Di Tert-butyl Research Articles

Exposure the role of hydrogen with algae spirogyra biodiesel and fuel-borne additive on a diesel engine: An experimental assessment on dual fuel combustion mode

This investigation is focused on the study of the overall performance of a single-cylinder diesel engine with the use of 99.99 % pure elemental hydrogen (H2), as a gaseous fuel and algae Spirogyra biodiesel 30 % (SBD30) with 1.5 % Di-tert Butyl Peroxide (1.5%DTBP) as cetane improver and 2 % Algae Residual Carbon Nanoparticle (2%ARCNP). During the investigation, the hydrogen flow rate was controlled by an electronic gas injector and varied in the range of 5–20 lpm in the increment of 5 lpm. Among the fuel blends SBD30 + 1.5%DTBP+2%ARCNP+15H2 acted as a good combination to reduce ID and CD; and to boost HRR, BTE, and EGT. Additionally, this resulted in a drastic decline in the emission components such as HC, CO, and smoke. However, a surge in NO was observed for all the fuel sampled by the induction of H2. For SBD30 + 1.5%DTBP+2%ARCNP+15H2 a shorter ID and CD were observed at 7.2°CA and 34.5 °CA than diesel respectively at full load. The MCP for SBD30 + 1.5%DTBP+2%ARCNP+15H2 was 81 bar which occurred at 9.2°CA, however, the HRR was 61.3 J/°CA which was 1.2 % lower than that of 20 LPM hydrogen flow rate, at full load respectively. By using hydrogen + DTBP + ARCNP, the BSFC was overall lower by about 22 % and the BTE was improved by about 36.1 %. The CO, HC, and smoke for SBD30 + 1.5%DTBP+2%ARCNP+15H2 was 64.8 %, 38.8 %, and 29.2 % lower than diesel however, the NO emission was 32.6 % higher than diesel at full load respectively.

Analysis of the behavior of a gas-generating system under runaway conditions in a closed vessel

In the event of a runaway reaction, emergency relief systems (ERS) act as the last line of defense against the vessel explosion. To date, ERS design for scenarios involving the runaway of chemical mixtures that generate gaseous reaction products remains very challenging as it requires the prediction of the gas generation rate under runaway conditions at large scale. Current methodologies for the assessment of the gas generation rate are based on pseudo-adiabatic calorimetric experiments at laboratory scale in which the temperature and pressure profiles resulting from the runaway are used to assess the gas generation rate using the ideal gas law. The gas generation rate needs to be further corrected for the thermal inertia (φ-factor), of the calorimetric cell used (φ>1) to predict large scale behavior (φ≈1). The work described in this paper focuses on evaluating the capability of this approach to accurately assess the gas generation rate. It uses a dynamic simulator tool based on rigorous thermodynamics to calculate the temperature, pressure, and the composition of each component in a closed vessel containing a gas generating reactive mixture (decomposition of 20 % w/w di-tert butyl peroxide in toluene) under runaway conditions over a range of initial vessel fill levels. The results were analyzed to develop a better understanding of the phenomena that govern the thermal behavior of the mixture, the overall pressurization of the vessel, rate of generation of the gaseous products and its distribution in the liquid and vapor phase of the vessel as the runaway reaction occurs. The simulated pressure, temperature and phase composition data rigorously calculated by the simulator were used to assess and highlight the limitations of using the temperature and pressure in a closed vessel and the ideal gas law to evaluate the gas generation rate. The simulations were also used to evaluate the validity of φ-factor correction methods currently available in the literature.

Effect on polytropic index, performance and emission of diesel engine using hydrogen as gaseous fuel with additive di-tert butyl peroxide

Diesel engines are commonly used due to its higher reliability and better fuel conversion efficiency. However, it produces exhaust emissions like carbon dioxide (CO2) and particulate matter (PM). Hydrogen gas is regarded as a clean fuel as it is free from carbon. The addition of hydrogen fuel enhances the burning rates and extends the flammability limits of fossil fuels, and therefore has the potential of reduced exhaust emission in diesel engines operating on dual fuel mode. This paper has investigated the effect of hydrogen addition to the performance and emissions of a single-cylinder diesel engine, working in dual fuel mode with additive di-tert butyl peroxide (DTBP). About 25% hydrogen was introduced into the cylinder on a mass basis via the engine intake manifold with the addition of additive di-tert butyl peroxide up to 5% in diesel fuel. In this experimental study, mean gas temperature, indicated mean effective pressure (IMEP), brake mean effective pressure (BMEP), polytropic index, and exhaust emissions were studied at medium (53%) and high (69%) load conditions. The indicated mean effective and brake mean effective pressure was 9.79 bar with a 3% addition of additive and 4.15 bar with the 5% addition of additive as compared with 8.71 bar and 4.11 bar diesel fuel operation. 16% hydrogen addition with 1% di-tert butyl peroxide, IMEP, and BMEP are 10.92 bar, and 4.14 bar respectively.

Phenol 2,4 di-tert butyl, Phenol 3,5 di-tert butyl and isoaromadendrane epoxide: Termiticidal compounds isolated from Lantana camara L.

Termite, a havoc for infrastructure and agriculture, is still progressing its realm and continue its devastating activity to human habitat. Conventional chemicals are not sufficient to prevent infestation and are hazardous too for environment. Lantana camara, an imported wild weed, was analysed to assess the termiticidal potential. Present study was carried out after survey of termite infestation in plants which indicated that L. camara was least affected by termites in studied area thus selected to check anti-termite property against one of the pests Odontotermes obesus (Rambur). An invasive O. obesus brought from crop fields and reared in laboratory by maintaining termite mould like environment in specialized termite box in which temperature was sustained at 27 ± 5 ºC and humidity at 70 ± 5%. No choice test assay proved L. camara methanolic leaf extract was most lethal as responsible to induce 100% mortality and phytochemically most diverse among others. Among isolated phytoconstituents, terpenoids showed 100% mortality at 250 µg concentration. Terpenoids further resolved to find active constituents in which mortality obtained between 5% and 51%. LC4 content was most lethal and induced 51.66% mortality while two other contents LC5 and LC6 showed 30% mortality. GC-HRMS analysis showed that the LC-4 contained Phenol 2,4 di-tert butyl while LC5 contained Phenol 3,5 di-tert butyl and LC6 contained isoaromadendrene epoxide as active phytoconstituents. The results indicated that the detected compounds can be useful termiticidal phytochemicals and might be applicable as bioinsecticide.

Effect of Di-tert Butyl Peroxide on Diesel Engine Performance Fuelled by Biodiesel Blends

This study is motivated by the fact that the vegetable oils are being considered as the fuel of the future for the internal combustion engines, especially the compression ignition engines which are working with diesel as fuel. Different approaches for using the vegetable oils in CI engines as fuel are either to modify the oils to match with that of diesel to run successfully with these oils. Fuel additives are compounds formulated to enhance the quality and efficiency of the fuels used in motor vehicles. There are several benefits associated with the use of fuel additives. Di-tert butyl peroxide (DTBP) is effective for enhance the quality and efficiency of the fuels used in CI engine. The investigation was to check the feasibility of di-tert butyl peroxide as an additive in different blends of diesel and jetropha bio-diesel on engine performance. The short-term tests on an unmodified diesel engine were conducted using the bio diesel and di-tert butyl peroxide blends (0, 10, 20, 30, 40, 50, and 100 per cent and 0, 0.5, 1.0, 1.5, 2.0, 2.5 per cent) with diesel. The engine performance and emission characteristics were measured during the short-term test. In all types of fuel, with increased percentage of load, brake specific energy consumption (BSEC) of the engine was observed to be decreased, on the other hand brake thermal efficiency, fuel consumption rate, sound level (db.), exhaust temperature, and the engine exhaust emissions like CO2, CO, HC and NOx was increased, respectively.

Numerical study on the load-range extension of gasoline-fueled homogeneous charge compression ignition combustion in a light-duty diesel engine

Recent research on homogeneous charge compression ignition (HCCI) engines has demonstrated that these engines can complement traditional compression-ignition engines. The higher octane number and vapor pressure make gasoline-like fuels more suitable for port fuel-injected HCCI engines. Doping gasoline with ignition promoters eliminates intake charge preheating or turbocharging requirements and reduces cyclic variations in combustion, especially at lower engine loads. Seeding the intake charge with suitable diluents enables higher load extension of doped gasoline-fueled HCCI engines by preventing knocking. In the present study, HCCI experiments in a 0.662-litre, light-duty diesel engine using 2-Ethylhexyl nitrate (EHN)/gasoline blends formed a database for validating computational fluid dynamic (CFD) simulations. The CFD tool could capture the qualitative trends of HCCI combustion, performance, and emission parameters. The validated CFD tool was then used to investigate a suitable ignition promoter other than EHN to blend with gasoline such that a constant combustion phasing was achieved. Di-tert butyl peroxide (DTBP), hydrogen peroxide, nitric oxide, nitrogen dioxide (NO2), and ozone were the investigated ignition promoters. Further, the effects of adding diluents, including exhaust gas recirculation, nitrogen, carbon dioxide (CO2), and water vapor (H2O) on EHN-gasoline HCCI combustion, were studied for a constant combustion phasing retardation of 5 °CA towards aTDC. The primary objective of the present study was to select the most suitable ignition promoter and diluent for gasoline-fueled HCCI combustion. The results show that the least quantity of EHN and CO2 was required to control HCCI combustion phasing among the tested ignition promoters and diluents. Using NO2 as an ignition promoter and H2O vapor as a diluent improved the gross indicated thermal efficiency by 24% and 17%, respectively, compared to DTBP and EGR, which produced the lowest gross indicated thermal efficiency.

Desulfurization of raw naphtha cuts using hybrid systems based on acoustic cavitation and advanced oxidation processes (AOPs)

A combination of dual-frequency acoustic cavitation (acoustic cavitation) and UV assisted advanced oxidation processes (AOPs) reaction system was developed for desulfurization of raw naphtha used to produce aviation fuels. Various types of oxidants in hybrid systems including hydrogen peroxide, acetic acid, acetone, air and ozone were compared. At optimum oxidant to sulfur compounds molar ratio (rox) of 5.0, the hybrid process of acoustic cavitation /acetic acid/hydrogen peroxide (acoustic cavitation/peracetic acid) was the most effective treatment process with synergistic index of 7.55 and desulfurization efficiency of 100% (highest reaction rate constant of 0.1337 min-1) for all sulfur compounds present in naphtha within the short reaction time of 30 min. At rox of 0.5 and 1.0, the synergy coefficients of 3.77 and 5.41 corresponding to the desulfurization efficiencies of 93.07 and 95.10% were obtained in 180 min, respectively. Comparatively, at the rox of 5.0, the efficiency of acoustic cavitation combined with hydrogen peroxide alone and acetic acid alone was 63.68 and 47.36%, respectively. Alternative treatment process of acoustic cavitation /UV/acetone/water can be used for the complete desulfurization (100%) of specific sulphur compounds including dibutyl sulfide, di-tert butyl disulfide, 1,4-butanedithiol and benzyl thiol considering the optimum acetone to water ratio of 2:1. All acoustic cavitation-based treatment systems followed the pseudo first order kinetic model. The most expensive process was ozone-aided acoustic cavitation with treatment costs exceeding 100 USD m-3. The peracetic acid-based system was the most economic process with a treatment cost of 15 USD/m3 with electric energy consumption of 100.17 kWh/m3.

Synthesis and application of SBA-15-supported CuO as an efficient catalyst for the oxidative C(sp2)-O coupling reaction

SBA-15-supported CuO was synthesized via wet impregnation of SBA-15 with copper (II) acetylacetonate followed by calcination in the static air. The BET surface area of the Cu-containing SBA-15 was approximately 600 m2/g, which significantly decreased in comparison with that of as-synthesized SBA-15 silica (1081 m2/g). The successful loading of copper with a 3.20 wt.% content was determined by ICP-OES analysis, consistent with theoretical composition. However, no Cu-based phases were detected on the PXRD results and TEM images for CuO/SBA-15 showed regular hexagonal meso channels remained, indicating that CuO species was well distributed in the SBA-15 framework via the applied synthetic procedure. Catalytic activity of SBA-15-supported CuO was investigated for the selective C(sp2)-O coupling reaction between salicylaldehyde and N, N-dimethylformamide (DMF) in the presence of di-tert butyl peroxide (DTBP) as an oxidant. Influence of the reaction conditions on the formation of desired product was studied including reaction time, temperature, reactant ratio, amount of catalyst and oxidant. The experimental results proved that the high activity of the prepared catalyst as the C(sp2)-O coupling product could be obtained in an excellent yield of 90% with only 3 mol% of SBA-15-supported CuO in the presence of 4 equivalents of DTBP at 120 °C in 2 hours.

Prediction-Optimization of the Effects of Di-Tert Butyl Peroxide-Biodiesel Blends on Engine Performance and Emissions Using Multi-Objective Response Surface Methodology

Abstract Alternative fuels, such as biodiesel, can be used in place of fossil fuels, although they have a greater viscosity and a longer igniting delay. To compensate for these limitations, several additives are added to biodiesel. The cetane improver di-tert butyl peroxide (DTBP) was investigated as an additive in this work. DTBP was shown to influence the combustion and emission properties of waste cooking oil biodiesel-diesel blends. The multi-objective response surface technique (MORSM) with Box-Behnken design was used to decrease the number of trials to conserve precious resources such as human effort, time, and money. Theil's uncertainty for the model's predictive capabilities (Theil's U2) was less than 0.1189, demonstrating its robustness. Nash-Sutcliffe efficiency was excellent (0.9885–0.9995), with a mean absolute percentage error of less than 1.32%. The engine operating parameters that were optimized were 71.64% engine load, 4964 ppm DTBP additive, and 24.98-deg advance ignition timing. The MORSM-based proposed technique's reliability and robustness validate the usage of DTBP with biodiesel blends, model prediction, and optimization.

Effect of addition of di-tert butyl peroxide (DTBP) on performance and exhaust emissions of dual fuel diesel engine with hydrogen as a secondary fuel

Today, the world faces a number of challenges on global level. The optimum replacement for fossil fuels is one of these challenges. Hydrogen in the past has been and continues to be used by numerous researchers in diesel engines. However, high NOx emissions and low replacement of hydrogen fuel are the concern with many researchers. In the present study, di-tert butyl peroxide (DTBP) has been used as an additive in diesel fuel, to investigate the performance and exhaust emissions of the diesel engine working on dual fuel mode by using hydrogen as secondary fuel. At low, medium and high load conditions, the maximum increase in brake thermal efficiency was observed to be 87.50%, 14.68% and 5.89% respectively for 1%, 3% and 5% of additive (DTBP) by 40% of hydrogen fuel substitution, as compared to diesel fuel operation. Moreover, by addition of 4% di-tert butyl peroxide (DTBP) in diesel engine working on dual fuel mode showed 33.82%, 10.27% and 29.27% reduction in NOx emission at low, medium and high load conditions respectively at 40% hydrogen substitution, as compared to dual fuel operation using hydrogen as secondary fuel without additives. By addition of 5% additive (DTBP) at 69% load condition and 40% hydrogen substitution, reduces CO emissions by 38.66% as compared to dual fuel operation, using hydrogen as secondary fuel.

Effect of di-tert butyl peroxide (DTBP) on combustion parameters and NOx in dual fuel diesel engine with hydrogen as a secondary fuel

Recently, the great challenges in the use of compression ignition (CI) engines are to reduce the reliance on conventional petroleum fuels and exhaust emissions. While the current available technologies for reducing engine emissions are nearly close to the limits of statute and those limits are expected to be, more stringent in the near future. Although hydrogen-diesel operation can provide significant benefits in thermal efficiency and harmful emissions, the combination of the two fuels, often leads to increased NOx emissions. To reduce the NOx emissions the addition of additive Di-tert butyl peroxide (DTBP) has a very good potential. The formation of NOx is depending upon reaction of atmospheric oxygen and nitrogen at elevated temperatures. Therefore, it is essential to study the effect of DTBP on net heat release rate and mean in-cylinder temperature which affects the formation of NOx.This paper presents the results of H2-diesel co-combustion in the diesel engine, working on dual fuel mode, with and without blending of additive (di tert butyl peroxide) in the diesel fuel. The net heat release (NHR) and in cylinder mean temperature have been analysed experimentally on the single cylinder power 3.5 KW @ 1500 rpm, four strokes, compression ignition, model Kirloskar TV1 diesel engine.It was observed that by 14% substitution of hydrogen and 1% of additive, net heat release and temperature decreased by 2 and 10% respectively, while, NOx get increased by 60% at high load condition as compared to diesel operation.In last, it is concluded that NOx formation is minimum by addition of 1% of DTBP with 14% of hydrogen in dual fuel diesel engine.

Experimental and theoretical investigation of the combustion characteristics of di-tert-butyl peroxide

Di-tert butyl peroxide is a commonly used cetane booster. It is a potential methyl radical source and therefore suited as a precursor for the investigation of elementary reactions including methyl radicals. In the present study, an independent approach of theory and pyrolysis experiments was used to determine the reaction rate constants for the most important DTBP-dissociation reactions which are the DTBP dissociation into two tert-butoxy (R1) and the subsequential β-scission (R2) to acetone and methyl. In the experimental part a Rapid Compression Machine (RCM) and a Shock Tube (ST) were used to measure pyrolysis times (PTs) and ignition delay times (IDTs) over a temperature range from 540 K to 650 K at pressures of 10 bar, 20 bar and 30 bar with different bath gases in airlike diluted atmospheres. The theoretical investigations considered the O–O dissociation of DTBP and the subsequent β-scission of tert-butoxy to acetone and methyl, treated via Transition State Theory (TST) and Phase Space Theory (PST) and at the DLPNO-CCSD(T)//DSDPBEP86 level of theory.The O–O dissociation rate constants were determined by experiments to kR1=2.941·1015·exp(−36672cal·mol−1/(R·T))·s−1 and the subsequent β-scission reaction rates can be expressed by kR2=5.077·1013·T0.223·exp(−11383cal·mol−1/(R·T))·s−1. The experimentally determined rate coefficients of R1 are within the assumed uncertainty of the theoretically obtained reaction constants, which was estimated to be ±1kcalmol−1 in the calculated energy barrier. In this work, a comparison of TST and PST-based rate coefficient showed the limits of TST for this kind of dissociation reactions and the predictivity of PST was proven. Additional, a comprehensive study of the oxidation of the DTBP products was carried out to outline the need for more research for key reactions of the methyl and acetone sub mechanisms.

Analysis of ignition delay by taking Di-tertiary-butyl peroxide as an additive in a dual fuel diesel engine using hydrogen as a secondary fuel

Ignition delay (ID) is one of the important parameters that make influenced on the combustion process inside the cylinder. This ignition delay affects not only the performances but also the noise and emissions of the engine. In this regards the experiments were conducted on single cylinder 4–stroke compression ignition research diesel engine, power 3.50 kW at constant speed 1500 rpm Kirloskar model TV1 with base fuel as diesel and hydrogen as secondary fuel with and without Di-tertiary-butyl-peroxide (DTBP). Experiments were conducted to measure the ignition delay of the dual fuel diesel (DFD) engine at different load conditions and substitution of diesel by hydrogen with or without DTBP and then it was compared with predicted ID given by Hardenberg-Hase equation and modified Hardenberg-Hase equation.The experimental values of ignition delay were compared with theoretical ignition delay which was predicted on the basis of Hardenberg-Hase equation by considering mean cylinder temperature, pressure, activation energy and cetane number and variations are found in between 6.60% and 21.22%. While, the Hardenberg-Hase equation was modified (by considering variation in activation energy) for DFD engine working on diesel as primary fuel and hydrogen as secondary fuel shows variations 1.20%–11.96%. Furthermore, with DTBP it gives variation up to 18.01%. It was found that ID decreases with increase in percentage of DTBP and hydrogen in air-fuel mixture. This might be due to the cetane improver nature of DTBP, pre-ignition reaction rate and energy release rate of hydrogen fuel. The polytropic index get increased by addition of (Di-tert butyl peroxide) DTBP. Similarly, 5% Di tertiary butyl peroxide reduces Ignition delay.

Kinetic analysis and reaction mechanism for anisole conversion over zirconia-supported molybdenum oxide

Gas-phase catalytic conversion of anisole and its reaction intermediates was studied over a 10 wt% MoO3/ZrO2 catalyst at temperatures between 553 and 633 K and H2 partial pressures (PH2) ≤ 1 bar. Benzene, phenol, cresol and methyl anisole were identified as the primary products from the hydrodeoxygenation (HDO), hydrogenolysis, intra- and intermolecular alkylation of anisole, respectively. The anisole to benzene conversion featured a first-order dependence with respect to PH2, while the conversion of phenol to benzene and m-cresol to toluene, showed PH2 and Poxygenate reaction orders of 1/2 and zero, respectively. A kinetic model showed that although the secondary pathway of phenol HDO to benzene has a rate constant ∼3 times higher than that for the HDO of anisole to benzene, the anisole HDO pathway is dominant at low anisole conversions. Apparent orders of ∼½ with Poxygenate for anisole hydrogenolysis and alkylation to form phenol, cresol, and methyl anisole implied the existence of different active sites than those responsible for HDO. Co-feed studies with H2O, pyridine, and di-tert butyl pyridine (DTBP) indicated that the active-sites responsible for HDO have a Lewis acid character that is associated with oxygen vacancies and that is distinct from the nature of sites responsible for hydrogenolysis and alkylation. Accordingly, co-feeding CH3OH resulted in increased phenol alkylation rates to form alkylated cresols along with inhibition of phenol to benzene HDO rates. A three-site model was proposed to unify the HDO, hydrogenolysis, and alkylation reactivity data obtained from the kinetic and co-feed studies.

Preparation and molecular structure of lanthanum–FcCOO−–DTBbpy complexes

Two new lanthanum complexes, [La2(μ2-OOCFc)4(DTBbpy)2(NO3)2] (1·2CH3CN) and [La2(μ2-OOCFc)4(μ-HOOCFc)2(DTBbpy)2(HOCH3)2](ClO4)2 (2·2CH3OH); (Fc = ferrocene and DTBbpy = 4, 4′-di-tert butyl bipyridyl) were prepared and characterized by single crystal X-ray diffraction. The reaction of sodium ferrocene carboxylate (FcCOONa) with La(NO3)·6H2O (1:1) in methanol at 80 °C followed by the addition of 4, 4′-di-tert-butyl bipyridyl (DTBbpy) resulted in the formation of (1). The use of La(ClO4)3·6H2O as a precursor under identical synthetic condition yielded (2).In 1 and 2, the La atoms are bridged by four FcCOO- ligands forming the [La2(μ2-OOCFc)4] core (La…La = 4.0357(4) Å in 1 and 4.3789(3) Å in 2). The coordination number of the La atoms is 9 for 1 and 8 for 2.

Energy Landscapes in Photochemical Dissociation of Small Peroxides.

Organic peroxides are known to have important roles in many chemical and biochemical processes such as intermediates in the oxidation of various hydrocarbons, as initiators of free-radical polymerization and cross-linking agents, etc. Consequently, the study of the organic peroxides and their radicals are of fundamental interest and importance. Although several reaction pathways after dissociation of organic peroxides have been successfully identified using time-resolved optical absorption spectroscopy, interpretation of the data can be complicated due to spectral overlap of parent molecules, intermediates, and products. Therefore, a reliable theoretical framework is necessary in case of complex or less studied systems. In this study, we investigated the plausible thermal dissociation pathways of diethyl peroxide, ditert butyl peroxide, and dicumyl peroxide by density functional theory with M06-2X hybrid functional and compared its results to coupled cluster single double and perturbative triple, CCSD(T), level energies. Our results indicate that methyl radical elimination is the main dissociation mechanism for all of the studied peroxides after O-O bond cleavage which has been also observed in experiments. The resulting relative energies of the M06-2X functional were found to have reasonable accuracy in comparison with the CCSD(T) method. We also show that time-dependent density functional theory (TD-DFT) with the M06-2X functional provides a suitable guide for interpretation of time-resolved optical absorption spectra of peroxides. The experimental transient absorption spectra of dicumyl peroxide are interpreted using the theoretically predicted pathways and transient radical species. Both results agree within experimental resolution and accuracy. We propose that the traditionally assigned visible absorption is not due to the cumuloxyl radical and the photodissociation of dicumyl peroxide involves other pathways with extremely short-lived radicals.

Toward Morphological Stabilization in Polymer Bulk Heterojunction Solar Cells by Crosslinking Using an Additive

A new approach to enhance performance and to stabilize active layer morphology by introducing a reacting processing additive, i.e., ditert butyl peroxide (DTBP), to the donor (P3HT) and acceptor (PCBM) solution with minimal disturbance in the packing of conjugated polymer is presented. Effects of DTBP contents and thermal annealing time on the performance of photovoltaic cells are investigated. Compared with the control device, the optimized device with 0.5 wt% DTBP exhibits enhanced performance with a J sc of (10.44 ± 0.13) mA/cm2, a fill factor of (57.61 ± 1.56)%, and a power conversion efficiency of (3.82 ± 0.11)%, which increases by 10%, 26%, and 33%, respectively. The enhanced mobility of carriers is attributed to the DTBP additive-induced decomposition, which leads to the rough morphology of the active layer, and to the more effective interfacial area formed between the P3HT and PCBM regions. We envisage the direct crosslinking of the alkyl chain of P3HT results in the formation of 3-D polymeric networks, which limits the conformational dynamics of P3HT and indirectly hinders the diffusion of PCBM, thus enabling efficient and more stable photovoltaic devices. Therefore, the large-scale phase separation between P3HT and PCBM in the active layer can be effectively suppressed.

Isobutanol as Both Low Reactivity and High Reactivity Fuels with Addition of Di-Tert Butyl Peroxide (DTBP) in RCCI Combustion

Isobutanol as Both Low Reactivity and High Reactivity Fuels with Addition of Di-Tert Butyl Peroxide (DTBP) in RCCI Combustion

Direct Chemical Vapor Deposition Synthesis of Phase-Pure Iron Pyrite (FeS2) Thin Films

Resurgent interest in iron pyrite (FeS2) as an earth-abundant, nontoxic semiconductor for solar applications has resulted in many attempts to grow phase-pure thin films via chemical vapor deposition (CVD). However, all thin films grown via CVD or sulfidation to date have contained marcasite phase or other iron sulfide impurities. Here, we report the use of metallic cobalt pyrite (cattierite, CoS2) thin films as an ideal substrate leading to the first direct growth of phase-pure iron pyrite thin films via atmospheric pressure CVD. This synthesis was achieved by reacting FeCl3 and ditert butyl disulfide (TBDS) at 400–450 °C. The products were confirmed as phase-pure iron pyrite using X-ray diffraction (XRD), Raman spectroscopy, and energy dispersive X-ray spectroscopy (EDS). In addition to phase-purity, the synthesis produced crystal domains >1 μm and a conformal coating 3–5 μm thick, which are attributed to the <2% lattice mismatch of the isostructural cattierite substrate. The surface was characterized by...

ChemInform Abstract: Di‐tert‐Butyl Peroxide‐Promoted α‐Alkylation of α‐Amino Carbonyl Compounds by Simple Alkanes.

A di-tert butyl peroxide (DTBP)-promoted α-alkylation of α-amino carbonyl compounds by simple alkanes is developed, proceeding through dual sp3 C–H bonds cleavage. The reaction was applicable for α-amino ketones and α-amino esters, providing a facile pathway for the α-functionalization of these substrates. The radical pathway is involved in this transformation.