Ternary Mixtures Research Articles

Sustainable green synthesis of SnO2 quantum dots: A stable, phase-pure and highly efficient photocatalyst for degradation of toxic dyes

A facile, scalable, green, convenient, high yield and environmentally sustainable strategy has been devised to synthesize SnO2 quantum dots as fine amorphous powder using an aqueous extract of edible and abundantly available marine alga, Ulva sp. The phytochemicals present in the alga have served as capping and stabilizing agent in the synthesis. The structure, morphology, optical properties and chemical oxidation state of the materials were investigated by UV–Vis, FT-IR, Raman, XRD, XPS, TEM, SEM, EDAX and BET techniques. The size of as-synthesized SnO2 nanoparticles were <5 nm indicating the formation of quantum dots (QDs). Retrievable and reusable, the as prepared SnO2 QDs served as highly efficient photocatalyst for fast degradation of water soluble toxic dyes viz., methylene blue (MB), methyl orange (MO) and rhodamine B (RhB) individually, also their binary mixtures, MB-MO, MB-RhB and ternary mixtures MB-MO-RhB under naturally available scattered sunlight. A significant reduction in total organic carbon (TOC) by the SnO2 QDs catalyst suggests that it efficiently converted MB, MO, and RhB dyes into less harmful intermediate products or directly into CO2 and H2O, making them environmentally benign. The catalytic performances of the newly prepared material were assessed to be much higher than several reported SnO2 or metal doped SnO2 nanomaterials. The as-synthesized SnO2 QDs photocatalyst could be recovered reused for at least five consecutive catalytic cycles without any decline in efficiency indicating the high stability of the photocatalyst.

Applicability exploration and sustainable assessment of heat integration and vapor recompression heat pump to side-stream extractive distillation processes for separating ternary azeotropic system

The side-stream extractive distillation (SSED) process is attracting extensive attention due to its high energy efficiency for separating ternary azeotropic mixture. However, the correlation between the bottom temperature level of distillation columns depending on the flowrates and compositions of side streams and the introduction of heat integration (HI) and vapor recompression heat pump (VRHP) technology is ignored. In the work, a range of initialization extractive distillation processes including one conventional extractive distillation (CED) process and five SSED processes considering different flowrates, compositions, and feed locations of side streams are proposed for separating acetonitrile/isopropanol/water ternary azeotropic system. The optimization results with the minimum the total annual costs (TAC) as the optimization objective show that not all SSED schemes are superior to the CED separation process, and the SSED separation schemes can achieve up to a 2.72 % reduction in the TAC. Following that, the HI and VRHP assisted extractive distillation schemes are proposed based on the temperature levels between the top and bottom of different distillation columns and compressor restraints for the initialization extractive distillation schemes mentioned after optimization. Moreover, sustainable evaluations covering economy, energy consumption, environment, and energy utilization are implemented for the extractive distillation schemes proposed. The evaluation results indicate that the CED-HI scheme overcomes all SSED-HI and SSED-VRHP schemes in terms of economic costs, but the optimal SSED-HI processes can reduce 8.77 % of energy consumption and 4.73 % of CO2 emissions, while the energy utilization raised from 1.70 % to 1.78 % compared to the CED-HI process.

Design and energy-saving strategy of sustainable pressure-swing distillation with thermally and electrically coupled intensification for separating ternary mixture with multiple azeotropes

The separation of ternary mixtures that form multiple azeotropes is frequently encountered in industry. Benefiting from the pressure-sensitive nature of the azeotropic mixture, the pressure-swing distillation (PSD) is promising to realise the separation without introducing foreign solvents. However, the wide application of PSD seems challenging from an energetic point of view. This work has developed a sustainable PSD process with thermally and electrically coupled intensification to decrease energy consumption, taking the separation of homogeneous acetonitrile/ethanol/water mixture as a demonstrating example. Two conventional PSD processes with different product sequences are designed through the ternary phase diagram and further optimised using the NSGA-II, considering multiple objectives, including total capital cost, total operating cost, and CO2 emissions. The optimal solution is selected by the TOPSIS analysis for each sequence and is then intensified with thermal heat integration and electricity-driven heat pump techniques. The results show that, in comparison to the non-heat-integrated PSD process, the proposed intensified design can dramatically reduce the total annual cost by up to 48%, simultaneously decreasing CO2 emissions by up to 60% and boosting energy efficiency. The present study can be of reference for designing a sustainable PSD process in ternary azeotropic separation.

Electrochemical detection of heavy metal ions in water using MWCNT/ZnO nanocomposite

A nanocomposite of multi-walled carbon nanotubes (MWCNTs) decorated with zinc oxide nanoparticles (ZnO NPs) was fabricated via an in-situ hydrothermal approach and implemented as a modified electrode for stripping voltammetric detection of dissolved heavy metal ions. The MWCNT/ZnO exhibited a high specific surface area of 53 m2/g and charge transfer conductivity amplified to 26 S/cm. By square wave voltammetry, the nanocomposite sensor achieved wide linear detection of Cu(II) from 1 to 800 ppb, Pb(II) from 5 to 1000 ppb, and Hg(II) from 1 to 900 ppb, along with low limits of detection reaching 0.8, 1.2, and 0.7 ppb, respectively. The 3–5X enhanced sensitivity versus an unmodified screen-printed carbon electrode confirms performance gains supplied by the tailored hybrid interface. Selectivity testing produced distinct, well-resolved oxidation peaks for each metal ion target that remained unaffected by high off-target concentrations of Mn(II), Co(II), and Fe(III) interferents. Accurate spike recoveries between 95% and 102% were obtained from quantifying ternary mixtures across various Cu(II):Pb(II):Hg(II) compositions, substantiating the capability for simultaneous multianalyte analysis. The simple preparation, high sensitivity and selectivity, and accuracy for direct water testing validates the nanocomposite as a practical portable sensor for on-site toxic heavy metal detection.

Technofunctional Properties and Rheological Behavior of Quinoa, Kiwicha, Wheat Flours and Their Mixtures.

Wheat flour is a common raw material in the food industry; however, Andean grains, such as quinoa and kiwicha, are gaining popularity due to their quality proteins, fiber, and bioactive compounds. A trend has been observed toward the enrichment of products with these Andean flours, with them even being used to develop gluten-free foods. However, evaluating interactions between raw materials during industrial processes can be complicated due to the diversity of inputs. This study focused on evaluating the technofunctional and rheological properties of wheat, quinoa and kiwicha flours using a simple lattice mixture design. Seven treatments were obtained, including pure flours and ternary mixtures. Analyses of particle size distribution, water absorption index, subjective water absorption capacity, soluble material index, swelling power, apparent density and physicochemical properties were performed. Additionally, color analysis, photomicrographs and Raman spectroscopy were carried out. The results indicate significant differences in properties such as particle size, water absorption and rheological properties between the flours and their mixtures. Variations in color and microstructure were observed, while Raman spectroscopy provided information on molecular composition. These findings contribute to the understanding of the behavior of Andean flours in baking and pastry making, facilitating their application in innovative food products.

Viscosities and Densities of Binary and Ternary Mixtures of Aliphatic and Polyaromatic Hydrocarbons: Pyrene +1-Methylnaphthalene + Dodecane at T = (293.15 to 343.15) K. Experiment and Modeling.

This work presents new experimental viscosity and density data for aromatic and polyaromatic compounds in binary and ternary pyrene, 1-methylnaphthalene, and dodecane mixtures. The lack of experimental viscosity data for these mixtures requires the development of a new database, which is vital for understanding the behavior of mixtures in more complex systems, such as asphaltenes and fuels. The mixtures proposed in this work have been measured over a temperature range of (293.15 to 343.15) K at atmospheric pressure. Several mixture compositions have been studied at these conditions: 1.0, 2.5, 5.0, 7.5, 10.0, 12.5, and 15.0% pyrene mass fraction. The concentration of pyrene correlates with an increase in the viscosity and density values. At the lowest temperature in binary mixtures, the corresponding values reach 4.4217 mPa·s for viscosity and 1.0447 × 103 kg·m-3 for density, respectively. In ternary mixtures, the introduction of dodecane leads to the lowest maximum values of 3.5555 mPa·s for viscosity and 1.0112 × 103 kg·m-3 for density at the same temperature. The experimental data have been employed for the specific modification of viscosity models. These modifications could facilitate the prediction of the viscosity of mixtures that are more complex than those presented in this work. Various viscosity models have been employed, such as Linear, Ratcliff and Khan, modified UNIFAC-Visco, and Krieger-Dougherty. The settings in the models used reliably reproduce the experiment reliably. However, the Ratcliff model agrees excellently with the experiment, having a low standard deviation (2.0%) compared to other models. Furthermore, a model based on the equation of state of Guo is proposed to predict the viscosity values by modifying the specific parameters and adjusting them to the mixtures proposed in this work. The results from this study are compared to previous work, where pyrene, toluene, and heptane mixtures were analyzed. In this case, we find that the decrease of aggregation grade in the present systems is predicted by the model fixed in this work.

Diffusiophoresis of Macromolecules within the Framework of Multicomponent Diffusion.

Diffusiophoresis is the isothermal migration of a colloidal particle through a liquid caused by a cosolute concentration gradient. Although diffusiophoresis was originally introduced using hydrodynamics, it can also be described by employing the framework of multicomponent diffusion. This not only enables the extraction of diffusiophoresis coefficients from measured multicomponent-diffusion coefficients but also their theoretical interpretation using fundamental thermodynamic and transport parameters. This review discusses the connection of diffusiophoresis with the 2 × 2 diffusion-coefficient matrix of ternary liquid mixtures. Specifically, diffusiophoresis is linked to the cross-term diffusion coefficient characterizing diffusion of colloidal particles due to cosolute concentration gradient. The other cross-term, which describes cosolute diffusion due to the concentration gradient of colloidal particles, is denoted as osmotic diffusion. Representative experimental results on diffusiophoresis and osmotic diffusion for polyethylene glycol and lysozyme in the presence of aqueous salts and osmolytes are described. These data were extracted from ternary diffusion coefficients measured using precision Rayleigh interferometry at 25 °C. The preferential-hydration and electrophoretic mechanisms responsible for diffusiophoresis are examined. The connection of diffusiophoresis and osmotic diffusion to preferential-interaction coefficients, Onsager reciprocal relations, Donnan equilibrium and Nernst-Planck equations are also discussed.

Pirarucu hydroxyapatite applied to ternary competitive adsorption of synthetic basic dyes as contaminants of emerging concern: kinetic, equilibrium, and ANN studies.

This study investigated the single and multicomponent adsorption of three emerging pollutants, the basic dyes Rhodamine 6G (R6G), Auramine-O (AO), and Brilliant Green (BG) by using hydroxyapatite synthesized from Pirarucu scales as adsorbent (HAP). The adsorption process was studied using seven different systems: AO-single, R6G-single, BG-single, R6G + AO, BG + AO, BG + R6G, and R6G + AO + BG. For kinetics, the initial concentration of each adsorbate per system was 50 mg/L, the results showed that the singular adsorption of these dyes was best-represented by the pseudo-second-order model (qAO = 62.54 mg/g, qR6G = 7.91 mg/g, qBG = 62.40 mg/g), however, the multicomponent adsorption was well-fitted by a pseudo-first-order model (ternary system: qAO = 56.21 mg/g, qR6G = 14.95 mg/g, qBG = 60.62 mg/g). For equilibrium, the initial concentration of each adsorbate per system was 10-300 mg/L, and the single adsorption systems were best represented by the Langmuir model. Nonetheless, the results displayed in the multicomponent mixture showed the presence of inflection points of AO and R6G whenever BG was present in solution with C0 > 150 mg/L, thus indicating that BG has greater affinity with HAP. The presence of inflection points in the curves represented a limitation for applying traditional equilibrium models, thus, an artificial neural network (ANN) was applied to non-linear curve fit this process and satisfactorily predicted the kinetics and equilibrium data. Finally, the analysis of thermodynamics for the ternary mixture revealed that the adsorption process is spontaneous (ΔG < 0), endothermic (ΔH > 0), and increases to a disorganized state as the temperature rises (ΔS > 0).

CFD‐ANN coupling model simulation of gas–solid feeding design for ternary biomass mixtures in bubbling fluidized bed gasifier

AbstractThe performance of continuous feeding fluidized bed reactors is significantly influenced by their design. These reactors can effectively operate with a wide range of biomass mixtures. Therefore, it is imperative to carefully design the gas distributor plate and solid tube inlet to ensure stable fluidization and uniform distribution of fluidizing gas and solid particles within the reactor. This study investigated the impact of gas–solid feeder design in bubbling fluidized bed gasifier for biomass mixtures on system hydrodynamics, employing a computational fluid dynamics–artificial neural network (CFD‐ANN) coupling model to achieve more realistic simulations. A 2k factorial experimental design was adopted to inquire the impact of gas and solid feeding systems. The responses under investigation included the gas–solid mixing index and the solid residence time, both of which hold pivotal roles in specific chemical processes related to biomass utilization in fluidized bed technology. All cases were successfully simulated, and the results uncovered that the position and length of the solid inlet tube wielded a significant influence on reactor performance, particularly concerning solid residence time. Furthermore, the designs of the gas distributor were identified as critical factors capable of enhancing system turbulence and mixing. In summary, the results showed the potential for enhancing reactor performance through the optimization of gas–solid feeding systems and underscored the efficacy of the ANN drag model in simulating continuous biomass gasification systems.

Augmenting the Efficacy of a Polyvinyl Alcohol Selective Layer Coated on Polyvinylidene Fluoride Support Membranes with Kaolinite Introduction for Improved Pervaporation Dehydration of Epichlorohydrin/Isopropanol/Water Ternary Systems.

Composite membranes with a polyvinyl alcohol (PVA) selective layer composed of well-dispersed hydrophilic kaolinite particles coated on a polyvinylidene fluoride (PVDF) support were developed. They were applied to the pervaporation dehydration of the industrially important epichlorohydrin (ECH)/isopropanol (IPA)/water ternary mixture. In comparison with raw kaolinite (RK), hydrophilic kaolinite (HK) enhanced the mechanical properties, hydrophilicity, and thermal stability of the PVA selective layer, as confirmed by universal testing, the contact angle, and TGA analyses, respectively. The pervaporation results revealed that the addition of HK particles significantly enhanced the separation factor (3-fold). Only a marginal reduction in flux was observed with ECH/IPA/water, 50/30/20 (w/w %) at 40 °C. An HK particle concentration of 4 wt.% with respect to PVA delivered the highest flux performance of 0.86 kg/m2h and achieved a separation factor of 116. The PVA-kaolinite composite membrane exhibited pronounced resistance to the ECH-containing feed, demonstrating a sustained flux and separation factor throughout an extended pervaporation stability test lasting 250 h.

Isohexide-Based Tunable Chiral Platforms as Amide- and Thiourea-Chiral Solvating Agents for the NMR Enantiodiscrimination of Derivatized Amino Acids.

New arylamide- and arylthiourea-based chiral solvating agents (CSAs) were synthesized starting from commercially available isomannide and isosorbide. The two natural isohexides were transformed into the three amino derivatives, having isomannide, isosorbide, and isoidide stereochemistry, then the amino groups were derivatized with 3,5-dimethoxybenzoyl chloride or 3,5-bis(trifluoromethyl)phenyl isothiocyanate to obtain the CSAs. Bis-thiourea derivative containing the 3,5-bis(trifluoromethyl)phenyl moiety with exo-exo stereochemistry was remarkably efficient in the differentiation of NMR signals (NH and acetyl) of enantiomers of N-acetyl (N-Ac) amino acids in the presence of 1,4-diazabicyclo[2,2,2]octane (DABCO). Nonequivalences in the ranges of 0.104-0.343 ppm and 0.042-0.107 ppm for NH and acetyl groups, respectively, allowed for very accurate enantiomeric excess determination, and a reliable correlation was found between the relative positions of signals of enantiomers and their absolute configuration. Therefore, a complete stereochemical characterization could be performed. Dipolar interactions detected in the ternary mixture CSA/N-Ac-valine/DABCO led to the identification of a different interaction model for the two enantiomers, involving the formation of a one-to-one substrate/CSA complex for (S)-N-Ac-valine and a one-to-two complex for (R)-N-Ac-valine, as suggested by the complexation stoichiometry.

Influence of calcined dam mud on the thermal conductivity of binary and ternary self-compacting concrete mixtures using the equivalent mortar method

Reducing energy consumption in concrete buildings requires cement-based structural materials that have low thermal conductivity. Moreover, low thermal conductivity is a crucial property of building materials used for thermal insulation to ensure the comfort of building occupants. The research evaluates the effect of using calcined mud (CM) and natural pozzolan (Pz) on the thermal conductivity of self-compacting concrete (SCC). To optimise SCC formulations, the equivalent concrete mortar method has been used. This communication mainly focuses on the equivalent self-compacting concrete mortars (ESCCMs). The current study consists of ten formulations: one control (based on Portland cement) and nine others containing binary and ternary systems of Portland cement, calcined mud, and natural pozzolan with 10%, 20%, and 30% replacement rates . The mixtures were prepared using tests of cement paste and equivalent mortar in a fresh state. Afterwards, they were assessed based on their compressive strength at 14, 28, 90, and 180 days and their thermal conductivity at 28 and 90 days in the hardened state. The self-compatibility, the thermal conductivity, and the mechanical performance results obtained by relevant tests on ESCCMs prove that the ternary systems (Portland cement, CM, and Pz) open up many techno-economic development avenues in SCC applications to be explored.

Detecting Olive Oil Fraud with Near-Infrared Spectroscopy and Chemometrics: A Modern Safety Control Approach

Background: Olive oil is one of the most essential components of the Mediterranean diet, obtained by mechanical extraction from the Olea europaea tree. Based on organoleptic properties (odor and taste) and the amount of free fatty acids, it is divided into three categories: Olive oil, virgin olive oil, and extra virgin olive oil. Due to the expensive production procedure of extra virgin olive oil, it is prone to adulteration with low-quality olive oils and other vegetable oils. Objectives: The current study focused on determining the authenticity of olive oil using near-infrared spectroscopy as a non-destructive method in conjunction with chemometrics. Methods: In this study, 100 samples of olive oils, comprising 34 domestic and 66 industrial olive oils, were purchased from the markets of Tehran and Roudbar. Common adulterants such as corn, canola, sunflower, and soybean oils were considered. Binary and ternary mixtures of olive oil with these vegetable oils were prepared and analyzed. Spectra were collected over the range of 12000 cm-1 to 4000 cm-1, and the data were preprocessed using SNV and Detrend before principal component analysis (PCA). Results: The results indicated that corn oil and canola oil were the dominant adulterants in the olive oil samples, likely due to their inexpensiveness and availability in Iran. Conclusions: Since multiple types of fraud were identified in the examined samples, it is recommended that future studies investigate other forms of fraud simultaneously. Additionally, the results demonstrated that principal component analysis could effectively categorize different samples with acceptable discrimination.

Study on the separation of methyl-ethyl-ketone / isopropanol / water ternary mixture by energy-efficient extractive distillation processes

The separation of ternary mixtures of methyl-ethyl-ketone (MEK)/isopropanol (IPA)/water, which are produced through chemical processes, is an imperative task aimed at reducing energy expenditures and mitigating environmental contamination. In the industry, Ethylene glycol (EG) and dimethyl sulfoxide (DMSO) are commonly employed as extractants. The selection of EG as the extractant was based on an investigation into the impact of relative volatility. Three distinct processes, namely conventional extractive distillation (CED), side-stream extractive distillation (SED), and heat pump extractive distillation (HPED), were evaluated by total annual cost (TAC), total energy consumption (TEC) and carbon dioxide emissions (CO2 emissions). The results demonstrate that both the enhanced SED and HPED processes effectively decrease energy consumption. Specifically, the TEC for the SED process exhibits a reduction of 15.36% compared to the CED process, resulting in a TAC saving of 9.06% and a decrease in CO2 emissions by 12.37%. Similarly, the HPED process surpasses the CED process by achieving a TAC saving of 15.41% and a CO2 emissions reduction of 22.61%. Consequently, this research presents a novel approach for the separation of MEK/IPA/water, offering significant practical implications.

The Rate Capability Performance of High-Areal-Capacity Water-Based NMC811 Electrodes: The Role of Binders and Current Collectors

The aqueous processing of cathode materials for lithium-ion batteries (LIBs) has both environmental and cost benefits. However, high-loading, water-based electrodes from the layered oxides (e.g., NMC) typically exhibit worse electrochemical performance than NMP-based electrodes. In this work, primary, binary, and ternary binder mixtures of aqueous binders such as CMC, PAA, PEO, SBR, and Na alginate, in combination with bare and C-coated Al current collectors, were explored, aiming to improve the rate capability performance of NMC811 electrodes with high areal capacity (≥4 mAh cm−2) and low binder content (3 wt.%). Electrodes with a ternary binder composition (CMC:PAA:SBR) have the best performance with bare Al current collectors, attaining a specific capacity of 150 mAh g−1 at 1C. Using carbon-coated Al current collectors results in improved performance for both water- and NMP-based electrodes. This is further accentuated for Na-Alg and CMC:PAA binder compositions. These electrodes show specific capacities of 170 and 80 mAh g−1 at 1C and 2C, respectively. Although the specific capacities at 1C are comparable to those for NMP-PVDF electrodes, they are approximately 50% higher at the 2C rate. This study aims to contribute to the development of sustainably processed NMC electrodes for high energy density LIBs using water as solvent.

Complete separation of benzene-cyclohexene-cyclohexane mixtures via temperature-dependent molecular sieving by a flexible chain-like coordination polymer

The separation and purification of C6 cyclic hydrocarbons (benzene, cyclohexene, cyclohexane) represent a critically important but energy intensive process. Developing adsorptive separation technique to replace thermally driven distillation processes holds great promise to significantly reduce energy consumption. Here we report a flexible one-dimensional coordination polymer as an efficient adsorbent to discriminate ternary C6 cyclic hydrocarbons via an ideal molecular sieving mechanism. The compound undergoes fully reversible structural transformation associated with removal/re-coordination of water molecules and between activated and hydrocarbon-loaded forms. It exhibits distinct temperature- and adsorbate-dependent adsorption behavior which facilitates the complete separation of benzene, cyclohexene and cyclohexane from their binary and ternary mixtures, with the record-high uptake ratios for C6H6/C6H12 and C6H10/C6H12 in vapor phase and highest binary and ternary selectivities in liquid phase. In situ infrared spectroscopic analysis and ab initio calculations provide insight into the host-guest interactions and their effect on the preferential adsorption and structural transformation.

Molecular sieving of iso-butene from C4 olefins with simultaneous high 1,3-butadiene and n-butene uptakes

Iso-butene (iso-C4H8) is an important raw material in chemical industry, whereas its efficient separation remains challenging due to similar molecular properties of C4 olefins. The ideal adsorbent should possess simultaneous high uptakes for 1,3-butadiene (C4H6) and n-butene (n-C4H8) counterparts, endowing high efficiency for iso-C4H8 separation in adsorption columns. Herein, a sulfate-pillared adsorbent, SOFOUR-DPDS-Ni (DPDS = 4,4′-dipyridyldisulfide), is reported for the efficient iso-C4H8 separation from binary and ternary C4 olefin mixtures. The rigidity in pore sizes and shapes of SOFOUR-DPDS-Ni exerts the molecular sieving of iso-C4H8, while exhibiting high C4H6 and n-C4H8 uptakes. The benchmark Henry’s selectivity for C4H6/iso-C4H8 (2321.8) and n-C4H8/iso-C4H8 (233.5) outperforms most reported adsorbents. Computational simulations reveal the strong interactions for C4H6 and n-C4H8. Furthermore, dynamic breakthrough experiments demonstrate the direct production of high-purity iso-C4H8 (>99.9%) from C4H6/iso-C4H8 (50/50, v/v), n-C4H8/iso-C4H8 (50/50, v/v), and C4H6/n-C4H8/iso-C4H8 (50/15/35, v/v/v) gas-mixtures.

Enhancing the Viability of a Promising E-Fuel: Oxymethylene Ether–Decanol Mixtures

Achieving sustainable mobility is a crucial factor in maintaining long-term economic growth without adverse effects on human health and the environment. E-fuels, such as the promising oxymethylene ether (OME), can contribute to sustainable road transport. However, this compound does not meet the requirements of EN590; thus, it is unsuitable for unmodified diesel engines. This work aims to improve the applicability of OME by blending it with n-decanol, which can also be produced sustainably. Combustion and emissions were investigated in a medium-duty commercial diesel engine with different binary and ternary mixtures of oxymethylene ether, n-decanol, and B7 diesel. Laboratory analysis of six key mixture parameters revealed that the formulated blends met the EN590 requirements, with the exception of that of density. The results demonstrated that the created mixtures, including one without any diesel fuel, can be efficiently utilized in unmodified diesel engines. OME’s beneficial effects on combustion and emission were preserved while its viability was improved; a maximum increase of 7.6% in brake thermal efficiency was observed, alongside a potential decrease of nearly 70% in PM emissions at unaltered NOx levels.

Molecular dynamics study of the thermodynamic properties of triglyceride/methanol mixtures in the presence of cosolvent

Biodiesel is a renewable source of energy that has the potential to replace fossil fuel-based resources. It is produced via the transesterification reaction in which a triglyceride reacts with methanol in the presence of a catalyst. Cosolvents are usually added to the reactants in transesterification to improve the mutual solubility of methanol and triglycerides and to create a single phase. The commonly used cosolvents in transesterification include tetrahydrofuran (THF) and diethyl ether (DEE). Understanding the thermodynamic properties of this system is important in the selection of cosolvent. In this study, molecular dynamics simulations were used to study the mixing behavior between the components of ternary mixtures of triolein/methanol/THF and triolein/methanol/DEE via the application of Flory-Huggins theory of solutions. A simple approach to calculation of the Flory-Huggins interaction parameters is used in which the mixing energy is derived from averaged non-bonded pair interaction energies. Apart from pure triolein, these ternary systems resemble the experimentally studied ternary systems employing various plant-based oils. The binary interaction parameters, Gibbs Free energy and chemical potentials of the components were calculated to study the mixing behavior. Our results show that along the experimental phase boundary the binary interaction parameters remain relatively unchanged with a deviation observed at the highest volume fractions of triolein where the highest binary interactions were observed indicating the possibility of phase separation. The Gibbs energy of mixing for the systems changed from positive to negative as one moves from two phase to single phase part of the ternary system as expected and in agreement with experimental data. The chemical potentials of the ternary mixture components were calculated from the partial derivatives of the Gibbs free energy of mixing. The activities calculated from Flory-Huggins chemical potentials were compared to those calculated using the UNIFAC model. There is good agreement between the two, with both able to predict a single and biphasic mixture. However, disagreements are noted at low and high concentrations of triolein.

Plastic pyrolytic oils as renewable fuel: improving its physical properties and ignition patterns by waste renewable source-an experimental analysis.

The increase in plastic products and disposal poses a severe environmental challenge because of their poor biodegradability and undesirable disposal by landfilling. Recycling is the best possible solution to the environmental challenges implemented by the plastic industry. Pyrolysis is a process that converts waste plastics into pyrolytic oil, and it can be used as fuel in a blended form. The viscosity and lubricity of the LDWP (low-density waste polyethylene) pyrolytic oil were lower than standard diesel. Capparis spinosa methyl ester (CME) is blended and experimented with to overcome the lubricity issue of pyrolytic oil. In this investigation, 5%, 10%, and 15% CME were blended with PD20 (20% LDWP oil + 80% diesel) blend on a volume basis. Experiments were conducted to examine the effects of CME on combustion, performance, and emissions using the combination of CME and PD20 blend tested at 0%, 25%, 50%, 75%, and 100% loading conditions. All three ternary mixtures showed enhanced combustion performance and increased NOx and smoke emissions. Due to better combustion, the efficiency of the blend PCD10 (10% CME + 20% LDWP oil + 70% diesel) was higher than the PD20 blend and significantly closer to diesel. Hence, PCD10 is suggested as an alternative to diesel fuel.