat
    ;
    Rojsanga, Jularak
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    Chandra-ambhorn, Somrerk
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    Nilsonthi, Thanasak
    Material degradation is one of the main problems in various high-temperature processes, directly resulting in the failure of the material. Crack and protective oxide film spallation caused either by mechanical stress development in the oxidation process or thermal stress due to a mismatch of the thermal expansions of the formed oxide and alloy are common forms of failure in high-temperature processes. Typically, the Pilling-Bedworth ratio (PBR) is employed to predict crack and spallation of the oxide by determining the volume changes of oxide and alloy because of its simplicity. However, this approach provides poor crack and spallation predictions. Hence, machine learning was adopted in the present work to predict oxide formation and spallation in the temperature range of 600-1,200 °C. The inputs for the present developed model were alloy compositions, oxide formed during oxidation, and oxidation conditions and periods. Furthermore, the predicted results of the present developed machine learning model were compared to those obtained by the PBR method. The present results revealed that the accuracy of the oxide spallation prediction of the present model was better than that of the PBR method. The random forest with 15 estimators was the best machine learning model. Finally, it can be concluded that the machine learning model is essential for accurate material failure prediction.
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    Perspectives, challenges and future directions
    (2022-01-01)
    Thongchul, Nuttha
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    Charoensuppanimit, Pongtorn
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    Gani, Rafiqul
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    Assabumrungrat, Suttichai
    As discussed extensively in this book, biorefinery is perceived as a promising platform for the sustainable conversion of biomass into a variety of value-added products. As a result of attempts to replace a nonrenewable feedstock with renewable biomass, the technological advances in biorefineries have been immense in recent years. However, the commercialization of biorefineries currently face challenges from various directions, such as the availability of feedstock, the competitiveness of bio-based products, the processing technologies and unit operations, as well as methods and associated computer-aided tools for the synthesis and design of biorefinery processes. To facilitate readers’ insight, crucial elements are summarized in this chapter for each issue in terms of the current situation, the challenges, and the anticipated future developments.
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    Novel method for properties prediction of pure organic compounds using machine learning
    (2021-01-01)
    Chorbngam, Nattasinee
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    ;
    In classical thermodynamic, the estimation method of pure compounds properties was based on Newtonian physics, which required experimental data. It is proven to be inadequate for the growing demand of the novel chemical synthesis. There were several studies on the prediction of the pure compound properties based on QSPR methods. However, the conventional group-contribution based methods predictive capability was limited by the available measured data. Therefore, this study aims to approach the property prediction with a novel statistical-based method. The proposed method is derived using supervised machine learning algorithms. The experimental data used to train and validate the models were collected from the published literature. These data set are composed of the alkanes, alkenes, and alkynes derivatives containing 1-12 carbon atoms. The results show the improved accuracy of the model prediction compare to the conventional method in terms of root mean square error (RMSE) and mean absolute percentage error (MAPE).
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    Process development of sustainable biorefinery system integrated into the existing pulping process
    (2020-05-10)
    Mongkhonsiri, Ghochapon
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    Charoensuppanimit, Pongtorn
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    Gani, Rafiqul
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    Assabumrungrat, Suttichai
    The change of paper consumption trend may jeopardize the future of pulp and paper industry. This work aims to design and develop the integrated network of biochemical and biofuel productions into existing pulp mills for sustainable purposes. The systematic methodology aided by computation tools is undertaken using the three-stage approach including process synthesis, design and innovation. Previously, the optimal technologies of the biorefinery-integrated pulping processes were successfully determined in the synthesis stage providing the highest cost-effective incorporation; 48 million USD/year of profit was estimated according to the integration of succinic acid and dimethyl ether productions into the soda pulping process. Herein, the process designs of the integrated processes were performed followed by evaluations of the process performances and identifications of the hot spots and targets for establishments of the innovations. In this work, the biomass gasification option is designed and implemented to enhance the material and energy utilizations in the previously determined biorefinery-integrated pulping processes. Electricity and biofuel are produced and sold, which contributes positively to the economic and environmental impacts of these processes. The hot spots and targets are subsequently identified prior to the innovation stage. According to this stage, the cleaner alternatives that implements the CO<inf>2</inf> utilization via methanol synthesis and solar cell installations are selected in order to minimize the CO<inf>2</inf> emission. A net CO<inf>2</inf> reduction of 42% is achieved when the cleaner alternatives are applied. Accordingly, these biorefinery-integrated innovations are not only conducive to the enhanced sustainability of existing pulp mills but also adaptive in response to the change of paper consumption trend.
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    Integration of Genetic Algorithm with Machine Learning for Properties Prediction
    (2025-01-01) ; ;
    Amornratthamrong, Nalin
    ;
    Arunchaipong, Run
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    Numerous studies have demonstrated that machine learning (ML) provides more accurate estimations of properties for oxygenated organic derivatives compared to the conventional Quantitative Structure-Property Relationship (QSPR) method. Consequently, ML’s predictive capabilities have been extended to encompass a broader range of properties, including Partition Coefficient, Boiling Point, and Solubility, among others, for oxygenated hydrocarbon derivatives. Algorithms such as Linear Regression, Support Vector Machine, Random Forest, and Gaussian Process are selected through trial-and-error to identify the most suitable approach. The models are trained and validated using experimental data from published literature. Despite the accuracy of these property predictions, they have limited practical utility in industry, where specific property ranges are essential for processes. To address this, Genetic Algorithms (GA) are employed to design chemical compounds that meet industrial requirements. Integrating GA with ML could yield alternative chemical compounds, enhancing overall production processes by increasing economic potential, sustainability, and reducing environmental impact.
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    Comparative CFD modeling of foam and conventional pellet catalysts in glycerol steam reforming
    (2025-07-15)
    Simasatitkul, Lida
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    Phitchayakorn, Chattharika
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    Amornraksa, Suksun
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    Assabumrungrat, Suttichai
    A novel approach to glycerol valorization via steam reforming was investigated through computational fluid dynamics (CFD) modelling. The performance characteristics of conventional pellet catalysts were compared with foam catalysts in a 6-inch diameter packed bed reactor. A two-dimensional pseudo-homogeneous steady-state model was employed to evaluate catalyst configurations ranging from 10 to 30 pores per inch (PPI). The foam catalyst structures exhibited superior performance across key metrics, achieving maximum hydrogen yield (60 %) at one-third of the reactor length whilst reducing pressure drop by 95 % compared to conventional pellets. Within the foam configurations, the 10PPI variant demonstrated optimal performance characteristics, with an 80 % reduction in normalized pressure drop compared to 30PPI, whilst maintaining comparable product yields. The enhanced performance was attributed to the open-cell architecture, which facilitated improved mass transfer and reduced diffusion limitations. These findings suggest that foam catalysts represent a promising alternative to conventional pellet configurations for glycerol steam reforming processes.