Search Results - "Santana, Vinicius V."
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1
Using scientific machine learning to develop universal differential equation for multicomponent adsorption separation systems
Published in Canadian journal of chemical engineering (01-09-2022)“…Universal differential equations are a concept in scientific machine learning that leverages the potential of the universal approximator theorem and the…”
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2
A First Approach towards Adsorption-Oriented Physics-Informed Neural Networks: Monoclonal Antibody Adsorption Performance on an Ion-Exchange Column as a Case Study
Published in ChemEngineering (01-03-2022)“…Adsorption systems are characterized by challenging behavior to simulate any numerical method. A novel field of study emerged within the numerical method in…”
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3
Ethylene Purification by Pressure Swing Adsorption with the Paraffin Selective Metal–Organic FrameworkDUT‑8
Published in Industrial & engineering chemistry research (07-02-2024)“…Finding ways to separate olefins and paraffin more efficiently has motivated the development of improved adsorbents for adsorption-based separations. Recently,…”
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4
Transfer Learning Approach to Develop Natural Molecules with Specific Flavor Requirements
Published in Industrial & engineering chemistry research (14-06-2023)“…In the past decades, the flavor industry’s investment in research and development has increased to take innovative steps. Meanwhile, the lack of information…”
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5
A novel nested loop optimization problem based on deep neural networks and feasible operation regions definition for simultaneous material screening and process optimization
Published in Chemical engineering research & design (01-04-2022)“…•Material screening and simultaneous processes optimization.•Deep learning neural networks providing deep insights about the process behavior.•A nested loop is…”
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6
Abnormal Operation Tracking through Big-Data-Based Gram–Schmidt Orthogonalization: Production of n‑Propyl Propionate in a Simulated Moving-Bed Reactor: A Case Study
Published in Industrial & engineering chemistry research (17-03-2021)“…Big Data Analytics plays a crucial role in Industry 4.0 by offering tools to improve the decision-making process. These tools comprise data management…”
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7
A framework for predicting odor threshold values of perfumes by scientific machine learning and transfer learning
Published in Heliyon (01-10-2023)“…Knowledge of odor thresholds is very important for the perfume industry. Due to the difficulty associated with measuring odor thresholds, empirical models…”
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8
Generating Flavor Molecules Using Scientific Machine Learning
Published in ACS omega (28-03-2023)“…Flavor is an essential component in the development of numerous products in the market. The increasing consumption of processed and fast food and healthy…”
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A Reinforcement Learning Framework to Discover Natural Flavor Molecules
Published in Foods (08-03-2023)“…Flavor is the focal point in the flavor industry, which follows social tendencies and behaviors. The research and development of new flavoring agents and…”
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10
Novel Framework for Simulated Moving Bed Reactor Optimization Based on Deep Neural Network Models and Metaheuristic Optimizers: An Approach with Optimality Guarantee
Published in ACS omega (21-02-2023)“…Model-based optimization of simulated moving bed reactors (SMBRs) requires efficient solvers and significant computational power. Over the past years,…”
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11
Optimal fragrances formulation using a deep learning neural network architecture: A novel systematic approach
Published in Computers & chemical engineering (01-07-2021)“…•It was developed a systematic approach for optimal perfume design.•The strategy comprises deep learning model and a meta-heuristic optimization method.•An…”
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12
Improved modeling of crystallization processes by Universal Differential Equations
Published in Chemical engineering research & design (01-12-2023)“…Crystallization is a crucial process in the pharmaceutical industry, usually modeled by Population Balance Models (PBM). This study introduces a novel…”
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13
Molecule Generation and Optimization for Efficient Fragrance Creation
Published in Industrial & engineering chemistry research (21-08-2024)“…This research introduces a machine learning-centric approach to replicate olfactory experiences, utilizing an experimentally quantified target scent from the…”
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14
Efficient hybrid modeling and sorption model discovery for non-linear advection-diffusion-sorption systems: A systematic scientific machine learning approach
Published in Chemical engineering science (05-12-2023)“…This study presents a systematic machine learning approach for creating efficient hybrid models and discovering sorption uptake models in non-linear…”
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15
Harnessing graph neural networks to craft fragrances based on consumer feedback
Published in Computers & chemical engineering (01-06-2024)“…•Extract and utilize consumer feedback to inform molecular design.•Design and validate an AI-based molecule generator tailored for scent.•Potential reduction…”
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16
Strategies for Simulated Moving Bed Model Parameter Estimation Based on Minimal System Minimal Knowledge: Adsorption Isotherm Equation Screening and Estimability Analysis
Published in Industrial & engineering chemistry research (18-10-2023)“…The simulated moving bed (SMB) is a widely recognized technique for the resolution of several high-value-added compounds, and its mathematical modeling plays a…”
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17
Transient analysis of true/simulated moving bed reactors: A case study on the synthesis of n-Propyl propionate
Published in Computers & chemical engineering (09-06-2020)“…A potential improvement in the production route of the ester n-propyl-propionate can be done by the Simulated Moving Bed Reactor (SMBR). However, there is a…”
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18
Molecule Generation and Optimization for Efficient Fragrance Creation
Published 19-02-2024“…This research introduces a Machine Learning-centric approach to replicate olfactory experiences, validated through experimental quantification of perfume…”
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19
Efficient hybrid modeling and sorption model discovery for non-linear advection-diffusion-sorption systems: A systematic scientific machine learning approach
Published 22-03-2023“…This study presents a systematic machine learning approach for creating efficient hybrid models and discovering sorption uptake models in non-linear…”
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20
A nested loop for simultaneous model topology screening, parameters estimation, and identification of the optimal number of experiments: Application to a Simulated Moving Bed unit
Published 19-09-2022“…Simulated Moving Bed (SMB) chromatography is a well-known technique for the resolution of several high-value-added compounds. Parameters identification and…”
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