Search Results (9)

Over the last decades, Computational Fluid Dynamics (CFD) has become a fundamental tool for the design of gas turbine combustors, partly making up for the costs and duration issues related to the experimental tests involving high-pressure reactive processes. Nevertheless, high-fidelity simulations of reactive flows remain computationally expensive, particularly for conjugate heat transfer (CHT) analyses aimed at predicting liner metal temperatures and characterising wall heat losses. This work investigates the robustness of a cost-effective numerical setup for CHT simulations, focusing on the prediction of cold-side thermal loads in industrial combustor liners under realistic operating conditions. The proposed approach is tested using both Reynolds-Averaged Navier–Stokes (RANS) and unsteady Stress-Blended Eddy Simulation (SBES) turbulence models for the combustor flame tube, coupled via a time desynchronisation strategy with transient heat conduction in the solid domain. Cold-side heat transfer is modelled using a 1D correlation-based tool, runtime coupled with the CHT simulation to account for cooling-induced thermal loads without explicitly resolving complex cooling passages. The methodology is applied to a single periodic sector of the NovaLT^TM16 annular combustor, developed by Baker Hughes and operating under high-pressure conditions with natural gas. Validation against experimental data demonstrates the methodology’s ability to predict liner metal temperatures accurately, account for modifications in cooling geometries, and support design-phase evaluations efficiently. Overall, the proposed approach offers a robust trade-off between computational cost and predictive accuracy, making it suitable for practical engineering applications. Full article

In the quest for greener alternatives to conventional organic solvents, Deep Eutectic Solvents (DESs) have gained significant attention due to their sustainability, biodegradability, and tunability. The use of water as an active and genuine component has recently led to the emergence of water-based DESs (wb-DESs). Here, a careful experimental characterization was performed on choline acetate (ChAc)/water mixtures across a range of water:ChAc molar ratios (n = 2–6). Differential Scanning Calorimetry (DSC) revealed glass transitions between 150 and 180 K, with no first-order transitions, leading to a classification of these mixtures as Low Transition-Temperature Mixtures (LTTMs). Physicochemical measurements, including density, viscosity, electrical conductivity, and refractive index, were conducted over a broad temperature range. NMR analyses provided insights into dynamics and solvation environments, with ¹H T1_slow relaxation times reaching their lowest value at n = 2, consistent with the formation of a strong hydrogen-bonding network. The n = 2 mixture was further investigated using Small and Wide-Angle X-ray Scattering (S-WAXS) and ab initio molecular dynamics (AIMD). These studies, jointly with ¹H NMR choline diffusion coefficient, directly challenge previous claims of the existence of aggregation phenomena in wb-DES. The simulation revealed a well-organized solvation structure, where acetate and water synergistically stabilize the choline cation through a cooperative hydrogen-bonding network. These findings highlight the impact and significance of an integrated physicochemical study in guiding the rational development of new sustainable systems, such as wb-DESs. Full article

Low transition temperature mixtures (LTTMs) are a new generation of solvents that have found extensive application in organic synthesis. The interactions between the components often generate highly activated, catalytically active species, thus opening the possibility of using LTTMs as catalysts, rather than solvents. In this work, we introduce a nickel-based imidazolium LTTM, study its thermal behavior and explore its catalytic activity in the solvent-free allylation of heterocycles with allylic alcohols. This system is effective in this reaction, affording the corresponding products in excellent yield without the need for additional purifications, thus resulting in a very environmentally friendly protocol. Full article

5-Hydroxymethylfurfural (5-HMF) is a potential value-added product gaining popularity due to its wide range of applications. Glucose is widely used for 5-HMF production because it is abundant and more cost-effective than other resources. In the current research, a combination of microwave irradiation and low transition-temperature mixture (LTTM) for 5-HMF production was sustainably created. A preliminary study was conducted to derive 5-HMF using LTTM as a green solvent in various ratios of glucose: LTTM (MA/ChCl): water (10:100:15) and (10:48:100) via microwave heating at 90 °C for 10–60 min reaction time. The product analysis revealed that the 10:100:15 combination ratio of glucose: LTTM: water produced more 5-HMF (20.5%) than the 10:48:100 (0.28%) ratio. Following the preliminary results, an optimization study was conducted, focusing on the reaction temperature, LTTM mass, and water to assess the impact on 5-HMF yield and glucose conversion, using CCD in Design-Expert software. The quadratic model fit for 5-HMF yield and the 2FI model for glucose conversion yielded R² values of 0.9861 and 0.8610, respectively. Both responses had a significant p value of 0.0061 for glucose conversion and <0.0001 for 5-HMF yield. An optimum point was achieved at 100 °C, 100 g of LTTM, and 20 g of water, with an expected 5-HMF yield and glucose conversion of 45.77% and 69.03%, respectively. Full article

Most nonsteroidal anti-inflammatory drugs (NSAIDs) present poor aqueous solubility, impairing their efficiency in physiological media. In this context, Low Transition Temperature Mixtures (LTTMs) are a promising platform to overcome drugs’ poor solubility, forming therapeutic liquid formulations. In this work, the LTTMs of citric acid:L-arginine:water (C:A:W) and glycerol:sorbitol (G:S) were studied in terms of their features and assessed in terms of their ability to increase the solubility of six NSAIDs in physiological media. The physicochemical properties of LTTMs were characterized by state-of-art techniques commonly used for these systems. The cytotoxicity of G:S was also evaluated in L929 mouse fibroblasts and the viscosity, polarity, and pH properties of the studied mixtures were related to the solubility of NSAIDs. The pH and polarity were the parameters that most influenced the drugs’ solubility. Ibuprofen, naproxen, ketoprofen, indomethacin, and flurbiprofen did not present any solubility improvement in the formulations tested. However, concentrated mixtures of C:A:W or G:S in the physiologic-mimicked media (PBS) rendered a celecoxib solubility 4 and 5 times higher than PBS, respectively. These therapeutic liquid formulations of celecoxib in C:A:W or G:S can be a promising tool to increase celecoxib’s therapeutic efficiency in local applications. Full article

The use of psychoactive substances is a serious problem in today’s society and reliable methods of analysis are necessary to confirm their occurrence in biological matrices. In this work, a green sample preparation technique prior to HPLC-MS analysis was successfully applied to the extraction of 14 illicit drugs from urine samples. The isolation procedure was a dispersive liquid–liquid microextraction based on the use of a low transition temperature mixture (LTTM), composed of choline chloride and sesamol in a molar ratio 1:3 as the extracting solvent. This mixture was classified as LTTM after a thorough investigation carried out by FTIR and DSC, which recorded a glass transition temperature at −71 °C. The extraction procedure was optimized and validated according to the main Food and Drug Administration (FDA) guidelines for bioanalytical methods, obtaining good figures of merit for all parameters: the estimated lower limit of quantitation (LLOQ) values were between 0.01 µg L⁻¹ (bk-MMBDB) and 0.37 µg L⁻¹ (PMA); recoveries, evaluated at very low spike levels (in the ng-µg L⁻¹ range), spanned from 55% (MBDB) to 100% (bk-MMBDB and MDPV); finally, both within-run and between-run precisions were lower than 20% (LLOQ) and 15% (10xLLOQ). Full article

Olive leaves (OLL) represent a major waste generated during the production of olive oil, but there is a great potential for their valorization, because they provide important content in polyphenolic phytochemicals, which possess several bioactivities. In spite of the high number of studies dealing with polyphenol recovery from olive leaves, green processes involving environmentally benign solvents are scarce. In this study, a novel renewable natural low-transition temperature mixture (LTTM), composed of glycerol and sodium-potassium tartrate, was tested for its efficient ability to extract polyphenolic substances from OLL. The extraction process was optimised by using response surface methodology and the maximum yield in total polyphenols was 26.75 ± 3.22 mg caffeic acid equivalents per g dry weight, achieved with 50% (v/v) aqueous LTTM, liquid-to-solid ratio of 45 mL g⁻¹ and at 73 °C. The LTTM was proven to be equally effective with 60% aqueous methanol, but it displayed inferior antioxidant properties. Liquid chromatography-diode array-mass spectrometry analyses revealed no significant qualitative differences between the LTTM and the aqueous methanolic extract. Full article

Several low-transition temperature mixtures (LTTMs), based on l-lactic acid and amino acids but also choline chloride, were synthesized and screened for their effectiveness in extracting antioxidant phenolics from industrial cereal solid wastes. In most cases, highly efficient LTTMs were those composed of l-lactic acid and choline chloride, but LTTMs composed of l-lactic acid and glycine or alanine also exhibited comparable extraction capacity. The extract from barley bran was shown to express powerful antioxidant activity, which was significantly higher than all the other extracts examined. This fact was attributed to the particularly high content in total flavanols. The data suggested that the most effective solvents, as revealed herein, merit further investigation as very promising means of extracting valuable chemicals from industrial agri-food residues. Additionally, barley bran should be more thoroughly examined for its prospect as a waste source of effective antioxidants, which could be used as nutritional supplements and active cosmetic ingredients. Full article

A novel natural low transition temperature mixture (LTTM), composed of glycerol and ammonium acetate (molar ratio 3:1), was tested for its efficacy as a solvent in recovering phenolics from chlorogenate-rich agri-food solid wastes, including potato peels (PPs), eggplant peels (EPPs), and spent filter coffee (SFC). The efficacy of this solvent was compared with other eco-friendly solvents, including aqueous glycerol, aqueous ethanol, and water. The LTTM was demonstrated to be by far the most efficient in extracting chlorogenates and superior or equally efficient with the other solvents in recovering flavonoids. LTTM extracts produced from waste were also more potent radical scavengers, but results on the reducing power were inconclusive. Liquid chromatography-diode array-mass spectrometry analysis showed that the polyphenolic profiles of all waste extracts obtained with the LTTM were rich in caffeoylquinic and p-coumaroylquinic acid conjugates. Full article