Dibutyl Ether Research Articles

Acrylic acid conformers and their interactions with dibutyl ether

Fourier Transform Infrared spectra of pure acrylic acid (ARA), dibutyl ether, and their binary solutions at various acid concentrations have been recorded. Density functional theory calculations on ARA monomers and dimers have been carried out. In addition to the cis–cis and trans–trans dimers, cis–trans dimers also exist in liquid acid. The dimer ring formed by carboxyl group has an asymmetry. The experimental asymmetric and symmetric hydroxyl and carbonyl stretching bands have been assigned. Shifts suffered by the absorption bands in binary solutions have been analyzed in view of the formation of heteromolecular hydrogen bonds.

Assessment of Indian black berry biodiesel characterisation and its suitability for the diesel engine applications with oxygenated fuel additives

The current study explores the novel biodiesel prepared from Indian blackberry seed oil by transesterification and characterisation for IBBME20 (20% Indian Black Berry Methyl Ester and 80% biodiesel). Further studies compiled on adding 5% and 10% of diethyl ether (DEE) and di-n-butyl ether (DBE) to IBBME 20 on a volume basis. Characterisation of test fuels with oxygenated additives revealed enhanced fuel properties. The results show a 5.4% increase in BTE for the 10% addition of DBE to the IBBME20 blend. Also, the engine tailpipe emissions, such as HC, CO and smoke opacity, are reduced significantly by 17.5%, 44.59% and 21.11% %, respectively, at full load for the IBBME 20 DBE 10 when contrasted with diesel. Furthermore, the NOX emissions are reduced by 3.42% and 2.1% for the IBBME 20 DBE 10 blend and IBBME 20 DEE 10 blend, respectively compared to the IBBME 20.

Experimental assessment of dibutyl ether on the performance, combustion and emission characteristics of the diesel engine fuelled with Indian Blackberry biodiesel

In this current research work, efforts are spent to evaluate a novel Indian Blackberry biodiesel competency and suitability for a direct ignition single-cylinder four-stroke CI engine. Transesterified biodiesel characterisation is carried out as per ASTM standards. It is found that biodiesel properties are within ASTM standard limits. From the test results of Indian Blackberry biodiesel blends (IBME10, IBME20 and IBME 30) at standard operating conditions, IBME 20 showed improved performance with lower exhaust emissions. Further, the additions of Dibutyl ether (DBE) to the IBME20 blend also inferred enhanced engine characteristics. The use of 10% DBE in the IBME20 blend has shown 5.7% increment in BTE and a drastic reduction of engine tailpipe emissions like HC by 20.77%, CO by 19.38%, NOx by 8.59% and smoke by 16.41% when compared to the IBME20 blend. Also, the usage of DBE in the IBME20 blend shows improved combustion characteristics throughout the engine operation.

Theoretical discussion on the Hydrogen Bond Interactions between Acrylic Acid dimer and dibutyl ether Monomer

Theoretical investigation has been carried out on various acrylic acid (AcA) dimers and dibutyl ether (DBE) + AcA complex structures. The frequency analysis of the structures reveals the dominating effect of dissociation/formation of AcAO-H⋯O=C(AcA) bonds in producing blue/red shifts of ν(O-H) and ν(C=O) bonds. The classical AcAO-H⋯O(DBE) H - bond has high interaction energy as per the NBO analysis. The ESP surface analysis signals that the mesomerism existed in the acid monomers and dimers gets suppressed in the H – bonded structures that have non – classical intermolecular interactions. The non-classical intramolecular H – bond and van der Waals interactions in the acid monomers, dimers and the heteromolecular complexes has been identified using the RDG isosurface. The ρ(r) at the BCP of classical hydrogen bonds of the dimers is slightly greater than the upper limit of the literature value. The ∇2ρr value suggests that the C=O/O-H bond is with the least/highest covalent character.

All green solvent engineering of organic–inorganic hybrid perovskite layer for high-performance solar cells

Solvent engineering technology is an important approach for fabrication of high quality perovskite films, and thereby high-performance perovskite solar cells (PSCs). However, it is strongly dependent on the usage of toxic solvents, including the host solvent and anti-solvent to prepare perovskite solutions and control the crystallization of perovskite films, respectively. The usage of toxic solvents poses a serious threat to the health of manufactures and the safety of environment. Therefore, the solvent toxicity has become a burning issue before the forthcoming commercialization of PSCs. Here, we report an all green solvent engineering to prepare high quality (FAPbI3)1-x(MAPbBr3)x (x = 0, 0.05) films, where a green Lewis base solvent of triethyl phosphate (TEP) is used to prepare (FAPbI3)1-x(MAPbBr3)x/TEP solution, and a non-polar solvent of dibutyl ether (DEE) is used as anti-solvent. In this approach, a new intermediate phase film is formed after spin-coating the (FAPbI3)1-x(MAPbBr3)x/TEP solution on substrates, followed by dropping of DEE during spinning, and subsequently convert into perovskite films by annealing. Finally, it enables a PCE of 18.65% (x = 0) and 20.13% (x = 0.05) basing on a typical device configuration of FTO/SnO2/Perovskite/Spiro-OMeTAD/Au, which is the highest value for the all green solvent processed PSCs. More importantly, the all green solvent engineering approach can also be used to prepare another typical perovskite of MAPbI3 films for efficient solar cells. Therefore, this work not only provides an universial approach to prepare typical organic–inorganic hybrid perovskite films, but also addresses the solvent toxicity during the production of perovskite films. The green solvent engineering may pave the way for future industrial scale production of PSCs under environment friendly conditions.

Modelling of laminar diffusion flames with biodiesel blends and soot formation

Modelling of soot formation and oxidation of biodiesel fuels is a challenge, due to the complexity of the chemical reactions and soot formation pathways. In this paper, the discretised population balance approach and a PAH-HACA based detailed soot model have been coupled with an in-house CFD code to simulate a laminar diffusion flame with blends of different components of oxygenated biodiesel fuel, and employed to predict combustion performance and soot formation. The simulation aims to reproduce a target experiment which investigated the effects of dibutyl ether (DBE) addition to the biodiesel surrogate (methyl decanoate, MD) by increasing the mole fraction of DBE from 0 to 40%. A combined and reduced MD–DBE–PAH mechanism developed from three sub-mechanism branches has been employed in the simulation. The simulation results show that temperature rises as the DBE percentage increases to 40%. The swallow-tail shape of the soot occurrence zone and the quantity of soot production are correctly predicted. Regarding the effect of soot suppression, the model has basically captured the reducing tendency of soot formation in the measurements as the DBE addition increases from 0% to 40%. Concentrations of PAHs and C3 species contributing to the formation of aromatic rings are slightly reduced due to the addition of DBE, which is a leading cause of soot suppression. However, on the whole, the numerical solution featured much smaller differences than those observed in the experiment among laminar flames with different MD/DBE ratios, because the combined MD–DBE–PAH mechanism only present a slight difference of concentrations of soot precursor species.

Combination of Theoretical and Experimental Insights into the Oxygenated Fuel Poly(oxymethylene) Dibutyl Ether from n-Butanol and Paraformaldehyde

Oxygenated fuel has the function of self-supplying oxygen during the combustion process, which can greatly improve emission performance and reduce diesel fuel soot production. In this paper, a novel oxygenated fuel poly(oxymethylene) dibutyl ether (PODBEn) is designed and synthesized through experiments in combination with density functional theory (DFT) calculation. The experimental results show that PODBEn has the advantages of high cetane number (73.6), moderate density (868 kg/m3), and low condensation point (−72 °C). According to the DFT calculation results, the molecular (PODBEn) polarity index of different polymerization degrees is similar to the value of diesel and has good mutual solubility with diesel. Moreover, the mechanism of the entire path of synthesis is calculated at the M06-2X/6-311G(d,p) level of theory. The energetic profile reveals that the rate-determining step is the nucleophilic addition step with the highest barrier energy (TS1 = 21.59 kcal/mol). This work provides a feasible method to synthesize high-performance oxygenated fuel PODBEn using NKC-9 ion-exchange resins.

Absorption and Fluorescence Properties of 3,6-bis(5-bromothiophen-2-yl)-2,5-bis(2-ethylhexyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione. A Covalent Fluorescence in Solution and in the Solid State

In the cuurent article, the photophysical properties of 3,6-bis(5-bromothiophen-2-yl)-2,5-bis(2-ethylhexyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione were investigated. The visible absorption bands at 527, 558 and 362 nm in propylene carbonate and the compound was found to be fluorescent in solution and in the plastic film with emission wavelengths between 550- 750 nm. The Stokes Shift of P.C., acetonitrile, diethyl ether, Tetrahydrofuran THF, cyclohexane, dibutyl ether, and dichloromethane DCM are 734, 836, 668, 601, 601, 719, and 804 cm-1 in respectively. The Stokes Shift Δ was less in THF and cyclohexane, than the solvents, which indicates that the energy loss is less between the excitation and fluorescence states. The photophysical characterizations were carried out on the compound in different solvents, the compound displays 12 nm red-shift in the absorption maximum in toluene compared with in propylene carbonate P.C, which the λmax was 558 nm in P.C. The compound displays 5 and 10 red-shifts in the absorption maximum in diethyl ether and dibutyl ether respectively. The absorption band is almost insensitive to the polarity of the solvent, showing only a slight red shift from 563 nm in diethyl ether to 569 nm in cyclohexane and also red shift from 558 nm in acetonitrile to 570 nm in toluene , which appreciably red-shifted depending on the polarity of the solvent. The emission maxima of the dye slightly shift more red region, such as DCM and toluene when compared this compound in other solvents. The dye showed a slight red shift ca. 5 nm on moving from the acetonitrile to the less polar solvent, such as dichloromethane DCM.

Process-oriented approach towards catalyst design and optimisation

Translation of catalysts developed in academia to industrial end-users remains a challenge due to a lack of knowledge about the impact of catalyst attributes on the whole process and vice versa. A systematic methodology is proposed that assesses these in terms of Key Performance Indicators (KPIs). As a case study, the dehydration of butanol to butenes and dibutyl ether is considered over H-ZSM5 and H-Beta catalysts. It is demonstrated that catalysts should be designed for complete conversion and high butene selectivity, as removal of unreacted 1-butanol requires a complex separation due to the thermo-physical properties of the product mixture.

Experimental and kinetic modelling studies on di-n‑butyl ether (DBE) low temperature auto-ignition

Di-n‑butyl ether (DBE), mainly derived from lignocellulosic biomass, is a long-chain linear ether that is regarded as a promising alternative for diesel in compression-ignition engines. Therefore, understanding of the auto-ignition characteristics of DBE is of great importance. In this work, ignition delay times (IDTs) of DBE/O2/N2 mixtures were experimentally measured on a rapid compression machine (RCM). The experiments were conducted at the compressed temperatures ranging from 525 to 707 K, the compressed pressures at 7 and 10 bar, and the equivalence ratios of 0.7, 1.0 and 1.4. A negative temperature coefficient (NTC) behavior was observed for the total IDTs in the tested temperature range. The effects of compressed temperature, compressed pressure, fuel fraction and oxygen fraction, on both the first-stage and total IDTs, were also discussed. Validated against the experimental measurements, two existing DBE chemical kinetic models were found to have less satisfactory performances for the IDT prediction. Therefore, a tuned model based on the Thion model was presented, and it was found to well capture the fuel NTC behaviors and improve the IDTs prediction at the test conditions. Moreover, the tuned model was tested against the measurements on IDTs and species mole fraction profiles in the literature. The tuned model reasonably predicts the measured IDTs on a shock tube at high temperatures and on a flow reactor at low temperatures. The double-NTC behavior of DBE oxidation observed in jet-stirred reactor (JSR) and plug flow reactor (PFR) experiments can be also reasonably predicted.

Potential of Di-n-Butyl Ether as an Alternative Fuel for Compression Ignition Engines with Different EGR Rates and Injection Pressure

AbstractThe high-pressure injection strategy for di-n-butyl ether (DBE)-diesel fuel blends reduces particulate matter emissions. Exhaust gas recirculation (EGR) technology was used to decrease NOx ...

Ambient-air fabrication of stable mixed cation perovskite planar solar cells with efficiencies exceeding 22% using a synergistic mixed antisolvent with complementary properties

Perovskite solar cells (PSCs) employing formamidinium (FA) based mixed cation perovskites are inherently susceptible to moisture due to the easy bonding of their FA moieties with H2O. Thus, for the one-step antisolvent synthesis of FA-based devices, strictly controlled environment such as N2-filled glove box or dry room is essential, which makes the easy manufacturing of low-cost PSCs difficult. Here, utilizing the complementary properties of dibutyl ether (DB) and diethyl ether (DE), an innovative mixed antisolvent approach that is not sensitive to moisture is proposed. FA-based planar PSCs are fully synthesized under ambient-air conditions with a relative humidity of >40% using an antisolvent washing technique with mixed DB/DE and single DE. The lattice expansion induced by the binding of water molecules on the surface of FA-containing perovskites synthesized by a single antisolvent was predicted by calculations based on the density functional theory. It was verified that the resultant tensile stress was substantially reduced when mixed DB/DE was used. Planar PSCs based on the DB/DE mixed antisolvent treated (FAPbI3)0.95(MAPbBr3)0.05 and Cs0.01FA0.94MA0.05PbI2.85Br0.15 films exhibited the best power conversion efficiencies (PCEs) of 20.55% and 22.06%, respectively, which are record efficiencies among the ambient-air processed PSCs. In addition, planar perovskite devices treated with DB/DE antisolvent showed reduced hysteresis and high stability, wherein PCE of more than 90% was retained for up to 1300 h without encapsulation.

Effects of oxygenated fuel pertaining to fuel analysis on diesel engine combustion and emission characteristics

The fossil fuel concerns pertaining to the cost augmentation, depletion and environmental issues needs to be supported by alternative fuel. This work reports the suitability of tri-fuel blend (diesel, ethanol and di-butyl ether) prepared in various proportions. The tri-fuel blend proportions were endorsed through the high performance thin layer chromatography using the TLC plates. The analysis of variance revealed that the measurements are within 5% of acceptable limits. In addition, the tri fuel blends were investigated on a diesel engine for its performance, emission and combustion characteristics with different engine operating conditions. The qualitative analysis and engine experimentation confirmed the superior agreement within the acceptable limit. The oxygenated fuel blend enlightens the suitability of D40 BE60 blend among the different fuel proportions. The experimentation results disclosed better fuel economy and significant reduction in NOx and smoke emissions. A substantial decrease in smoke density and NOx to the maximum of 43.2% and 17.1% respectively is observed. The D40 BE60 (DBE 45% and ethanol 15%) features an improved heat release rate and also reduced emissions in the diesel engine. Moreover, the exploit of di-butyl ether and ethanol reveals substantiate enhancements in terms of performance and reduction in emission characteristics as compared with diesel. In place of diesel, the proposed fuel blend can be employed, which would contribute less emissions to the environment.

Dynamics of pathomorphological changes in the structural organization of the intervertebral disc at the end of the seventh and fourteenth day of experimental opioid exposure at the ultrastructural level

In general, the modern literature pays attention to the issues of spine pathology and intervertebral discs. A significant percentage of vertebral disorders - scoliosis, osteochondrosis, spinal disc herniation, etc., occur as a result of exposure to various factors and manifest in changes of the intervertebral discs. The aim of our work was to study at the ultrastructural level the features of pathomorphological manifestations in the structural components of the intervertebral disc at the end of the seventh and fourteenth days of experimental opioid exposure. Materials and methods of research. The objects of the study were 32 sexually mature, white, male rats, weighing 92 - 103 g, aged 4.5 months. Animals were injected with nalbupine intramuscularly once daily (at 10-11 a.m.) for 14 days. The initial dose of nalbuphine was 8 mg/kg during the first week, 15 mg/kg during the second week. It created the conditions of chronic opioid exposure. Before sampling, the animals were withdrawn from the experiment using dibutyl ether. Intervertebral discs of rats were used as a material for ultrastructural study. Ultrastructural specimens were prepared according to the accepted methods. The results of the study. As a result of the sampling after 7 days of opioid exposure we found inhomogeneous osmiophilicity and compaction of the nucleus pulposus matrix in which intensively accumulated osmiophilic grains of glycogen proteoglycans, increased the number of collagen fibers, some of them were heterogeneous. It was also noted the development of moderate degenerative changes in some notochondral cells, which was accompanied by increased vacuolization of the cytoplasm by inhomogeneous compaction of the nucleus and an increase of heterochromatin there. After 14 days necrotic changes in the cells of the nucleus pulposus, as well as the destruction of collagen fibers of the annulus fibrosus were found. In particular, an increase in the amount of heterochromatin in the nucleui of notochondral cells, which was accompanied by a decrease in the volume of the nucleui and inhomogeneous swelling of the cytoplasm. Active fibroblasts were often visualized in the annulus fibrosus. Intense osmiophilicity and thickening of collagen fibers of the annulus fibrosus were observed in some areas of the fibrous ring. Focal destruction of collagen fibers was also noted. In the areas of destruction the fibrils of collagen fibers disintegrated into an inhomogeneous fine-grained stratified mass and were located loosely. Conclusions. At the end of the first week we found that the cytoplasmic processes of chondrocytes decreased in volume, shortened, underwent fragmentation and destruction, some of them detached from the surface of the plasmolemma. At the end of the second week signs of opioid exposure progressed and manifested by an increase in the destruction of cytoplasmic processes in chondrocytes. Also focal destruction of collagen fibers was noted.

Vapor–Liquid Equilibrium, Surface Tension, and Dynamic Viscosity for the Propan-1-ol + Dibutyl Ether Binary Mixture

Vapor–Liquid Equilibrium, Surface Tension, and Dynamic Viscosity for the Propan-1-ol + Dibutyl Ether Binary Mixture

Experimental data and modeling of liquid density, speed of sound, refractive index and derivative properties of ternary mixtures dibutyl ether + 1-butanol + heptane or + methylcyclohexane: Application of PC-SAFT equation of state

Thermophysical properties such as density, (ρ), speed of sound, (u), and refractive index, (nD), experimental data (549 points) are presented in this work at 0.1 MPa and 298.15 K for the following ternary mixtures: dibutyl ether (1) + 1-butanol (2) + heptane (3) and dibutyl ether (1) + 1-butanol (2) + methylcyclohexane (3) and their corresponding binary mixtures. In addition, derivative properties such as excess volume, (VE), deviations in speed of sound, (Δu), isentropic compressibility (ks), deviations in isentropic compressibility, (Δks), and deviations in refractive index, (ΔnD), were calculated from the presented measured data. The Redlich-Kister equation is used to correlate the calculated derivative properties. Therefore, the Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) Equation of State (EoS) is used to model the reported experimental data of density, and a good agreement is noticed between the experimental and the modeled data of density for different studied binary and ternary mixtures.

Antisolvent-assisted one-step solution synthesis of defect-less 1D MAPbI3 nanowire networks with improved charge transport dynamics

Abstract In this study, both one-dimensional (1D) and three-dimensional (3D) methylammonium lead iodide (MAPbI3) were successfully synthesized from the same starting precursor solution using a one-step in situ spin-coating process assisted by antisolvent washing with different ethereal solvents. Antisolvent washing with diethyl ether (DE) induced isotropic growth, resulting in dense 3D MAPbI3 films. However, washing with dibutyl ether (DB) having complementary properties promoted 1D directional growth to avoid steric hindrance in the DB/perovskite complex. Antisolvent DB having a lower vapor pressure than DE retarded the vaporization of dimethylformamide and facilitated the growth of larger grains with fewer defects through the slow crystallization. It was also found that long-chain induced 1D directional growth creates an internal compressive strain in the 1D NW film, which plays an important role in charge carrier dynamics. To compare the power conversion efficiency (PCE) and charge transport dynamics, planar solar cells based on both 1D and 3D perovskites were fabricated. 1D NW perovskite based devices achieved a longer lifetime and faster carrier transport owing to the limited ion migration in the presence of compressive strain, although the PCE (15.73%) of the 1D NW-based device was lower than that (18.73%) of the 3D bulk-based device due to inevitable pore incorporation. The improved charge carrier dynamics of 1D NW MAPbI3 can offer potential advantages in the development of optoelectronic devices.

Probing the nanofriction of non-halogenated phosphonium-based ionic liquid additives in glycol ether oil on titanium surface

The nanofrictional behavior of non-halogentated phosphonium-based ionic liquids (ILs) mixed with diethylene glycol dibutyl ether in the molar ratios of 1:10 and 1:70 was investigated on the titanium (Ti) substrate using atomic force microscopy (AFM). A significant reduction is observed in the friction coefficient μ for the IL-oil mixtures with a higher IL concentration (1:10, μ ∼ 0.05), compared to that for the lower concentration 1:70 (μ ∼ 0.1). AFM approaching force-distance curves and number density profiles for IL-oil mixtures with a higher concentration revealed that the IL preferred to accumulate at the surface forming IL-rich layered structures. The ordered IL-rich layers formed on the titanium surface facilitated the reduction of the nanoscale friction by preventing direct surface-to-surface contact. However, the ordered IL layers disappeared in the case of lower concentration, resulting in an incomplete boundary layers, because the ions were displaced by molecules of the oil during sliding and revealed to be less efficient in friction reduction.

Utilisation of advanced biofuel in CI internal combustion engine

In recent years, biofuels have been attracting more attention, especially in Europe, due to the new regulations concerning the improvement of renewables in fuel composition.The acid-catalysed alcoholysis reaction of the cellulosic fraction of raw and pre-treated lignocellulosic biomasses, using n-Butanol (n-BuOH) and diluted inorganic acid as homogeneous catalyst, produces a mixture mainly composed by Butyl Levulinate (BL) from cellulose, Dibutyl ether (DBE) from n-BuOH etherification and unreacted n-BuOH. This last can be then separated and recycled, so increasing the sustainability of the whole process.BL is directly obtained from cellulosic fraction of not edible biomass and represents a promising advanced biofuel. Therefore, in the different types of blends containing the main products obtainable from the one-pot alcoholysis of lignocellulosic biomasses, BL represents the effective renewable component of the fuel.In this work, different blends of BL/DBE mixed with Diesel fuel were tested in a small single-cylinder air-cooled Diesel engine with direct injection. Data concerning the measurement of pollutant emission, engine performance and combustion characteristics are reported. Results have been compared with those obtained fuelling the engine with a conventional Diesel fuel. The mixtures were prepared by using commercial reactants, characterized by compositions analogous to those of the reaction mixtures. The obtained results evidenced the potentiality of these novel blending mixtures to reduce the emissions of particulate without any increasing of NOx emission or changing in engine power and efficiency.

Measurements and modeling of the phase equilibria for the n-hexane + ethanol + dibutyl ether ternary mixture and its dibutyl ether sub-binary mixtures at 94 kPa

Experimental determinations and theoretical calculations of the phase equilibria for the n-hexane + ethanol + dibutyl ether ternary mixture and the n-hexane + dibutyl ether and ethanol + dibutyl ether binary mixtures are reported in this work at 94 kPa and over the isothermal range 332.3 K to 401.8 K. At the explored conditions, the phase equilibria are characterized by vapor liquid equilibria (VLE) which are measured in an all-glass dynamic VLE cell, whereas the theoretical modeling of the experimental VLE data are carried out by applying classical activity coefficients models (Wilson, and NRTL models), UNIQUAC method, and the molecular based statistical associating fluid theory with variable range using a Mie potential (SAFT-VR Mie) equation of state (EoS).Considering the experimental determinations, the VLE exhibits positive deviation from the Raoult’s law and a zeotropic behavior under the isobaric condition and the isothermal range. The thermodynamical trustworthiness of the measured VLE data is verified by standard consistency test for both binary and ternary mixtures. Based on the statistical evaluation of the dew and bubble points, the Wilson model displays the lower deviations for correlating the VLE of binary mixtures and also to predict the ternary mixture, but the SAFT-VR Mie EoS approach demonstrates a superior capability to model the phase equilibrium of the binary mixtures and to predict the ternary mixture. Finally, it is possible to state that the polarization contribution is not necessary for the mixtures explored in this work.