Upgrading recovered carbon black (rCB) from industrial-scale end-of-life tires (ELTs) pyrolysis to activated carbons: Material characterization and CO2 capture abilities.

The current study presents for the first time how recovered carbon black (rCB) obtained directly from the industrial-scale end-of-life tires (ELTs) pyrolysis sector is applied as a precursor for activated carbons (ACs) with application in CO2 capture. The rCB shows better physical characteristics, including density and carbon structure, as well as chemical properties, such as a consistent composition and low impurity concentration, in comparison to the pyrolytic char. Potassium hydroxide and air in combination with heat treatment (500-900 °C) were applied as agents for the conventional chemical and physical activation of the material. The ACs were tested for their potential to capture CO2. Ultimate and proximate analysis, Fourier-transform infrared spectroscopy (FT-IR), scanning electron microscopy with energy dispersive X-ray spectroscopy (SEM-EDS), Raman spectroscopy, thermogravimetric analysis (TGA), and N2/CO2 gas adsorption/desorption isotherms were used as material characterization methods. Analysis revealed that KOH-activated carbon at 900 °C (AC-900K) exhibited the highest surface area and a pore volume that increased 6 and 3 times compared to pristine rCB. Moreover, the AC-900K possessed a well-developed dual porosity, corresponding to the 22% and 78% of micropore and mesopore volume, respectively. At 0 °C and 25 °C, AC-900K also showed a CO2 adsorption capacity equal to 30.90 cm3/g and 20.53 cm3/g at 1 bar, along with stable cyclic regeneration after 10 cycles. The high dependence of CO2 uptake on the micropore volume at width below 0.7-0.8 nm was identified. The selectivity towards CO2 in relation to N2 reached high values of 350.91 (CO2/N2 binary mixture) and 59.70 (15% CO2/85% N2).

Biodiesel Production Using Palm Oil with a MOF-Lipase B Biocatalyst from Candida Antarctica: A Kinetic and Thermodynamic Study.

This research presents the results of the immobilization of Candida Antarctica Lipase B (CALB) on MOF-199 and ZIF-8 and its use in the production of biodiesel through the transesterification reaction using African Palm Oil (APO). The results show that the highest adsorption capacity, the 26.9 mg·g-1 Lipase, was achieved using ZIF-8 at 45 °C and an initial protein concentration of 1.20 mg·mL-1. The results obtained for the adsorption equilibrium studies allow us to infer that CALB was physically adsorbed on ZIF-8 while chemically adsorbed with MOF-199. It was determined that the adsorption between Lipase and the MOFs under study better fit the Sips isotherm model. The results of the kinetic studies show that adsorption kinetics follow the Elovich model for the two synthesized biocatalysts. This research shows that under the experimental conditions in which the studies were carried out, the adsorption processes are a function of the intraparticle and film diffusion models. According to the results, the prepared biocatalysts showed a high efficiency in the transesterification reaction to produce biodiesel, with methanol as a co-solvent medium. In this work, the catalytic studies for the imidazolate, ZIF-8, presented more catalytic activity when used with CALB. This system presented 95% biodiesel conversion, while the biocatalyst formed by MOF-199 and CALB generated a catalytic conversion percentage of 90%. Although both percentages are high, it should be noted that CALB-MOF-199 presented better reusability, which is due to chemical interactions.

Biocatalysts Synthesized with Lipase from Pseudomonas cepacia on Glycol-Modified ZIF-8: Characterization and Utilization in the Synthesis of Green Biodiesel.

This research presents results on the production of biodiesel from the transesterification of acylglycerides present in palm oil, using the biocatalysts ZIF-8-PCL and Gly@ZIF-8-PCL synthesized by immobilization of Pseudomonas Cepacia Lipase as catalytic materials and using pure ZIF-8 and Gly@ZIF-8 (modified ZIF-8) as supports. The Gly@ZIF-8 carbonaceous material was prepared by wet impregnation of ZIF-8 with ethylene glycol as the carbon source, and then thermally modified. The calcination conditions were 900 °C for two hours with a heating rate of 7 °C/min in an inert atmosphere. A textural characterization was performed, and results showed superficial changes of materials at the microporous and mesoporous levels for the Gly@ZIF-8 material. Both the starting materials and biocatalysts were characterized by infrared spectroscopy (FTIR) and Raman spectroscopy. During the transesterification, using the two biocatalysts (ZIF-8-PCL and Gly@ZIF-8-PCL), two supernatant liquids were generated which were characterized by infrared spectroscopy (FTIR), gas chromatography coupled to mass spectrometry (GC-MS), and nuclear magnetic resonance (NMR). The results show that the two routes of synthesis of supports from ZIF-8 will be configured as effective methods for the generation of effective biocatalysts for biodiesel production.

Enthalpic and Liquid-Phase Adsorption Study of Toluene-Cyclohexane and Toluene-Hexane Binary Systems on Modified Activated Carbons.

The liquid-phase adsorption of toluene in cyclohexane and hexane solutions on modified activated carbons was evaluated; the energy involved in the interaction between these solutions and the solids was determined by immersion enthalpies of pure solvents and their mixtures, and the contribution of the system constituents was calculated by differential enthalpies. The thermal treatment generated modifications that favored adsorption and interaction with the evaluated solutions, since it increased the textural parameters and the basic character of the samples. Cyclohexane could create greater competition with the adsorption sites compared to hexane, but it favored the increase in adsorption capacities (0.416 to 1.026 mmol g-1) and the interactions with the solid evaluated through the immersion enthalpies. The immersion enthalpies of pure solvents (-16.36 to -112.7 J g-1) and mixtures (-25.65 to -104.34 J g-1) had exothermic behaviors that were decreasing due to the possible displacement of solvent molecules when increasing the solute concentration in the mixtures. The differential enthalpies for toluene were negative (-18.63 to -2.14 J), mainly due to the π-π interaction with the solid, while those of the solvent-solid component tended to be positive values (-4.25 to 55.97 J) due to the displacement of the solvent molecules by those of toluene.

Use of bone char prepared from an invasive species, pleco fish (Pterygoplichthys spp.), to remove fluoride and Cadmium(II) in water.

In this study, bone char (BC) from pleco fish (Pterygoplichthys spp.) was synthesized, and their textural and physicochemical properties, as well as its adsorption capacity towards fluoride and Cd(II) from single and binary aqueous solutions, were determined. The results showed that the properties of the BCs were independent of the type of bone used and the surface areas were close to 110 m2 g-1. The effect of solution pH revealed that the adsorption capacity of BC towards fluoride from water raised by decreasing the solution pH. This trend was attributed to the electrostatic interaction between the positively charged surface and the fluoride in aqueous solution. On the contrary, the capacity of BC for adsorbing Cd(II) was enhanced by increasing the solution pH, indicating that electrostatic interactions were also essential but with a contrary effect in comparison with fluoride adsorption due to the negatively charged surface at pH above the point zero charge (pHPZC = 8.16). The experimental data for binary adsorption of fluoride and Cd(II) were interpreted satisfactorily using the modified Freundlich multicomponent isotherm (EFMI), and the experimental data revealed that Cd(II) have an antagonistic effect on the adsorption of fluoride, whereas the presence of fluoride does not affect the capacity of BC for adsorbing Cd(II). Thermogravimetric, XRD diffraction and IR spectroscopy analysis corroborated that the adsorption of fluoride in BC is due to electrostatic attractions, ion exchange or chemisorption and physisorption. Besides, the removal of Cd(II) occurs by physical adsorption and ion exchange. It was concluded that BC is an alternative material for the removal of fluoride and Cd(II) from aqueous solutions, and it is a possible application for using the bones of this invasive fish species.

Biochar from Fique Bagasse for Remotion of Caffeine and Diclofenac from Aqueous Solution.

Caffeine and diclofenac are molecules with high human intake, and both belong to the 'emergent' class of contaminants. These compounds have been found at different concentrations in many sources of water worldwide and have several negative impacts on aquatic life systems; that is why the search for new alternatives for their removal from aqueous media is of transcendental importance. In this sense, adsorption processes are an option to attack this problem and for this reason, biochar could be a good alternative. In this regard, were prepared six different biochar from fique bagasse (FB), a useless agroindustry by-product from fique processing. The six biochar preparations were characterized through several physicochemical procedures, while for the adsorption processes, pH, adsorption time and concentration of caffeine and diclofenac were evaluated. Results showed that the biochar obtained by pyrolysis at 850 °C and residence time of 3 h, labeled as FB850-3, was the material with the highest adsorbent capacity with values of 40.2 mg g-1 and 5.40 mg g-1 for caffeine and diclofenac, respectively. It was also shown that the experimental data from FB850-3 fitted very well the Redlich-Peterson isotherm model and followed a pseudo-first and pseudo-second-order kinetic for caffeine and diclofenac, respectively.

Parabens Adsorption onto Activated Carbon: Relation with Chemical and Structural Properties.

Parabens (alkyl-p-hidroxybenzoates) are antimicrobial preservatives used in personal care products, classified as an endocrine disruptor, so they are considered emerging contaminants. A raw version of activated carbons obtained from African palm shell (Elaeis guineensis) modified chemically by impregnation with salts of CaCl2 (GC2), MgCl2 (GM2) and Cu(NO3)2 (GCu2) at 2% wt/v and carbonized in CO2 atmosphere at 1173 K was prepared. The process of adsorption of methyl (MePB) and ethylparaben (EtPB) from aqueous solution on the activated carbons at 18 °C was studied and related to the interactions between the adsorbate and the adsorbent, which can be quantified through the determination of immersion enthalpies in aqueous solutions of corresponding paraben, showing the lowest-value carbon GM2, which has a surface area of 608 m2 × g-1, while the highest values correspond to the activated carbon GCu2, with a surface area of 896 m2 × g-1 and the highest content of surface acid sites (0.42 mmol × g-1), such as lactonic and phenolic compounds, which indicates that the adsorbate-adsorbent interactions are favored by the presence of these, with interaction enthalpies that vary between 5.72 and 51.95 J × g-1 for MePB adsorption and 1.24 and 52.38 J × g-1 for EtPB adsorption showing that the process is endothermic.

Mechanisms of Methylparaben Adsorption onto Activated Carbons: Removal Tests Supported by a Calorimetric Study of the Adsorbent⁻Adsorbate Interactions.

: In this study, the mechanisms of methylparaben adsorption onto activated carbon (AC) are elucidated starting from equilibrium and thermodynamic data. Adsorption tests are carried out on three ACs with different surface chemistry, in different pH and ionic strength aqueous solutions. Experimental results show that the methylparaben adsorption capacity is slightly affected by pH changes, while it is significantly reduced in the presence of high ionic strength. In particular, methylparaben adsorption is directly dependent on the micropore volume of the ACs and the π- stacking interactions, the latter representing the main interaction mechanism of methylparaben adsorption from liquid phase. The equilibrium adsorption data are complemented with novel calorimetric data that allow calculation of the enthalpy change associated with the interactions between solvent-adsorbent, adsorbent-adsorbate and the contribution of the ester functional group (in the methylparaben structure) to the adsorbate⁻adsorbent interactions, in different pH and ionic strength conditions. It was determined that the interaction enthalpy of methylparaben-AC in water increases (absolute value) slightly with the basicity of the activated carbons, due to the formation of interactions with π- electrons and basic functional groups of ACs. The contribution of the ester group to the adsorbate-adsorbent interactions occurs only in the presence of phenol groups on AC by the formation of Brønsted⁻Lowry acid⁻base interactions.

Study of Hexane Adsorption on Activated Carbons with Differences in Their Surface Chemistry.

The study of aliphatic compounds adsorption on activated carbon can be carried out from the energetic change involved in the interaction; the energy values can be determined from isotherms or by the immersion enthalpy. Vapor phase adsorption isotherms of hexane at 263 K on five activated carbons with different content of oxygenated groups and the immersion enthalpy of the activated carbons in hexane and water were determined in order to characterize the interactions in the solid-liquid system, and for calculating the hydrophobic factor of the activated carbons. The micropore volume and characteristic energy from adsorption isotherms of hexane, the BET (Brunauer-Emmett-Teller) surface area from the adsorption isotherms of N2, and the area accessible to the hexane from the immersion enthalpy were calculated. The activated carbon with the lowest content of oxygenated groups (0.30 µmolg-¹) and the highest surface area (996 m²g-¹) had the highest hexane adsorption value: 0.27 mmol g-¹; the values for Eo were between 5650 and 6920 Jmol-¹ and for ΔHim were between -66.1 and -16.4 Jg-¹. These determinations allow us to correlate energetic parameters with the surface area and the chemical modifications that were made to the solids, where the surface hydrophobic character of the activated carbon favors the interaction.

Effect of Solution pH on the Adsorption of Paracetamol on Chemically Modified Activated Carbons.

Paracetamol adsorption in acidic, neutral and basic media on three activated carbons with different chemistry surfaces was studied. A granular activated carbon (GAC) was prepared from coconut shell; starting from this sample, an oxidized activated carbon (GACo) was obtained by treating the GAC with a boiling solution of 6 M nitric acid, so to generate a greater number of oxygenated surface groups. In addition, a reduced activated carbon (GACr) was obtained by heating the GAC at 1173 K, to remove the oxygenated surface groups. Paracetamol adsorption was higher for GACr due to the lower presence of oxygenated surface functional groups. Moreover, adsorption was highest at neutral pH. The magnitude of the interactions between paracetamol molecules and activated carbons was studied by measuring the immersion enthalpies of activated carbons in solution of paracetamol at different concentrations and pH values and by calculating the interaction enthalpy. The highest value was obtained for GACr in a paracetamol solution of 1000 mg L-1 at pH 7, confirming that paracetamol adsorption is favoured on basic activated carbons at pH values near to neutrality. Finally, the Gibbs energy changes confirmed the latter result, allowing explaining the different magnitudes of the interactions between paracetamol and activated carbons, as a function of solution pH.

Adsorption of Cd (II) on Modified Granular Activated Carbons: Isotherm and Column Study.

In this work, equilibrium and dynamic adsorption tests of cadmium Cd (II) on activated carbons derived from different oxidation treatments (with either HNO3, H2O2, or NaOCl, corresponding to GACoxN, GACoxP, and GACoxCl samples) are presented. The oxidation treatments determined an increase in the surface functional groups (mainly the acidic ones) and a decrease in the pHPZC (except for the GACoxCl sample). A slight alteration of the textural parameters was also observed, which was more significant for the GACoxCl sample, in terms of a decrease of both Brunauer-Emmett-Teller (BET) surface area and micropore volume. Adsorption isotherms were determined for all the adsorbents and a significant increase in the adsorption performances of the oxidized samples with respect to the parent material was observed. The performances ranking was GACoxCl > GACoxP > GACoxN > GAC, likely due to the chemical surface properties of the adsorbents. Dynamic tests in a fixed bed column were carried out in terms of breakthrough curves at constant Cd inlet concentration and flow rate. GACoxCl and GACoxN showed a significantly higher value of the breakpoint time, likely due to the higher adsorption capacity. Finally, the dynamic tests were analyzed in light of a kinetic model. In the adopted experimental conditions, the results showed that mass transfer is controlled by internal pore diffusion, in which surface diffusion plays a major role.

Vapour phase hydrogenation of phenol over rhodium on SBA-15 and SBA-16.

In the present work, mesoporous SBA-15 and SBA-16 were synthesised using classical methods, and their physicochemical properties were investigated by X-ray diffraction (XRD), FTIR, TEM and N2 adsorption-desorption. Rhodium (Rh, 1 wt %) was loaded on the mesoporous SBA-15 and SBA-16 by an impregnation method. The Rh surface coverage, dispersion and crystallite size were determined by room temperature H2 chemisorption on reduced samples. The catalytic activity of Rh supported on mesoporous SBA-15 and SBA-16 was evaluated for the first time in the hydrogenation of phenol in vapour phase in a temperature range between 130 and 270 °C at atmospheric pressure. The reaction over Rh/SBA-15 at 180 °C produced cyclohexanone as the major product (about 60%) along with lower amounts of cyclohexanol (about 35%) and cyclohexane (about 15%). The influences of temperature, H2/phenol ratio, contact time and the nature of the solvent on the catalytic performance were systematically investigated. The Rh/SBA-16 system offered lower phenol conversion compared to Rh/SBA-15, but both have a very high selectivity for cyclohexanone (above 60%).

Competitive Adsorption of Caffeine and Diclofenac Sodium onto Biochars Derived from Fique Bagasse: An Immersion Calorimetry Study.

Pharmaceuticals, including caffeine (CFN) and diclofenac sodium (DCF), are a group of emerging pollutants which have the capacity to prompt harmful effects in flora and fauna, even at relatively low concentrations. Additionally, CFN has been determined as one of the most ubiquitous active compounds in the natural environment, whereas DCF is a widely used nonsteroidal anti-inflammatory drug that has been detected in environmental sources around the world. Conversely, the fique is a plant of the Agavaceae family and of the Fucraea genus.Two native species are cultivated in Colombia, Furcraea cabuya and Furcrae macrophylla, in order to extract their fiber, but in this process a lot of waste is produced. In this study, with the fique residues, thermochemical treatments were carried out and 5 biochar samples were obtained, which were calorimetrically characterized and used to investigate their behavior in competitive adsorption of DCF and CFN. The results of the calorimetric studies show that the biochar prepared from fique bagasse have different porous and chemical characteristics, which is related to the different treatments that were used at the time of their preparation. In addition, it was established that the results of the adsorbate-adsorbent interactions determined by calorimetry allow correlation of the adsorption processes of the molecules under study (CFN and DCF). The results show that the NaOH fique biochar (FB850-3Na) presents the highest adsorption capacity in both simple and competitive tests.

Mechanochemical Degradation of Caffeine and Diclofenac Using Biochar of Fique Bagasse in the Presence of Al: Monitoring by Mass Spectrometry.

Much research has been carried out to remove emerging contaminants using diverse materials. Furthermore, studies related to pollutant degradation have increased over the past decade. Mechanochemical degradation can successfully decompose molecules that are persistent in the environment. In this study, the biochar of fique bagasse with mixtures SiO2, Al, Al2O3, and Al-Al2O3 was treated with a mechanochemical technique using a planetary ball mill to investigate the degradation of caffeine and diclofenac. These tests resulted in the transformation of caffeine and diclofenac due to the use of Al employing mechanochemistry. In fact, through the use of liquid chromatography coupled with mass spectrometry, eight and six subproducts were identified for caffeine and diclofenac, respectively. Additionally, analysis of the molecules proposed for caffeine and diclofenac transformation suggested hydroxylation, demethylation, decarboxylation, oxidation reactions, and cleavage of the C-C and C-N bonds in the pollutants studied. The formation of these transformation products could be possible by reductant oxygen species generated from the molecular oxygen in the presence of aluminum and the energy delivered for ball milling. The results obtained show the potential application in the environmental management of mechanochemical treatment in the elimination of emerging contaminants caffeine and diclofenac.

CO2 adsorption on carbonaceous materials obtained from forestry and urban waste materials: a comparative study.

The increasing emissions of gaseous pollutants of anthropogenic origin, such as carbon dioxide (CO2), which causes global warming, have raised great interest in developing and improving processes that allow their mitigation. Among them, adsorption on porous materials has been proposed as a sustainable alternative. This work presents a study of CO2 equilibrium adsorption at low temperatures (0, 10, and 20 °C) over a wide range of low pressures, on activated carbon derived from Eucalyptus (ES) and Patula pine (PP) forest waste, and carbonaceous material derived from waste tires (WT). The precursors of these materials were previously prepared, and their physicochemical properties were characterized. ES and PP were thermochemically treated with phosphoric acid, and WT was oxidized with nitric acid. Additionally, these materials were used to obtain monoliths using uniaxial compaction techniques and different binding agents, with better results obtained with montmorillonite. A total of six adsorbent solids had their textural and chemical properties characterized and were tested for CO2 adsorption. The highest specific surface area (1405 m2 g-1), and micropore properties were found for activated carbon derived from Eucalyptus whose highest adsorption capacity ranged from 2.27 mmol g-1 (at 0 °C and 100 kPa) to 1.60 mmol g-1 (at 20 °C and 100 kPa). The activated carbon monoliths presented the lowest CO2 adsorption capacities; however, the studied materials showed high potential for CO2 capture and storage applications at high pressures. The isosteric heats of adsorption were also estimated for all the materials and ranged from 16 to 45 kJ mol-1 at very low coverage explained by the energetic heterogeneity and weak repulsive interactions among adsorbed CO2 molecules.

Functional Activated Biocarbons Based on Biomass Waste for CO2 Capture and Heavy Metal Sorption.

Inexpensive porous activated biocarbons were prepared from biomass and agriculture waste following the method of thermal and hydrothermal carbonization and activation with superheated water vapor. The activated biocarbons were characterized by nitrogen adsorption-desorption at 77 K, SEM, XRD, Raman spectrometry, FTIR spectroscopy, determination of particle size, and elemental composition by XRF. The specific surface area was in the range of 240-709 m2/g, and the total pore volume was from 0.12 to 0.43 cm3/g. The percentage of microporosity in activated biocarbons was 89-92%. These activated biocarbons have been used for CO2 and heavy metal sorption. Activated biocarbons based on pine cones and birch prepared by thermal carbonization and activation with superheated water vapor had the highest ability to capture CO2 and amounted to 6.43 and 6.00 mmol/g at 273 K, as well as 4.57 and 4.22 mmol/g at 298 K, respectively. The best activated biocarbon was characterized by unchanged stability after 30 adsorption and desorption cycles. It was proved that the adsorption of CO2 depends on narrow micropores (<1 nm). Activated biocarbons have also been analyzed as effective adsorbents for removing Cu2+, Zn2+, Fe2+, Ni2+, Co2+, and Pb2+ ions from aqueous solutions. Activated biocarbons are effective adsorbents for the removal of lead and zinc ions from aqueous solutions.

Sulfur-Doped g-C3N4 Heterojunctions for Efficient Visible Light Degradation of Methylene Blue.

The discharge of synthetic dyes from different industrial sources has become a global issue of concern. Enormous amounts are released into wastewater each year, causing concerns due to the high toxic consequences. Photocatalytic semiconductors appear as a green and sustainable form of remediation. Among them, graphitic carbon nitride (g-C3N4) has been widely studied due to its low cost and ease of fabrication. In this work, the synthesis, characterization, and photocatalytic study over methylene blue of undoped, B/S-doped, and exfoliated heterojunctions of g-C3N4 are presented. The evaluation of the photocatalytic performance showed that exfoliated undoped/S-doped heterojunctions with 25, 50, and 75 mass % of S-doped (g-C3N4) present enhanced activity with an apparent reaction rate constant (kapp) of 1.92 × 10-2 min-1 for the 75% sample. These results are supported by photoluminescence (PL) experiments showing that this heterojunction presents the less probable electron-hole recombination. UV-vis diffuse reflectance and valence band-X-ray photoelectron spectroscopy (VB-XPS) allowed the calculation of the band-gap and the valence band positions, suggesting a band structure diagram describing a type I heterojunction. The photocatalytic activities calculated demonstrate that this property is related to the surface area and porosity of the samples, the semiconductor nature of the g-C3N4 structure, and, in this case, the heterojunction that modifies the band structure. These results are of great importance considering that scarce reports are found concerning exfoliated B/S-doped heterojunctions.

Relation between the adsorbed quantity and the immersion enthalpy in catechol aqueous solutions on activated carbons.

An activated carbon, Carbochem(TM)-PS230, was modified by chemical and thermal treatment in flow of H(2), in order to evaluate the influence of the activated carbon chemical characteristics in the adsorption of the catechol. The catechol adsorption in aqueous solution was studied along with the effect of the pH solution in the adsorption process of modified activated carbons and the variation of immersion enthalpy of activated carbons in the aqueous solutions of catechol. The interaction solid-solution is characterized by adsorption isotherms analysis, at 298 K and pH 7, 9 and 11 in order to evaluate the adsorption value above and below that of the catechol pK(a). The adsorption capacity of carbons increases when the solution pH decreases. The retained amount increases slightly in the reduced carbon to maximum adsorption pH and diminishes in the oxidized carbon. Similar conclusions are obtained from the immersion enthalpies, whose values increase with the solute quantity retained. In granular activated carbon (CAG), the immersion enthalpies obtained are between 21.5 and 45.7 J·g(-1) for catechol aqueous solutions in a range of 20 at 1500 mg·L(-1).

Kinetic Study of Waste Tire Pyrolysis Using Thermogravimetric Analysis.

The influence of particle size (0.3 and 5.0 mm) and heating rate (5, 10, and 20 °C min-1) on the kinetic parameters of pyrolysis of waste tire was studied by thermogravimetric analysis and mathematical modeling. Kinetic parameters were determined using the Friedman model, the Coats-Redfern model, and the ASTM E1641 standard based on Arrhenius linearization. In the Friedman model, the activation energy was between 40 and 117 kJ mol-1 for a particle size of 0.3 mm and between 23 and 119 kJ mol-1 for a particle size of 5.0 mm. In the Coats-Redfern model, the activation energy is in a range of 46 to 87 kJ mol-1 for a particle size of 0.3 mm and in a range of 43 to 124 kJ mol-1 for a particle size of 5.0 mm. Finally, in the ASTM E1641 standard, the activation energy calculated was between 56 and 60 kJ mol-1 for both particle sizes. This study was performed to obtain kinetic parameters from different mathematical methods, examining how the particle size and heating rate influence them.

Biogenic Hydroxyapatite Obtained from Bone Wastes Using CO2-Assisted Pyrolysis and Its Interaction with Glyphosate: A Computational and Experimental Study.

In this work, biogenic hydroxyapatite (BHap) obtained from cattle bone waste is proposed as an adsorbent of this dangerous pollutant. Density functional theory (DFT) and calorimetric studies were developed to study the interaction between BHap and glyphosate (GLY). A strong interaction was found in the experiments through the measurement of immersion enthalpy, confirmed by the exothermic chemisorption obtained with DFT calculations. These results suggest that hydroxyapatite is a promising adsorbent material for GLY adsorption in aqueous solutions. In addition, it was determined that the GLY-hydroxyapatite interaction is greater than the water-hydroxyapatite interaction, which favors the GLY adsorption into this material.