Works developed

Here are listed some of the works developed throughout the years, publications, and ideas for new ones. Get in touch if you are interested in working together on any topic.

Topics Summary:
1. CO₂ Capture and Utilization
2. Environment and Sustainability
3. Computational Fluid Dynamics (CFD)
4. Building Statistical Models
5. Teaching and Learning

1. CO₂ Capture and Utilization

According to the Intergovernmental Panel on Climate Change (IPCC), the Earth's average temperature has risen 1.1 °C since the Industrial Revolution, and, in the best-case scenario, it is expected to warm by 1.5 °C in the next two decades. Hence, this increases the likelihood of adverse events such as prolonged droughts, occasional floods, more extreme temperatures, and a more intense water cycle, thus damaging food production and aggravating human health.

Carbon dioxide (CO₂) is one of the leading greenhouse gases due to its higher emission compared to other gases. Hence, its capture technology has advanced significantly, supported by the Conference of the Parties (COP), to mitigate climate change. Several technologies are available for capturing or separating CO₂ from a gas, such as physical or chemical absorption, adsorption (physical or chemical), cryogenic method, and membrane separation.

1.1 Project Ideas

I. Desorption Process Intensification
Chemical absorption using amine solvents is the most mature technology and the most applied technology in industrial processes to reduce CO₂ emissions. The drawback is the high energy required for solvent regeneration, mainly due to solvents with high absorption rates having slow desorption rates. In this way, we seek ways to intensify the CO₂ desorption process using alternative methods to the pure heating of the solution, such as microwave heating, ultrasound intensification, solar heating, and entrainment distillation.

II. CO₂ Adsorption Process
Geological sequestration is the most frequent final destination for CO₂ after capture. Essentially, the gas is stored in underground reservoirs. Some geological sites are natural, such as caves with porous rocks or artificial ones filled with materials that increase gas retention by adsorption. A CO₂ adsorption apparatus is being constructed, and adsorbents are also being researched, to test these reservoirs.
The adsorbents investigated uses waste materials such as peels, food scraps (biomass), and other materials that would typically be thrown away. Bio-charcoals make the process more affordable and environmentally friendly than using MOFs.

III. CO₂ Conversion
The captured CO₂ final destination is mostly its geological sequestration. Although this removes CO₂ from the atmosphere and contributes to softening global warming, there is no financial benefit, and eventually, there will be no more geological sites. So, turning CO₂ into a value-added product makes these processes more attractive for companies to finance and apply this type of process. Thus, it seeks to evaluate the transformation of this gas into other substances with higher commercial value, such as ethylenes and fuels, among others, for example, through electrolysis.

1.2 Publications and Previous Works

Doctoral Thesis (2022)
Post-combustion capture (PCC) with chemical absorption is the most established, prevalent, and cost-effective technology for reducing CO₂ emissions that could be implemented in already-existing industrial processes and plants. The absorbents could be ionic liquids, aqueous and non-aqueous amines, with or without the aid of a solid catalyst, and more. Compared to other technologies, amine solvents are the best known in the industry and by researchers for their superior absorption and efficiency in diluted gas, taking the lead in industrial-scale applications. Monoethanolamine (MEA) has been used industrially for over half a century to remove CO₂ due to its low cost and high absorption rate, establishing a benchmark for other CO₂ capture technologies. However, faster-absorbing amine solvents have lower desorption rates.
The drawback of this technology is the high energy demanded to regenerate the solvent, which usually occurs at boiling temperature and is directly related to the stability of the ionic compounds formed. The energy required can reach 50 % of the total energy consumed in the entire carbon sequestration process. In addition, higher temperatures lead to various problems, such as amine vaporization, device degradation, and corrosion.
In this work, the CO₂ desorption was carried out in a tray column to evaluate why multiple stages are needed since the reboiler is responsible for most of the desorption in the process.

Scientific Article - Greenhouse Gases-Science and Technology (2021)
This study evaluated the dynamic behavior of CO₂ desorption in an aqueous mixture of 2-amino-2-methyl-1-propanol (AMP) and piperazine (PZ) in a wet wall column with a film promoter. The concentrations of the components in the liquid phase were monitored online by infrared spectroscopy using a PLS model to quantify free amines, carbonated species, and total CO₂ absorbed in all its chemical forms. Different temperatures and initial solvent compositions were investigated. The net mass transfer coefficient (k_L) decreased with higher CO₂ loadings and was not significantly affected by temperature.

Undergraduate Dissertation (TCC) - CO₂ Conversion by Electrolysis (2021) (2021/Congress)
This study investigated the possibility of using electrolysis to transform CO₂ into market-value products. The solvent used was an aqueous monoethanolamine solution due to its high CO₂ absorption rate. Copper, stainless steel, and titanium electrodes were evaluated, with temperatures of 25 °C and 40 °C, and potential difference from 1.7 V to 24 V. Infrared spectroscopy (FTIR) with PLS models was used to monitor the reaction. Titanium electrodes had no electrolysis, while stainless steel and copper electrodes had a similar conversion. However, stainless steel had no corrosion during the process compared to the copper electrode. FTIR spectra show a possible bicarbonate formation in the liquid phase. Also, the solvent decomposed in both electrodes. The Baeyer test was negative, while the bromide method was positive in identifying alkenes formation from the CO₂ electrolysis.

Undergraduate Dissertation (TCC) - CO₂ Capture in a microreactor (2021) (Congress 2021)
This work studied CO₂ absorption using a microreactor and evaluated its hydrodynamics using CFD simulation. It was possible to visualize the fast absorption by the decrease and disappearance of CO₂ bubbles right at the beginning of the reactor. Through potentiometric titration and the disappearance of the bubble rate (video), the determined absorption rate was 0.18 mg/s or 5.18 kg/year. This result indicates that only 18 % of the volume of a conventional absorption column is needed to capture the same amount of CO₂ using microreactors.

Scientific Initiation (IC) - Development of a System for Characterization of a Reactive Distillation (Seminar/2020) (Congress/2020)
This work tried to predict the internal temperature of the stages of a tray column by measuring the temperature of the external wall of the column. This prediction would free the sensor inlet for sampling. It was possible to distinguish the different equilibrium temperatures by the wall with an error of 0.12 % to 1.64 % of the average measured temperature. Furthermore, the Murphree efficiency showed that the analyzed column had poor mixing in trays 3 and 4 based on a water-ethanol system.

Master Dissertation - Study of the CO₂ Desorption Process of the 2-amino-2-methyl-1-propanol and Carbonated Piperazine Mixture (2017)
The process of capturing CO₂ through chemical absorption makes it possible to reduce emissions by at least 80 %, compared to a (butane) thermoelectric power plant. The solvent regeneration can consume up to 50 % of the total energy required to capture CO₂, so the desorption was studied in a wet wall column. The infrared spectroscopy technique (FTIR) and PLS regression models were used to quantify the concentrations of the liquid phase components of the AMP-PZ-H₂O-CO₂ system. The process was carried out in four different temperature conditions and four different initial solvent compositions.

2. Environment and Sustainability

The care of the environment and sustainability is a grand challenge, that is, long-term actions and strategies that seek to balance the rational use of natural resources, and preserving the environment to guarantee means of survival for future generations. The topic is directly related to the UN's Sustainable Development Goals (SDGs). Such as providing access to clean water to communities, preventing global warming, access to clean and renewable energy, and ensuring sustainable production and consumption standards, among others.

2.1 Project Ideas

I. Production of CO₂ adsorbents from biomass and waste
After CO₂ is captured, the most common destination is geological sequestration. It consists of storing the gas in underground reservoirs. These geological sites can be natural, such as caves and regions with porous rocks, or artificial, and could be filled with materials that retain even more gases through adsorption. We seek to evaluate new adsorbents from materials that would be discarded, such as food wastes (biomass) and other residues. Produce bio-coals, making the adsorption process cheaper and more sustainable than using structures such as MOFs.

II. Circular Economy
Recycling, reuse, and recovery of wastes, process, and energy optimization, resource recovery, and product life extension, turning wastes into raw material.

III. Water treatment through solar distillation
Develop a floating structure that allows capturing water in rivers/lakes and, through distillation, produce clean water. Provide communities with access to clean water.

2.2 Publications and Previous Works

Scientific Initiation (IC) - Biochar (2022)
(under development) This work produced biochar from sugarcane bagasse and coconut husk. The pyrolysis was carried out without an inert atmosphere, yet it was possible to make a bio-activated carbon capable of capturing CO₂.

Undergraduate Dissertation (TCC) - Bioplastic as a pH indicator (2022)
(under development) This work aimed to develop a 100 % degradable bioplastic from starch. The addition of anthocyanin from cabbage in the biopolymer allowed its use as a pH indicator. The plastic could detect the pH of some foods (juices and fruits), indicating its degradation by the pH change. Also, in a moisturizing film to relieve muscle pain, losing its color at the end of the presence of glycolic extracts incorporated in the bioplastic.

Undergraduate Dissertation (TCC) - Solar Distillation as Water Treatment (2021)
This study analyzed materials to construct a low-cost floating water distillation system. Different absorbent materials were evaluated: cermet (metal-ceramic alloy), black felt (synthetic fabric), and black cotton fabric (present in clothes). The condensation structures studied were PVC film and polyester film. Cermet was the only material to reach the potable condition, reducing an initial concentration of 4400 mg/L of salts to zero. The felt and cotton fabric reduced the salts from 5600 mg/L to 1000 mg/L, that is, above the allowed for consumption. Total fecal coliforms and E. coli tested negative for water. The structure using the black felt had a value of U$ 88.61 to obtain 1 L of condensate, which is a fixed cost and does not require extra expenses with energy or recurring maintenance.

3. Computational Fluid Dynamics (CFD)

Modeling is turning a process or system into the form of mathematical and computational models. Hence, simulation is the manipulation of those models under different conditions. Simulation makes it possible to widen the view of a system, allowing it to calculate system properties that could not be measured or would be very difficult. In addition, it makes the design and analysis of systems faster and cheaper, reducing the number of experimental tests needed.

3.1 Project Ideas

I. Study of a Catalytic Reformer for the Transformation of Ethanol into Hydrogen
Hydrogen production is still very expensive and many existing production routes still use non-renewable resources. Ethanol is a Brazilian renewable fuel and has the potential for the production of green hydrogen.

II. Development/Design of Microreactors for Fine Chemistry
Carry out CFD simulations to evaluate the hydrodynamics in microreactors. Validate the simulations through microreactor prototypes and scale them up.

3.2 Publications and Previous Works

Tire Temperature Distribution during the Vulcanization Process
The thermal behavior and temperature distribution in a tire during the vulcanization process were studied using computational fluid dynamics (CFD). Joint project with the Prometeon Tire Group and the Instituto Mauá de Tecnologia Research Center.

Simulation of a distillation tray column - (2018/Congress)
This work investigated the hydrodynamic behavior of a distillation tray column using computational fluid dynamics (CFD). The results showed agreement with experimental air/water mixture flow data in the literature. The hydrodynamic conditions of an industrial column were simulated using the same methodology, in which the downcomer flooded at the designed flow rate, the same as in the actual column.

Undergraduate Dissertation (TCC) - Simulation of Distillation Tray Column using Computational Fluid Dynamics (CFD) (Congress/2015)
In the present work, a perforated tray of a distillation column was simulated using CFX from ANSYS to assess the causes of inefficiency in the industry. It was possible to predict the hydrodynamics behavior of a perforated plate, agreeing with the literature's experimental data. An industrial case study allowed for the prediction of downcomer flooding on a valve plate.

4. Building Statistical Models

With the advancement of technology and instrumentation, we are experiencing a so-called "data revolution". We measure and store a large volume of data at an enormous speed. But data need to be processed and modeled to be transformed into information. Not to say, it is information that allows us to create new knowledge and understand the world around us.

4.1 Project Ideas

I. Chemometrics
Chemometrics is the intersection of the areas: of chemistry, mathematics, statistics, and computing. It is the field that combines multivariate statistics and measurements to create qualitative and quantitative predictive models to extract information about a chemical process or system.

4.2 Publications and Previous Works

Scientific Article - Quantitative Speciation of the Liquid Phase by FTIR Spectroscopy in the System AMP-PZ-CO₂-H₂O - Química Nova (2022)
The infrared spectra of the liquid solution were used to quantify the concentration of the species: free AMP (2-amino-2-methyl-1-propanol), PZ (piperazine), carbamate, and dicarbamate of PZ, and bicarbonate. The model was built using reference values obtained by potentiometric titration rather than standard solutions since the amines used had no commercial carbamates.

Scientific Initiation (CI) - Multivariate Model for Quantification of Methanolamine and Carbonated Products (Seminar/2020) (Congress/2020)
MEA, MEAH⁺, and CO₂ were quantified using mid-infrared spectroscopy, both with and without a water background, and a PLS model. Potentiometric titration was used to achieve the reference values. The model that had the lowest RMSEP and highest R² was chosen. The MEA model had an R² of 0.99085 and an RMSEP of 1.27.

An FTIR spectroscopic study and quantification of 2-amino-2-methyl-1-propanol, piperazine and absorbed carbon dioxide in concentrated aqueous solutions - Vibrational (2018)
A single PLS model was developed to quantify the amines AMP (2-amino-2-methyl-1-propanol) and PZ (piperazine) and the total CO₂ captured in the liquid phase using the infrared spectrum of the solution. The model was based on reference values ​​obtained from potentiometric titration without using standard solutions since there are no commercial carbamates of these amines.

Study of the CO₂ Desorption Process of the Mixture 2-amino-2-methyl-1-propanol and Carbonated Piperazine (Master Dissertation/2017) (Congress/2018)
The infrared spectroscopy technique (FTIR) and PLS regression models were used to quantify the concentrations of the liquid phase components of the 2-amino-2-methyl (AMP), piperazine (PZ), water, and carbon dioxide system. The methodology applied allowed, despite not having standard solutions of carbamates and amine carbonates, that could characterize this system. Reference values ​​obtained from the potentiometric titration of the samples with hydrochloric acid were used. The models allowed the concentration quantification of the free amines (AMP and PZ), AMPH+, PZ carbamate, PZ dicarbamate, and bicarbonate.

5. Teaching and Learning

The world is constantly changing, requiring new educational approaches, an education 4.0. Each student has a different learning time and individuality, so it is necessary to have different approaches to reach as many students as possible. A way to break down physical and time barriers are needed, which may be possible with new technologies.

5.1 Project Ideas

I. Augmented Reality (AR), Virtual Reality (VR), and Metaverse
Develop simulations of virtual laboratories, industrial plants, and physical-chemical phenomena. Create ways that improve the visualization of problems and environments that can be dangerous in the real world. Allowing living in environments, doing or exploring something that could not be done in the real world due to practical issues such as cost or lack of real materials.
To investigate the effects of metaverse-based educational environments on students' learning performance and perceptions. To compare the performance of students who use the metaverse-based educational approach and those who use the conventional technology-enhanced learning approach. Employ the metaverse as an evaluation approach. Connect the metaverse to existing pedagogical theories or redefine theories. Propose metaverse-based learning strategies.

II. Apps Development, Simulations, and Calculators
Create activities, simulations, and tools to improve topics understanding related to undergraduate courses. Developing tools that assist the learning process and generate engagement.

III. Personalized Learning
Create tools that make learning more personalized, with instructions and feedback tailored to the student's needs.

5.2 Publications and Previous Works

ZanoneApps
Site with several calculators that aid the calculation of thermodynamic properties, saving time with mechanical mathematics and allowing more time for interpretations and understanding of problems. Also, applications that help improve the visualization of problems.