Adsorption,
Catalysis and Technology Transfer
Enrique Rodríguez-Castellóna,
a Universidad de Málaga,
Departamento de Química Inorgánica, Facultad de Ciencias, 29071 Málaga, Spain. castellon@uma.es
Technology
transfer is a very relevant part of research that is, sometimes, not carried
out due to the difficulties for many scientists for contacting and convincing
industry of all the advantages and technological improvements that can benefit
them. There is also the added difficulty that the academy does not have a
language similar to that of the industry. In this conference we are going to
present how, based on basic research on materials, adsorption and catalysis, it
is possible to carry out technology transfer processes, either through patents,
research contracts, joint research, development and innovation projects,
creation of Spin-Off and other ways of cooperation. Some basic aspects will be
explained, such as the need for a prior confidentiality agreement, knowing how
to negotiate ownership of the results of the collaboration, assessing the real
costs, including know-how in the case of research related to Adsorption and
Catalysis with an illustrative example. Numerous cases will also be presented
where innovation and environmental benefits are key to convincing the
participating companies that the joint project or contract has scientific,
technological and economic viability.
Keywords: Tecnhnology transfer; Adsorption, Catalysis,
Compressibility
of Adsorbed Fluids from Molecular Simulations and Ultrasonic Experiments
Gennady Gora,
a Department of Chemical and Materials
Engineering,
New Jersey Institute of Technology
University Heights, Newark, NJ 07102, USA
Fluids
adsorbed (confined) in nanopores are ubiquitous in nature and technology. In
recent years, the interest in confined fluids has grown, driven by research on
unconventional hydrocarbon resources – shale gas and shale oil, much of which
are confined in nanopores. When fluids are confined, many of their properties
differ from those of the same fluid in the bulk. These properties include
density, freezing point, transport coefficients, thermal expansion coefficient,
and compressibility. The compressibility of a fluid confined in the pores contribute
to the overall compressibility of the fluid-saturated porous medium and
determine the speed at which elastic waves traverse through the medium. I will
present recent results on calculation compressibility of various fluids in
nanopores using molecular dynamics and Monte Carlo simulations and show how
these results compare to the experimental measurements based on the ultrasound
propagation. These findings have implications for models used in geophysics for
exploration of unconventional hydrocarbons, and for characterization of porous
materials in the lab.
Keywords: molecular simulation; ultrasound; compressibility; confined fluid;
elasticity
Insight into reactive adsorption: Role of nanoporous carbon surface
chemistry
Teresa J. Bandosz,
The City Collge of The City University of New York, New York, NY 10031,
USA
Recent years have shown a marked development in
applications of porous carbons in fields reaching far beyond a traditional view
of these materials as adsorbents and separation media from either water of gas
phases. Not without importance was the discovery of graphene and an advancement
in scientific instrumentations. While former, though the eyes of physicists,
opened new perspectives of carbon applications with stress on conductivity and
optical properties, the latter helped scientists to envision the convoluted
nature of carbon surface. High resolution microscopy showed not only details on
defects in a carbon matrix but also revealed the “graphene-like” pore walls of
high surface area carbons. Inspired by recent advancement in carbon science and
intrigued by complexity of carbon pore environment, in this talk we will
present an overview of our findings on the role of carbon surface chemistry in
a broad variety of processes taking place in the pores system. Even though not
all of them focus on adsorption, this phenomenon still plays an important role
there. Our journey in this exciting field started from reactive adsorption,
tested visible light ability, paused at energy related processes, halted
briefly at sensing and touched the edges of microbiology. In this talk the
chemical heterogeneity of carbon surfaces will be presented as affecting the
target performances. However, Its “power”, in the majority of cases, added to the
significant impact of confined pore spaces.
Keywords: porous carbons, surface chemistry; recative
adsorption; oxidation; reduction
“Adsorção
de gás e os modelos mais aceitos para caracterizar a textura dos adsorventes
nanoporosos”
Karim Sapaga,
a Laboratorio de Sólidos
Porosos, LabSoP, Instituto de Física Aplicada, INFAP; Universidad Nacional de
San Luis, CONICET, San Luis, Argentina.
No campo da Ciência dos Materiais, materiais nanoporosos (poros da ordem
dos nanômetros) ocupam um papel importante em diversas aplicações, baseiam-se
em aproveitar tanto a textura quanto a composição química. A textura de um
sólido refere-se à superfície específica, ao volume de poros e à distribuição
de tamanho dos poros que eles apresentam. A técnica mais usada para
caracterizar essas propriedades é a adsorção de gás, em particular a adsorção
de nitrogênio em 77K, argônio a 87K e dióxido de carbono a 273K. Atenção
especial tem sido dada a essa técnica encontrando certas dificuldades
associadas principalmente ao tamanho dos poros e à presença de grupos
superficiais, o que influencia diretamente os dados da textura do material. No
estudo da caracterização textural, o que é obtido experimentalmente é uma
isoterma de adsorção que merece atenção especial, uma vez que informações
enriquecedoras podem ser extraídas de sua forma. A partir dos dados
experimentais, são utilizados modelos e as geometrias são assumidas, que
dependem especificamente das características das amostras e das regiões de
análise. Nesta palestra, a técnica de adsorção de gás para caracterizar materiais
será explicada em detalhe, especificando os experimentais para obter resultados
repetitivos e tão precisos quanto a técnica permite. As possíveis formas da
isotermas são destacadas pela análise de sua classificação e são explicados os
modelos mais aceitos e aplicáveis a diversos materiais nanoporosos, seguindo a
proposta de a IUPAC.
Keywords: Adsorção; modelo BET;
Distribução de poros; Materiais nanoporosos.
Influence of the MgFe/LDH synthesis method on the
removal of
nitrate
from aqueous solution
Anamália Ferreira da Silvaa, José Leandro da Silva Duarteb,
Lucas Meilia*
a Laboratório de Processos,
Centro de Tecnologia, Universidade Federal de Alagoas, Maceió, 57072-970,
Alagoas
b Laboratorio de
Eletroquímica Aplicado, Instituto de Química e Biotecnologia, Universidade
Federal de Alagoas, Maceió, AL, 57072-970, Alagoas
Abstract
Contaminants, in low or high concentrations, are
present in aquatic environments, representing a serious threat to human health
and water resources. For this work, the removal of nitrate by adsorption on
MgFe/LDH, produced by different methods, was evaluated in an aqueous solution
in order to analyze the most efficient method. The adsorbents were synthesized
by coprecipitation (CC), hydrothermal (HC), and ultrasound (UHC) methods. The
typical structure of the adsorbents was characterized using X-ray Diffractogram
(XRD). The effect of pH was analyzed so that, from the best conditions, kinetic
tests could be performed. The best conditions for the kinetic tests were 0.05 g
and pH 5.5, for all
materials produced. The adsorption kinetic
experiments resulted in an equilibrium time of 120 min for the three
adsorbents. The HC and UHC adsorbents showed an adsorptive capacity of 6.97 and
6.65 mg.g -1 and removal of 74.52 and 72.09%, respectively. The pseudo-second
order kinetic model presented the best fit to the experimental data for both
adsorbents. The XDR diffractogram, before and after adsorption, suggested that
the nitrate was adsorbed by electrostatic interactions and interlamellar
exchange between chloride and nitrate in HC. Thus, it is suggested that the
materials produced are applicable as adsorbents in aqueous media depending on
the aqueous matrix.
Keywords: Double Lamellar Hydroxide; nitrate;
adsorption; methods
.
“When
the structure and properties of the ligand make a difference on the performance
of the adsorbent material”
Leandro Vinícius Alves Gurgela,
a Group of Physical Organic Chemistry,
Department of Chemistry, Institutue of Exact and Biological Sciences, Federal
University of Ouro Preto, Campus Morro do Cruzeiro, s/nº, Bauxita, Ouro Preto,
35400-000, Brazil
The choice
of an appropriate ligand when designing a new adsorbent material is a key step
to achieve the expected performance. Among the physicochemical properties of a
ligand, the acidity constant is one of the most important properties to be
considered, given that the removal of cationic species from aqueous phase is pH
dependent. Ligands with high acidity constants are more desirable, since their
adsorption sites will be deprotonated at low pH values and therefore the
adsorbent material will perform satisfactorily over a wide pH range. A recent
strategy in the literature is chemical modification by mixing ligands with
different values of acidity constant, providing a material with ligands capable
of adsorbing cationic species in a wide range of pH values. Therefore, in this
presentation it will be shown how ligands such as succinic acid, if mixed with
phthalic acid, trimellitic acid or pyromellitic acid can provide new adsorbent materials
with high adsorption capacity and selectivity for separation of metallic
mixtures such as Co(II), Ni(II), Cu(II), and Zn(II) in aqueous phase in a wide
pH range.
Keywords: Sugarcane bagasse; Chemical modification; Ligand; Multicomponent;
Fixed-bed column
Insert
the title of “Invited works, Adsorption School or Plenaries”
Lucienne Lobato Romanieloa,
a Universidade Feral de
Uberlânida,João Naves 2121, Uberlândia 38408-144, Brazil
The applications of
interfacial phenomena are in increasing development. Among them adsorption
plays a fundamental role in several areas such as catalysis, separation and
storage of gases. This growing demand has leveraged the research and development
of new adsorbent materials such the MOF´s. According to Moosavi et al. (2020)
so far about 500,000 different MOF´s structures have been predicted and about
90,000 have already been synthesized. Therefore, the practically infinite
number of possible structures makes molecular simulation a fundamental tool
enabling the theoretical study of potential structures aiming different
applications. However, accurate results are only possible through a correct
structural and energetic representation of these solids. The energetic
representation is based on the description of interaction forces between the
atoms, named force fields. The force fields for pure fluids, in general, were
developed based on the Lorentz-Berthelot combination rule, to evaluate the
interaction between different atoms type. Here we present two different
approaches A first case is a generalist force field for MOF's based on Slater
and Kirkwood correlations to obtain the parameters of the Lennard-Jones
potential for the MOF´s atoms and its application in the prediction of several fluids in IRMOF's using the
Lorentz-Berthelot combination rule. The second case is the presentation of a
generalist force field for the prediction of the adsorption of different fluids
in zeolites, based on the use of a specific combination rule for the adsorbed
phase. The results indicate that both approaches proved to be efficient,
leading to a predictive capacity superior to the generalist force fields
already reported.
Keywords:Molecular Simulation; Monte-Carlo Method;
Adsorption; MOF´s;Zeolites
Confinement
effects: what we can learn from molecular simulations
Luís
Fernando Mercier Francoa,
a School of Chemical Engineering, University of
Campinas, Av. Albert Einstein, 500, Campinas, 13083-852, Brazil
All
fluids are somehow confined. Nevertheless, whenever the confined space where
the fluid can be found is at the molecular scale, the confinement effects are
quite significant. These effects change not only the thermodynamic properties
of the fluids, compared to the unconfined situation, but also the transport
properties. The ability to predict the thermophysical properties of confined
fluids constitutes a major scientific and technological challenge. The advance
of several applications depends on the knowledge of thermophysical properties
of confined fluids, e.g.: adsorption, membrane separation, CO2
storage in depleted oil and gas reservoirs or in deep saline aquifers, and even
energy storage devices. An experimental approach to determine the properties of
confined fluids is quite difficult, and has been evolving in the recent years.
Nonetheless, molecular simulations entail an attractive alternative to
investigate and to compute confined fluid properties. In this talk, I am going
to show some recent developments we have been conducting in our group in the
University of Campinas applying molecular simulation to understand the
properties of confined fluids. I am also going to discuss the development of
new, state-of-the-art, molecular-based equations of state for confined fluids
and how molecular simulation is fundamental to their development. Finally, some
perspectives on possible future research on this exciting topic will be
presented.
Keywords: confined fluids; molecular simulation; equations of state;
thermophysical properties.
Current advances and trends in applying machine
learning algorithms in adsorption systems
Nina Paula Gonçalves Salau
Department of Chemical Engineering, Universidade Federal de Santa
Maria, Av. Roraima, 1000, Cidade Universitária – Bairro Camobi, Santa Maria- RS, Postcode 97105-900, Brazil.
Abstract
Machine learning (ML) teaches
computers what humans take for granted: learn from experience. ML algorithms use computational techniques to
“learn” information directly from data without relying on a given equation as a model. They improve
their performance adaptively as the number of samples
available for learning increases. Choosing the right algorithm can seem overwhelming and requires weighing one benefit against another,
including model speed, accuracy, and complexity. A ML model is often referred to as a "black
box" model because it can be difficult to comprehend how the model makes predictions. Interpretability tools help overcome this issue and show how predictors contribute to predictions. It can
also validate that the model is using the correct evidence for its predictions
and find model biases that are not
immediately obvious. Recently, ML algorithms have made great strides in various
applications including the development of models to accurately predict
the performance of complex
systems in various fields of science and engineering. Especially in adsorption
systems, ML algorithms are widely used owing to two main advantages: (i) the assessment of the adsorption
behavior is not available for
all operating conditions due to the high cost and time required to collect and
analyze the experimental data; (ii)
due to the probability of diverse multi-component interactions, theoretical models can predict neither the non-linear
relationships between the process variables nor the complex behavior of multi-component systems. In
this work, the current advances and trends in the application of ML algorithms in adsorption systems
are discussed in detail.
Keywords: supervised learning; classification; regression; wastewater treatment.
Machine-learning
applications for adsorption process design
Arvind Rajendrana,
a Department of Chemical and Materials
Engineering, University of Alberta, Edmonton, CANADA
Adsorption
process simulation and optimization are challenged by the need to solve a
system of coupled partial differential equations repeatedly. This makes the
simulation and optimization of these processes computationally expensive. Recent
studies have also shown that the reliable evaluation of adsorbents requires
explicit process optimization. The rapid increase in the experimental and
computational synthesis of novel adsorbents, therefore, creates a need to
develop rapid, robust and reliable process simulations.This talk will discuss
several new developments in deploying machine learning tools to address
computational challenges. We will discuss both supervised machine learning
tools that result in surrogates that provide an instantaneous evaluation of
process performance and physics-informed neural networks (PINNs) that provide
an elegant way to incorporate the conservation laws into the neural networks.
Examples from adsorbent screening and automated cycle design will be presented.
Case studies from pressure-vacuum swing adsorption and liquid chromatography
will be illustrated. These theoretical developments will be supported by
experimental validation that improves our confidence in using these techniques.
Keywords: Machine learning; prerssure swing adsorption; chromatography
Dia 24/11
Adsorção de gás e os modelos mais aceitos para
caracterizar a textura dos adsorventes nanoporosos.
Karim Sapaga,
a Laboratorio de Sólidos
Porosos, LabSoP, Instituto de Física Aplicada, INFAP; Universidad Nacional de
San Luis, CONICET, San Luis, Argentina.
No campo da Ciência dos Materiais, materiais nanoporosos (poros da ordem
dos nanômetros) ocupam um papel importante em diversas aplicações, baseiam-se
em aproveitar tanto a textura quanto a composição química. A textura de um
sólido refere-se à superfície específica, ao volume de poros e à distribuição
de tamanho dos poros que eles apresentam. A técnica mais usada para
caracterizar essas propriedades é a adsorção de gás, em particular a adsorção
de nitrogênio em 77K, argônio a 87K e dióxido de carbono a 273K. Atenção
especial tem sido dada a essa técnica encontrando certas dificuldades
associadas principalmente ao tamanho dos poros e à presença de grupos
superficiais, o que influencia diretamente os dados da textura do material. No
estudo da caracterização textural, o que é obtido experimentalmente é uma
isoterma de adsorção que merece atenção especial, uma vez que informações
enriquecedoras podem ser extraídas de sua forma. A partir dos dados
experimentais, são utilizados modelos e as geometrias são assumidas, que
dependem especificamente das características das amostras e das regiões de
análise.Nesta palestra, a técnica de adsorção de gás para caracterizar materiais
será explicada em detalhe, especificando os experimentais para obter resultados
repetitivos e tão precisos quanto a técnica permite. As possíveis formas da
isotermas são destacadas pela análise de sua classificação e são explicados os
modelos mais aceitos e aplicáveis a diversos materiais nanoporosos, seguindo a
proposta de a IUPAC.
Keywords: Adsorção; modelo BET;
Distribução de poros; Materiais nanoporosos.
Adsorption equilibrium –
fundamentals and applications
Amaro Gomes Barreto Juniora,
a Engenharia de Processos
Químicos e Bioquímicos, Escola de Química, Universidade Federal do Rio de
Janeiro, Cidade Universitaria, RJ 21941-972, Brazil
Adsorption
equilibrium is an axiom of classical thermodynamics ubiquitous in studies of
surface phenomena applied to different scenarios, such as characterization of
porous materials, heterogeneous catalysis, separation processes, storage and
capture of products and waste, and piezoelectric sensors, among others. In this
session, we will review the meaning of the equilibrium criteria established in
classical thermodynamics, the connection between thermodynamic potentials and
the concepts of statistical thermodynamics, and the development of convenient
models for describing the macroscopic phenomenon from microscopic properties.
In this context, atomistic simulations are part of the methodology for
developing mathematical models for engineering purposes, such as designing
systems, processes, and products involving adsorption. Based on this approach,
many examples will be presented, considering homogeneous and heterogeneous
solids, pure and multicomponent systems, gases and liquids, with emphasis on
the characterization of micro/mesoporous materials and on separation processes
involving waste, natural gas, and active pharmaceutical ingredients.
Keywords: Methodologies for adsorption isotherm; Statistical thermodynamics;
Models for engineering purposes
Development
of selective bioadsorbents for recovery of high value metals in liquid phase
and other applications
Melissa Gurgel Adeodato Vieiraa,
a University of Campinas, School of Chemical
Engineering, Albert Einstein Avenue, 500, 13083-852 Campinas, Brazil
The recovery of noble and rare-earth metals is of great economic and
environmental interest, due to its high market values. They are scarce
materials considered critical due to their increasing demand and difficult substitution
in the production of technological products. The recovery of these elements
from secondary sources is essential for cleaner production in a circular
economy perspective. Bio/adsorption is considered an alternative technology
with high potential for the removal and recovery of these elements in low
concentrations. The development of alternative and nonconventional
bio/adsorbents is promising. The combination of different materials is a
strategy to produce bio/adsorbents with improved properties. Biopolymers and
clay minerals are considered an alternative because they are abundant and
biodegradable. In addition, functionalization techniques, such as ionic
imprinting, can improve the characteristics of adsorbents, such as selectivity
for specific elements in multi-composite systems. Among bio/adsorbents, sericin
is a residue protein from silk manufacturing that presents strongly polar
groups that allow blending and crosslinking with other polymers (e.g.,
alginate) to produce adsorbent with improved properties. Vermiculite is an
abundant clay in Brazil with low cost and great adsorptive capacity. In our
research group, promising results for the removal/recovery of noble and
rare-earth metals were obtained with the different synthesized materials.
Keywords: Noble metals; Rare-earth metals;
Bio/adsorption; Polymer; Clay.
Removal of emerging
contaminants from water using carbon-
based adsorbents
D.Sc.(Eng) Satu Ojalaa , D.Sc.Velma Kimbi Yaahb
a Environmental and Chemical Engineering.Faculty of Technology,
POB 4300 90014 University of Oulu Finland
Abstract
.
Emerging contaminants in water are causing
increasing threats to the environment and wellbeing. These contaminants enter the waterways via human
actions, and include substances such as pharmaceutics and agricultural chemicals that are difficult
to degrade using the conventional water treatment technologies. It has been for example noted that maximum
20% degradation of carbamazepine and diclofenac in typical biological wastewater treatment can be achieved.
Inefficiency of the current technologies is one reason
for continuous increase of emerging contaminant concentrations in natural waters. Adsorption has proven to be efficient in many challenging purification cases. It is environmentally benign, and simple
to operate, design
and scale-up. Adsorption show very promising results in the case of removal
of emerging contaminants from water. Carbon adsorbents are interesting
due to their several beneficial properties in water purification, but they have also the other advantage that supports the circular economy.
Keywords: Emerging contaminants; Carbon adsorbents; water purification.
Use of the hydrothermal carbonization (HTC) technique in the preparation of active adsorbents
D.Sc. Sérgio Botelho de Oliveiraa , D.Sc.Danns Pereira
Barbosab
a Instituto Federal
de Goiás - R. 75, 46 - Centro
Centro, Goiânia - GO,
74055-110, Brasil
b Pontífice Universidade Católica de Goiás, Av, Universitária 1.440,
Setor Universitário CEP: 74605-010 - Goiânia, Goiás, Brasil
Abstract
Hydrothermal carbonization is mentioned as an eco-friendly method for converting lignocellulosic biomass and organic residues into different
value-added products. Friedrich Bergius in 1913, described the process of obtaining coal in his “theory of coal formation”, when he heated
different types of biomass in a tray with water
varying the time (10 and 30 h) and temperature (170 and 340 ºC), to artificially examine
and produce several stages of carbonization. When an
autoclave is heated to the desired temperature with how material content and water, the pressure is self
generated due to the presence of water in the subcritical phase, occurring simultaneous reactions that lead
the hydrochars production. The
application of hydrochars in adsorption
processes is exemplified in the removal of molecules and contaminants in
aqueous media as toxic metals,
organic contaminants, as well nitrogen
and phosphate, because
they have diverse
oxygenated functional groups. Hydrochars can be used to produce
activated carbon because they have a high density of oxygenated functional groups, which make them efficient
as precursors in activation processes. Hydrothermal carbonization
is an advantageous technical because it can decrease the process steps and
energy consume to produce activated carbon when compared with conventional
process.
Keywords: hydrochars; hydrothermal carbonization process; cleaner
production.
Lamellar
Materials applied to Catalysis
Sibele Perghera,
a LABPEMOL – UFRN, Av. Senador Salgado filho,
3000. Natal – RN, CEP 59078-970, Brazil
The MWW type zeolite
(MCM-22) has a lamellar precursor [1] that can be swelled [2,3], desordenated
[4] and pillared [2,5]. The properties of these materials are very different
and depends of chemical composition and the way that the layers are arranged [5].
In this study we present different ways to arrange this layers by swelling with
different surfactants and in different conditions, also using silicon and
niobium oxides pillars. Desordenated layers were also synthetized (ITQ2) and a
microsphere arrangement of the layers. The materials were very well
characterized and it be shown some applications in fructose dehydration to
5-HMF, oxidation of VOCs and gasoil cracking. These materials are very
versatile to design materials with different accessibilities and activity.
Keywords: Lamellar materials, MWW, Zeolites, catalysis, pillared materials,
delaminated materials.
Green
synthesis of metallic nanoparticles and application as adsorbents
Tirzhá Lins Porto Dantasa,
a Department of Chemical Engineering,Federal
University of Paraná, Curitiba-
PR, BRAZIL Zip Code 81530-0
Nanoparticles (NP's) can be prepared by electrochemical methods, thermal
decomposition, hydrothermal synthesis, microemulsion,
decomposition-precipitation, chemical vapor deposition and impregnation. Some
of these methods provide a large production of nanoparticles. However, these
diverse chemical routes include the use of toxic solvents and the generation of
residues that are harmful to health and the environment. The use of
biodiversity constitutes an important step in the concept of sustainable
economic development. Thus, green nanotechnology is an approach aligned with
the growing concern about issues related to sustainability. Green synthesis
uses methods and materials that aim to generate products with reduced
environmental impact associated with economic and social gains. Agricultural
by-products that can serve as raw material for the green synthesis of
nanoparticles are: fibers, sawdust, bran and peels. To minimize the current
empiricism existing in the green synthesis of NP's, the present work synthesized
NP'S using several agro-industry residues and applied them as
adsorbents/catalysts. The synthesis of iron, titanium, magnesium and copper
nanoparticles was possible using Tetsukabuto hybrid pumpkin peel and lime
orange peel. The NPs were characterized by BET surface specific area, Transmission
Electron Microscopy (TEM), Scanning Electron Microscopy (SEM), Infrared
Spectroscopy (FT-IR), Thermogravimetry (TGA), Raman Spectroscopy. The surface
area of the NP’s was determined by BET. The characterization of the NP's
allowed to know aspects of the surface of the nanostructures and to relate
these results with the adsorption capacity.
Keywords: green synthesis; peels; nanoparticles; adsorbents.
Adsorption
using wastes as a way to concentrate rare earth elements from phosphogypsum
Guilherme Luiz Dottoa,
a Federal University of Santa Maria (UFSM), Research
Group on Adsorptive and Catalytic Process Engineering (ENGEPAC), Santa Maria-RS
97105900, Brazil
Phosphogypsum
(PG) is a waste from phosphoric acid production. It is generated worldwide in
large amounts (300 Mt/year), and only 15% is recycled. The rest is discarded,
causing environmental impacts. However, it is known that PG contains rare earth
elements (REEs) in its composition that could be recovered. Furthermore,
practically all of the world is dependent on China regarding REEs, so
technologies that allow the concentration of REEs are welcome. In this
scenario, adsorption using wine wastes could: I) Help to recycle PG and the
wine wastes, decreasing the environmental impacts of these wastes; II) generate
concentrated REEs; III) decrease the Brazilian external dependency on REEs.
Specifically, in this work, REEs were leached from PG and then adsorbed using
wine wastes. It focused mainly on Cerium and Lanthanum synthetic solutions and
real leachate. In addition, standard adsorption studies of kinetics and
isotherms were performed. The preliminary results revealed that this approach
could concentrate the REEs around 20 times.
Keywords: adsorption; wine wastes; rare earth elements; leaching.
Periodic
counter-current chromatography as a polishing step for aggregate reduction in
antibodies preparations
Iara R.A.P Bresolina,b, Narges Lalic, Igor T.L.
Bresolina,b and Alois Jungbauerb,c
a Universidade Federal de São
Paulo, Departamento de Engenharia Química, Rua São Nicolau, 210, 09913-03,
Diadema, Brasil
bUniversity of Natural Resources and Life
Sciences, Muthgasse 11, 1190, Vienna, Austria
c Austrian Centre of Industrial Biotechnology, Muthgasse
11, 1190, Vienna, Austria
Hydrophobic
interaction chromatography (HIC) is one versatile method to polish antibodies
preparations. In HIC, adsorption occurs due to the interaction between nonpolar
regions present on protein surface and hydrophobic ligands in presence of a
kosmotropic salt. In antibody preparations for therapeutic applications,
aggregates are critical impurities that should be below 1% since they can
elicit an immune response. However, one of the biggest problems faced in the
development of chromatographic processes lies in the time taken to obtain high
amounts of high purity antibody. Conventional batch chromatographic operation
on a single column requires several steps, such as column packing, loading,
washing, eluting and regeneration. Continuous chromatography can be a solution
to this problem, through the run of multiple columns. While one column is
loaded, the next ones are washed, eluted, regenerated and re-equilibrated. In
the simplest form, the number of columns should equal the number of individual
steps needed to perform the purification. In this talk, the use of HIC with
Toyopearl® Phenyl 650 M in continuous mode is presented for an antitumor
necrosis factor (TNF) alpha IgG1 antibody polishing procedure, based
on the results of one column presented by Bresolin et al. (2020). Using 3
columns Periodic Counter-Current Chromatography (3C-PCC) it was possible to
reduce aggregate content in 87%, based in size exclusion analytics in HPLC. A
productivity increase of 95% could be reached when comparing to the batch mode.
With this continuous method, an antibody preparation with aggregate content
below 1% could be achieved, which is recommended for therapeutic applications.
Keywords: antibody; aggregates removal; polishing purification; continous
chromatography
Biodegradable
adsorbent based on bacterial cellulose for application in bone regeneration
Rodrigo Silveira Vieiraa, Erika Patricia Chagas Gomes Luza, Ana Lorena de Brito
Soaresa, Fabia Karine Andradea, Igor Iuco Castro-Silvab,
Morsyleide de Freitas Rosac
a Federal University of Ceará (UFC), Department
of Chemical Engineering, Bloco 709, CE 60455-760 Fortaleza, Ceará, Brazil
b Federal University of Ceará
(UFC/SOBRAL), Dentistry
Department, CE 62010820, Sobral, Ceará, Brazil
.c Embrapa
Agroindústria Tropical – CNPAT, Rua Dra Sara Mesquita 2270, Pici, CE 60511-110
Fortaleza, Ceará, Brazil
Composite materials, combining an organic and an
inorganic phase, have mainly been studied to mimic and assist in reconstructing
bone tissue. This study proposed the composite synthesis of oxidized bacterial
cellulose (OBC) membranes, a biodegradable absorbent associated with strontium
apatite (SrAp), an active component for bone regeneration. Two adsorption
methods obtained the composite: immersion cycle (OBCIC) using solutions, NaH2PO4
and SrCl2; and biomimetics (OBCB) using simulated body fluid. To
evaluate the adsorption of SrAp, Atomic Absorption Spectroscopy and Electron
Microscopy coupled with EDS were used. The OBCIC showed a higher amount of
adsorbed strontium, while the OBCB provided greater structural stability, preserving
the fibrous structure present in the OBC. Fourier transform infrared
spectroscopy showed that both methods promote chemical adsorption of SrAp, due
to the high capacity of OBC to interact with strontium ions. Furthermore, oxidation
makes the membrane negatively charged by forming clusters of aldehydes. The
cytotoxicity of these materials was evaluated using fibroblast cells. The OBCB
sample showed high cell viability, higher than 100 %, while the OBCIC sample
observed a decrease in cell viability of about 35%. This reduction can be
explained by the membrane degradation and strontium release from the
mineralized part. Based on these results, OBCIC and OBCB composites are
potential adsorbents for producing biomaterials for osteogenic applications.
Keywords: Oxidized bacterial cellulose; strontium apatite; immersion cycle;
biomimetic; adsorption.
25/11
Kinetics and Fundamentals of
Mass Transfer in Adsorption Processes
Ivanildo José da
Silva Jra,
a Laboratório de Processos de
Separação e Cromatografia (LAPS&C), Grupo de Pesquisa em Separações por
Adsorção (GPSA), Centro de Tecnologia, Departamento de Engenharia Química
(DEQ), Universidade Federal do Ceará (UFC), Campus do Pici - Bloco 709 - CEP
60440-900 - Fortaleza - CE
For
the design of adsorptive systems, information on textural characteristics of
the adsorbents, on the adsorption equilibrium as well as kinetics and mass
transfer are needed. The knowledge of the adsorption isotherm parameters is
fundamental in any adsorptive process and the main information. However, the
kinetic and mass transfer parameters are also important in this process and
help in the understanding of the phenomena and in the modeling, simulation and
prediction of the concentration profiles. In this class we will address
fundamental aspects about the mechanisms of mass transfer in adsorbent
processes, with emphasis on liquid phase processes, either in stirred tank
systems or in fixed bed columns. Experimental methods for adequate estimation
and the use of phenomenological models are of fundamental importance for this
purpose.
Keywords: Liquid-phase adsorption; difusivity;
mass transfer; batch adsorption; fixed bed adsorption.
Industrial
Application of Adsorption Processes
Pedro Augusto Arroyoa,
a Laboratory of Adsorption and Ion Exchange
(LATI), Department of Chemical Engineering (DEQ), State University of Maringá
(UEM), 87020-900, Maringá, PR, Brazil
Adsorption,
as a separation process, is widely applied in manufacturing economy and our
daily life. The main objectives of applying adsorption operations in industries
are purification, recuperation and bulk separation of molecules from gaseous or
liquid streams by contacting fluids with adsorbent solids. In order to reach
these goals, operation modes of adsorption processes are batch adsorption in
agitated vessel, adsorption in continuous-flow tanks, fixed-bed adsorption and
moving-bed adsorption. These configurations for the adsorption processes permit
a wide field of industrial utilization such as petroleum refinery, domestic and
industrial wastewater treatments, pharmaceutical, fine chemical, and food,
among others.
Keywords: Cyclic adsorption; adsortion
column; PSA; TSA; SMB.
Molecular
Simulation and Classical Density Functional Theory for Thermodynamics of Adsorption
and Characterization of Solids.
Frederico Wanderley Tavares
Programa de Engenharia Química (PEQ/COPPE), Universidade
Federal do Rio de janeiro (UFRJ), Technology
Center, Rio de Janeiro, 21941-917, RJ, Brazil
Engenharia de Processos Químicos e Bioquímicos, Escola
de Química (EPQB), Universidade Federal do Rio de Janeiro
(UFRJ), Rio de Janeiro,
21941-917, RJ, Brazil
The molecular simulation method and classical density functional theory
have gained importance in modeling confined fluids. Notably, adsorption
databases produced by non-local DFT (NLDFT), quenched solid DFT (QSDFT), and
2D-NLDFT approaches are used in different characterization methodologies to
recover the pore size distribution (PSD) for various nanoporous materials.
Here, we discuss the multidimensional-multicomponent classical DFT approach
consistent with the SAFT equation of state application to describe confined
molecules and their confined mixtures adsorbed on homogeneous and heterogeneous
surfaces. We also computed adsorption isotherms of pure CO2, CH4, N2, water,
and binary and ternary mixtures of these compounds by molecular simulation.
Results on functionalized PAF-1 structures with the different functional groups
such as -CH3, -CN, -COOH, -COOCH3, -OH, -OCH3, -NH2, and -NO2 are shown.
Keywords: Classical DFT; Confined Fluids; Thermodynamics of Adsorption;
Molecular Simulation
Shape
Engineering of Nanoporous Adsorbents Through Additive Manufacturing
Fateme Rezaeia
aDepartment of Chemical and
Biochemical Engineering, Missouri University of Science and Technology,
Rolla, Missouri 65409-1230, United States
Crystalline
adsorbents can be shaped into different forms by a variety of fabrication
techniques. Additive manufacturing, also known as 3D printing, has emerged as
an invaluable platform for shape engineering porous solids and fabricating
scalable configurations for use in a wide variety of separation applications.
However, formulating porous materials into self-standing configurations can
dramatically affect their performance and consequently the efficiency of the
process wherein they operate. In this talk, various formulation strategies –
such as direct ink writing, secondary seeding growth, polymer phase separation,
gel-print-form, and binderless printing – that have been undertaken by our
group to shape engineer porous adsorbents into scalable gas-solid contactors
will be presented. The structure-property-performance relations in 3D-printed
adsorbent contactors will be discussed in detail. In particular, through
several examples, it will be deomnstrated how 3D-printed structured adsorbents
with complex geometries not only exhibit comparable or improved performance to
that of their powder parents but also address the pressure drop and attrition
issues of traditional configurations.
Keywords: 3D printing; Adsorbent; Gas separation; Shape engineering
CO2
capture from biomass-derived gases by adsorption: threats and opportunities
Marcelo Martins Seckler a
a Department of Chemical Engineering,
Polytechnic School, University of São Paulo, Av. Prof. Luciano
Gualberto, Trav.3, nº 380 Butantã – Cidade Universitária, São Paulo SP, Postcode
05508-101, Brazil
Post-combustion
CO2 capture is considered essential for mitigation of global
warming, as the captured CO2 may be concentrated and subsequently
used as a chemical or sent to a proper storage site. The process is
particularly interesting if CO2 is derived from biomass off gases,
as it enables energy generation with negative CO2 emissions.
Adsorption is potentially less energy demanding than absorption and has been industrially
applied both in the natural gas and in the chemical industry. However, large
scale implementation for CO2 capture has not yet been attained, as challenges
remain regarding process and equipment to minimize costs and energy consumption,
as well as the technical feasibility to treat mixtures with impurities
originated from the biomass. In this contribution opportunities offered by
process optimization regarding pretreatment, adsorption, desorption and CO2
concentration steps are presented. Besides, the possibilities of topological
optimization of the contacting stages are highlighted, possibly with aid of
heat integrated designs and the use of phase change materials. Finally, the
threatens posed by impurities found in biomass-derived gases such as SOx,
NOx are discussed.
Keywords: postcombustion CO2 capture; biomass; optimization
CO2
capture by adsorption: recent developments on materials and processes
Moises Bastos-Neto
Chemical Engineering Department, Federal
University of Ceara, 60455-760, Fortaleza – CE, Brazil
Besides
being a major greenhouse gas originated from large-scale burning of fossil
fuels, demanding worldwide policies to address the global warming effects,
carbon dioxide also causes loss of calorific value in natural gas and biogas
and tends to promote corrosion of equipment. Over decades, carbon capture
technologies have been developed in order to ease the global warming by
mitigating CO2 emissions either by sequestration or by offering
alternatives for turning captured CO2, as a renewable carbon
feedstock, into valuable products. Adsorption processes rely on the use of
highly porous solids, which are either commercially available or under
development through research on material science and engineering. The choice of
the adsorbent is critical to the effective operation of the separation and
capture process. However, the search for optimal properties of the adsorbents
is not the only aspect that drives the design of the carbon capture process.
The process configuration has also significant influence on its performance. In
adsorption-based CO2 capture processes, the adsorbent is used
cyclically alternating stages of adsorption and desorption, where desorption is
typically carried out by either decreasing the pressure or increasing the
temperature. The decision on how the regeneration is accomplished will depend
on economic and technical considerations. This presentation will cover
fundamental aspects and recent developments on adsorbent materials and
configurations of adsorption-based processes for carbon capture purposes.
Keywords: carbon capture; adsorption; process
UnB - Instituto de Química - IQ - Brasília - Distrito Federal - Brasil
