Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Blending”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Photo-Induced Charge Transfer of Fullerene and Non-Fullerene Conjugated Polymer Blends via Ab Initio Excited-State Dynamics

Organic conjugated polymers (CPs) are promising candidates for organic photovoltaic (OPV) devices due to their unique tunable mechanical and optoelectronic performance. Over the last decade, optoelectronic properties of narrow band gap CPs as a blend with acceptor units are largely optimized, which leads to noticeable progress in OPV technology. However, their power conversion efficiency is still lower than their organic counterparts (i.e., silicon), limiting their practical usage. In this study, we employ ab initio molecular dynamics to explore photo-induced charge transfer (CT) of the diketopyrrolopyrrole-based polymer as a blend with non-fullerene (i.e., ITIC) and fullerene (i.e., PCBM) acceptor units. The results of charge carrier dynamics induced by selected photoexcitation show that hole density redistribution in space is much faster than electron relaxation. We track the relaxation rates of charge carriers over time, where the derivative of the difference between the rate of electron and hole implies the current density at zero voltage. Furthermore, this can be utilized to characterize the CT performance of CPs blended with different acceptor units. Relaxation rate results indicate that CP blend with ITIC promises a better PV performance, illustrating that the current computational approach opens the door to determine bulk heterojunctions’ electronic performance for OPV devices and narrowing down the list of potential donor–acceptor candidates.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Combustion of petroleum-based transportation fuels and their blends with biofuels: a new approach for developing surrogates and understanding the effects of blending

Accurate and versatile reaction mechanisms are necessary to simulate combustion of transportation fuels blended with biofuels for improving fuel efficiency, reducing fuel consumption and mitigating the formation and emissions of combustion products harmful to the atmosphere. This project involved a combined effort of simulation and experimentation of liquid fuel burning using a combustion configuration amenable to numerical modeling with a level of detail not previously achieved for blends of biofuels with gasoline certification and surrogate fuels. The configuration of an isolated droplet burning under conditions where gas transport arises solely from fuel evaporation was selected as the platform for experiments and numerical modeling. The spherical symmetry and one-dimensional gas transport that results enabled simulating the droplet burning process with an precedented level of detail. Processes associated with unsteady gas and liquid transport, formation of particulate and gaseous products, radiation, multicomponent phase equilibrium at the droplet surface and moving boundary effects from droplet evaporation, were incorporated in a single numerical framework. The numerical model was based on the open source code OPENSmoke++ (OS) adapted to incorporate the effects noted above. In addition to simulation, an experimental design was developed for the isolated droplet configuration to acquire the data needed for validating the numerical model. Several broad accomplishments of the project were the following: demonstrating generally excellent agreement between measured and simulated combustion parameters for the fuel blends examined that included mixtures of heptane and isobutanol as a model system, and surrogates comprised of up to seven miscible components mixed with ethanol or isobutanol as representative biofuel additives; using a new approach to validate reaction mechanisms of biofuel blends which incorporated fuel evaporation into the process along with developing an experimental design for acquiring data to compare with simulations; and showing that a wealth of information could be obtained on the combustion physics of biofuels from experiments requiring volumes on the order of only nanoliters at a time thus opening the way to evaluating biofuels synthesized by new processes early in development.

02 PETROLEUM↗
DOE OSTI2022

Phase Behavior and Ionic Conductivity of Blended, Ion-Condensed Electrolytes with Ordered Morphologies

In this study, the amphiphilic salt lithium trifluoromethanesulfonylimide octadecane (C18LiTFSI) was used as a basis to investigate the effects of anion density and cation coordination sites within blended electrolytes with strong ionic aggregation. C18LiTFSI was previously reported as a single-component, ion-condensed electrolyte with a wide layered liquid crystalline phase regime. Three additive molecules with varyingly sized polar sulfonyl groups attached to an octodecane-tail were synthesized and mixed with C18LiTFSI. The thermal properties, morphology, and ionic conductivity of the blended electrolytes were characterized. It was found that the blended electrolytes exhibited layered liquid crystalline morphology over a narrower temperature range than the pure salt, and the ionic conductivity of the blended liquid crystalline electrolytes were generally lower than that of the pure salt. Surprising, the additives were found to have the greatest effect on the bulk ionic conductivity of the semicrystalline phase of the electrolytes. Addition of minor fractions of methylsulfonyloctadecane to C18LiTFSI resulted in increases in conductivity of over two orders of magnitude at room temperature, while addition of ethylsulfonyloctadecane or isopropylsulfonyloctadecane with the larger head group resulted in decreased ionic conductivity over the entire composition space and temperature range investigated.

Collins, Hannah (ORCID:0000000338858136)↗
DOE OSTI2023

Study of Different Formulations for the Multiperiod Blending Problem Applied to Lithium Recovery from Produced Water

We present several formulations to solve the MPBP for the recovery of REE/CMs from produced water and propose a decomposition approach thatleverages strategies in general disjunctive programming to enhance its performance. We compare these proposed formulations/strategies via two illustrative case studies on recovering lithium from a network of produced water sources.

Ovalle, Daniel↗
DOE OSTI2023

Vapor and Liquid ( p –ρ– T–x ) Measurements of Binary Refrigerant Blends Containing R-32, R-152a, R-227ea, R-1234yf, and R-1234ze(E)

In this article, The pressure–density–temperature–composition (p–ρ–T–x) data of binary refrigerant mixtures containing R-32 (difluoromethane), R-152a (1,1,-difluoroethane), R-227ea (1,1,1,2,3,3,3-heptafluoropropane), R-1234yf (2,3,3,3-tetrafluoropropene), and R-1234ze(E) (trans-1,3,3,3-tetrafluoropropene) were measured in both the vapor and liquid phases using a two-sinker, magnetic suspension densimeter. The specific samples in this study comprised two compositions of approximately (0.3/0.7) and (0.7/0.3) mole fraction for each of the following four binary refrigerant blends: R-32 + R-1234yf, R-32 + R-1234ze(E), R-1234yf + R-152a, and R-1234ze(E) + R-227ea. Single-phase vapor densities were measured over a temperature range of approximately 253 to 293 K and pressures from 0.05 to 0.98 MPa. Single-phase liquid and supercritical densities were measured over a temperature range of approximately 230 to 400 K and pressures up to 22 MPa; for refrigerant blends containing R-1234yf, the maximum pressure was limited to 14 MPa. Overall relative combined, expanded (k = 2) uncertainties in density ranged from 0.025 to 0.191%, with an average uncertainty of approximately 0.05%. Here, we present measurement results, along with comparisons to available literature data and to default equations of state and mixture models included in REFPROP.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

A strong blend in the morning: studying the circumgalactic medium before cosmic noon with strong, blended Ly α forest systems

ABSTRACT We study of the properties of a new class of circumgalactic medium absorbers identified in the Ly α forest: ‘Strong, Blended Lyman-α’ (or SBLA) absorption systems. We study SBLAs at 2.4 < z < 3.1 in SDSS-IV/eBOSS spectra by their strong extended Ly α absorption complexes covering 138 $\, \, {\rm km}\, {\rm s}^{-1}$ with an integrated $\log (N_{\rm H\, {\small I}}/\mathrm{cm}^{-2}) =16.04$$\substack{+0.05 \\ -0.06}$ and Doppler parameter b = 18.1$\substack{+0.7 \\ -0.4}$$\, \, {\rm km}\, {\rm s}^{-1}$. Clustering with the Ly α forest provides a large-scale structure bias of b = 2.34 ± 0.06 and halo mass estimate of $M_h \approx 10^{12}\, h^{-1}\, {\rm M_{\odot }}$ for our SBLA sample. We measure the ensemble mean column densities of 22 metal features in the SBLA composite spectrum and find that no single-population multiphase model for them is viable. We therefore explore the underlying SBLA population by forward modelling the SBLA absorption distribution. Based on covariance measurements and favoured populations we find that ≈25 per cent of our SBLAs have stronger metals. Using silicon only we find that our strong metal SBLAs trace gas with a log (nH/cm−3) > −2.40 for T = 103.5 K and show gas clumping on <210 parsec scales. We fit multiphase models to this strong subpopulation and find a low ionization phase with nH = 1 cm−3, T = 103.5 K, and [X/H] = 0.8, an intermediate ionization phase with log (nH/cm−3) = −3.05, T = 103.5 K and [X/H] = −0.8, and a poorly constrained higher ionization phase. We find that the low ionization phase favours cold, dense super-solar metallicity gas with a clumping scale of just 0.009 parsecs.

Morrison, Sean (ORCID:0000000267702627)↗
DOE OSTI2023

Knock-limited combustion of ethanol-, isobutanol-, and 2-methyl-3-buten-2-ol-gasoline blends in a direct-injected spark-ignition engine

Knock-limited combustion of alcohol-gasoline fuel blends was studied in a direct-injection spark-ignition engine. Ethanol, isobutanol (2-methyl-1-propanol), and methylbutenol (2-methyl-3-buten-2-ol) were splash-blended with a blendstock for oxygenate blending (BOB) gasoline. Ethanol was blended in fractions of 10%, 20%, and 30% by volume (E10, E20, and E30). Isobutanol and methylbutenol were blended to match the oxygen weight percentage of the ethanol blends, resulting in blends of 16%, 32%, and 49% (I16, I32, and I49) isobutanol by volume and 18%, 37%, and 56% (M18, M37, and M56) methylbutenol by volume. Neat BOB and gasoline primary reference fuels (PRF) with octane numbers (ON) of 87 (PRF87) and 100 (PRF100) were included for reference. The engine was operated at fixed speed, equivalence ratio, and injection timing while knock-limited spark advance was located across a range of intake pressures. Low-level alcohol blends E10 and M18 had similar knocking behavior and appeared to be slightly more knock-resistant than I16. For mid-level blends, E20 showed further improvement over I32 while M37 showed noticeably better knock resistance, able to match the knock-resistance of PRF100 for loads above 1000 kPa gross indicated mean effective pressure (GIMEP). For high-level blends, the difference between E30 and I49 was similar to their mid-level counterparts. However, M56 showed significant improvement over E30 and I49 throughout the entire range of loads tested. M56 exceeded the knock-resistance of PRF100 for loads above 700 kPa GIMEP. The improved knock-resistance combined with the increased volumetric energy density of methylbutenol resulted in improved fuel consumption and indicated efficiency. The overall results of this study indicate that the order of knock-resistance of these three alcohols, for direct-injection operation with injection during the intake stroke, is isobutanol < ethanol < methylbutenol when compared on an equal oxygen weight basis.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2026

Miscibility and Cocrystallization in Ethylene–Vinyl Alcohol Copolymer Blends

The compatibility among different ethylene−vinyl alcohol (EVOH) copolymer grades plays a crucial role in determining how easily they can be recycled when present together in a mixed waste stream. In this work, melt miscibility and cocrystallization in 50/50 wt/wt binary blends of EVOH copolymers with differing ethylene content were studied. Blends with up to a 21 mol % difference in composition were analyzed. Thin films of miscible blends appeared homogeneous in the melt as observed under an optical microscope, whereas AFM height images showed that immiscible blends underwent surface roughening due to phase separation. For copolymers with modest composition differences, the blend behaved as a single component, showing single, narrow melting and crystallization peaks in DSC thermograms, indicating cocrystallization at the level of crystal stems. Interestingly, even phase-separated blends demonstrated partial cocrystallization due to partial miscibility of the components in the molten phase-separated domains. The extent of cocrystallization is governed by the difference in freezing points of the components; rapid cooling increased cocrystallization in the blends. The maximum compositional difference allowed for miscibility is not constant but depends on the blend’s average comonomer content, in agreement with the “miscibility window” calculated from literature pressure−volume−temperature behavior for the individual EVOH copolymers and regular mixing theory. This study helps illuminate the effect of copolymer composition on miscibility, as well as cocrystallization behavior in blends of random copolymers with cocrystallizable units.

Cocrystallization↗
DOE OSTI2026

Tunable Nanoscale Structure via Divalent Ion Identity in Charged-Neutral Polymer Blends

Charged-neutral polymer blends, wherein an ioncontaining polymer is blended with a neutral polymer, are potential candidates for battery electrolytes due to their improved ion transport properties and electrochemical stability. Though electrostatic interactions in charged polymer blends can theoretically stabilize ordered nanostructures analogous to those observed in neutral block copolymers, direct experimental evidence remains limited. Here, we investigate the effects of divalent cation identity on the nanoscale morphology of charged-neutral polymer blends composed of poly(ethylene oxide) (PEO) and Mg 2+ or Ca 2+ ioncontaining polymers, poly[3-(methylacryloxy)propylsulfonyl-1-(trifluoromethanesulfonylimide)] (P(Mg(MTFSI) 2 ) or P(Ca- (MTFSI) 2 ). By tuning the size of the divalent counterion, we are able to precisely tune the ion solvation between the free cation and PEO, which acts as a solvent in this system. Differential scanning calorimetry (DSC) and small-angle X-ray scattering (SAXS) measurements reveal that Mg 2+ and Ca 2+ ions induce distinct structural behavior. In both systems, the blends become more miscible as the concentration of ion-containing polymer is increased indicated by increased suppression of PEO crystallinity. At the highest concentrations of P(Mg(MTFSI) 2 ), the blends undergo microphase separation and generate nanostructures with shortranged ordering. In contrast, calcium ions, which are more readily solvated by PEO, produce more homogeneous blends characterized by a single glass-transition temperature and featureless SAXS data. The results demonstrate the novel experimental confirmation that charged-neutral polymer blends can undergo microphase separation and show that counterion identity can be exploited as a design parameter to control nanoscale morphology.

Ions↗
DOE OSTI2022

Hydrogen Blending into Natural Gas Pipeline Infrastructure: Review of the State of Technology

Hydrogen is an energy carrier that could play an important role in reducing emissions associated with difficult-to-decarbonize sectors including peaking and load-following electricity and industrial heating. Blending hydrogen into the natural gas pipelines has been proposed as an approach for achieving near-term emissions reductions and early-market access for hydrogen technologies such as electrolyzers. Numerous challenges and uncertainties complicate this approach to natural gas decarbonization, however, and this review summarizes current research on the material, economic, and operational factors that must be considered for hydrogen blending. First, this review explores previous research regarding the effects of blending hydrogen on gas mixture fluid and thermodynamic properties, pipeline materials and equipment performance within transmission and distribution networks, and supporting facilities such as underground storage and end-use hydrogen separation. We also investigate and summarize studies that developed mathematical models of natural gas pipeline networks with hydrogen blending, and the operational and techno-economic findings of these network studies. Finally, we discuss notable hydrogen blending demonstrations and their key outcomes. Many blending demonstrations internationally have proven that low hydrogen percentage blending is feasible under very specific scenarios with limited end-usage applications on both high-pressure transmission lines and low-pressure distribution lines. This report summarizes findings from literature into key areas of consensus and disagreement. Research gaps and disagreements between the literature are highlighted to provide directions for future hydrogen blending research.

03 NATURAL GAS↗
DOE OSTI2026

Engineering Assembly Kinetics and Line Roughness in Solvent Vapor-Annealed Block Copolymer/Homopolymer Blends

Block copolymer (BCP) directed self-assembly (DSA) is a promising route to enhance lithography resolution by multiplying nanopattern density and reducing feature roughness. Eliminating kinetically trapped self-assembly defects requires fast self-assembly. However, acceleration strategies like solvent vapor annealing or homopolymer blending broaden domain interfaces, implying a trade-off in increased feature roughness. In this work, we experimentally investigate this apparent dilemma between self-assembly kinetics and line roughness for solvent vapor-annealed thin films of a lamellar poly(styrene-block-2-vinylpyridine) (PS-b-P2VP) BCP blended with PS and P2VP homopolymers. Binary blends with PS or P2VP homopolymers and ternary blends incorporating both in equal weight fractions were solvent vapor annealed using acetone, a near-neutral solvent for PS and P2VP, followed by P2VP-selective vapor-phase infiltration with alumina (AlOx) and polymer etching. Binary blends with P2VP exhibit a modest kinetic enhancement but also higher line-edge and -width roughness due to the increased frequency of P2VP protrusions and bridge defects in the alumina line patterns. In contrast, binary blends with PS self-assemble noticeably faster, while domain asymmetry from the added PS homopolymer reduces roughness by curbing the number of alumina protrusions and bridge defects. Ternary blends maintain DSA line patterns across a wider composition window and, at higher homopolymer loadings, reduce roughness at length scales near the lamellar period, consistent with a reduced impact of intradomain compositional fluctuations. These findings provide important insights for codesigning blend compositions and process flows to achieve high-resolution, defect free patterns with minimal roughness through BCP DSA.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

A Vitrimer Acts as a Compatibilizer for Polyethylene and Polypropylene Blends

Abstract Polymer compatibilization plays a critical role in achieving polymer blends with favorable mechanical properties and enabling efficient recycling of mixed plastic wastes. Nonetheless, traditional compatibilization methods often require tailored designs based on the specific chemical compositions of the blends. In this study, we propose a new approach for compatibilizing polymer blends using a dynamically crosslinked polymer network, known as vitrimers. By adding a relatively small amount (1–5 w/w%) of a vitrimer made of siloxane‐crosslinked high‐density polyethylene (HDPE), we successfully compatibilized unmodified HDPE and isotactic polypropylene (iPP). The vitrimer‐compatibilized blend exhibited enhanced elongation at break (120 %) and smaller iPP domain sizes (0.4 μm) compared to the control blend (22 % elongation at break, 0.9 μm iPP droplet size). Moreover, the vitrimer‐compatibilized blend showed significantly improved microphase stability during annealing at 180 °C. This straightforward method shows promise for applications across various polymer blend systems.

Yokoyama, Kosuke↗
DOE OSTI2024

A Vitrimer Acts as a Compatibilizer for Polyethylene and Polypropylene Blends

Polymer compatibilization plays a critical role in achieving polymer blends with favorable mechanical properties and enabling efficient recycling of mixed plastic wastes. Nonetheless, traditional compatibilization methods often require tailored designs based on the specific chemical compositions of the blends. In this study, we propose a new approach for compatibilizing polymer blends using a dynamically crosslinked polymer network, known as vitrimers. By adding a relatively small amount (1–5 w/w%) of a vitrimer made of siloxane‐crosslinked high‐density polyethylene (HDPE), we successfully compatibilized unmodified HDPE and isotactic polypropylene (iPP). The vitrimer‐compatibilized blend exhibited enhanced elongation at break (120 %) and smaller iPP domain sizes (0.4 μm) compared to the control blend (22 % elongation at break, 0.9 μm iPP droplet size). Moreover, the vitrimer‐compatibilized blend showed significantly improved microphase stability during annealing at 180 °C. This straightforward method shows promise for applications across various polymer blend systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Investigating In-Situ Fracture Behaviors of Polymer Pipeline Materials in Hydrogen and Hydrogen-Methane Blended Gas Environments

To reduce carbon emissions, the US natural gas infrastructure is seen as a primary solution for efficiently transporting hydrogen gas. Blending hydrogen gas with natural gas and transporting it across a national infrastructure could save significant infrastructure costs. To properly operate the infrastructure under the new gas system, it is critical to understand material compatibility with hydrogen under various conditions. The Blended Gas CRADA, a Hyblend project, is established to determine the material compatibility of existing natural gas pipes with hydrogen gas. In this study, we investigate the in-plane fracture behaviors of MDPEMarlex and HDPEGDB exposed to hydrogen and hydrogen-methane blended gas. Single-edge notch bending geometry is used. All tests are executed in-situ with the gas environment. The experimental results show a significant effect of the gas environment on HDPEGDB specimens, reducing 5% (H2) to 42% (Blended gas) of specific fracture energy compared to non-aged specimens. For the MDPEMarlex, the effects of the gas environment have increased the specific fracture energy by 10% (H2) to 15% (Blended gas). Fracture surfaces of the tested samples are observed using an electronic microscope. The in-plane fracture surface of HDPEGDB shows a pronounced dimple fracture pattern after exposure to hydrogen and blended gas. The expanded fracture pattern contributes to lower the specific fracture energy. These observations provide critical information for validating polymer pipeline materials when interact with hydrogen and hydrogen-blend gas.

Ko, Seunghyun↗
DOE OSTI2022

An experimental and modeling study on autoignition of 2-phenylethanol and its blends with n-heptane

2-Phenylethanol (2-PE) is an aromatic alcohol with high research octane number, high octane sensitivity, and a potential to be produced using biomass. Considering that 2-PE can be used as a fuel additive for boosting the anti-knocking quality of gasoline in spark-ignition engines and as the low reactivity fuel or fuel component in dual-fuel reactivity controlled compression ignition (RCCI) engines, it is of fundamental and practical interest to understand the autoignition chemistry of 2-PE, especially at low-to-intermediate temperatures (<1000 K). Based upon the experimental ignition delay time (IDT) results of neat 2-PE obtained from our previous rapid compression machine (RCM) investigation and the literature shock tube study, a detailed chemical kinetic model of 2-PE is developed herein, covering low-to-high temperature regimes. Besides, RCM experiments using binary fuel blends of 2-PE and n-heptane (nC7) are conducted in this work to investigate the nC7/2-PE blending effects, as they represent a dual-fuel system for RCCI operations. Furthermore, the newly developed 2-PE model is merged with a well-validated nC7 kinetic model to generate the current nC7/2-PE binary blend model. Overall, the consolidated model reasonably predicts the experimental IDT data of neat 2-PE and nC7/2-PE blends, as well as captures the experimental effects of pressure, equivalence ratio, and blending ratio on autoignition. Finally, model-based chemical kinetic analyses are carried out to understand and identify the controlling chemistry accounting for the observed blending effects in RCM experiments. In conclusion, the analyses reveal that nC7 enhances 2-PE autoignition via providing extra $\dot{O}$H radicals to the shared radical pool, while the diminished nC7 promoting effect on 2-PE autoignition with increasing temperature is due to the negative temperature coefficient characteristics of nC7.

2-phenlyethanol↗
DOE OSTI2022

Chain Redistribution Stabilizes Coexistence Phases in Block Copolymer Blends

The nanoscale morphologies of block copolymer (BCP) thin films are determined by chain architecture. Experimental studies of thin film blends of different BCP chain types have demonstrated that blending can stabilize new motifs, such as coexistence phases. Here, we deploy coarsegrained molecular dynamics (MD) simulations in order to better understand the self-assembly behavior of BCP blend thin films. Here, we consider blends of lamella- and cylinder-forming BCP chains, studying their morphological makeup, the chain distribution within the morphology, and the underlying polymer chain conformations. Our simulations show that there are local concentration deviations at the scale of the morphological objects that dictate the local structure, and that BCP chains redistribute within the morphology so as to stabilize the structure. Underlying these effects are measurable distortions in the BCP chain conformations. The conformational freedom afforded by BCP blending stabilizes defects and allows coexistence phases to appear, while also leading to kinetic trapping effects. These results highlight the power of blending in designing the morphology that forms.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Kinetic model-based group contribution method for derived cetane number prediction of oxygenated fuel components and blends

A four-step autoignition model was used to derive an expression for the ignition delay (ID) measured in ignition quality testers (IQT) with the derived cetane number (DCN) determined from this ID using the ASTM D6890 standard correlation. The model predicts DCN for individual compounds and blends as a function of each compound's global initiation and net chain branching rate constants. Expressions for these values were determined assuming they could be related to the functional groups present in each compound. Measurement data for 125 compounds and 94 binary and ternary blends (including oxygenates: alcohols, aldehydes, esters, ethers, and ketones), from literature and from measurements performed in our lab, were used to obtain the dependence of the measured ignition delay on each functional group. The new kinetic model-based group contribution method was able to predict the ignition delay of both pure compounds and blends, with an average DCN error of 4.4 (19%) and 2.8 (11%), respectively. Here, the blend model was also used to develop an ID mixing rule by incorporating existing IQT ignition delay data for each compound. Use of the mixing rule gave an average DCN error of 3.6 (16%) for blends. Both the blend model and mixing rule were found to be superior compared to standard linear by volume fraction or mole fraction mixing rules commonly used to estimate the DCN of mixtures.

42 ENGINEERING↗
DOE OSTI2023

The effect of chemical functional groups on the octane sensitivity of fuel blends for spark-ignited and multimode engines

We report the octane sensitivity of fuel blends containing blendstocks of diverse chemical functionalities blended in concentrations up to 20% by volume into BOBs (Blendstocks for Oxygenate Blending). This study focuses on the blendstocks containing functional groups which lack reliable octane number data. The effects on octane sensitivity of blends of cyclopropanes, alkyl carbonates, oxiranes, alcohols, ketones, esters, nitrogen-containing compounds, cyclic and olefinic hydrocarbons, multifunctional materials containing combinations of these functionalities, and the co-blends of the blendstocks with ethanol in a BOB have been evaluated. Octane sensitivity of the blends containing functional groups that haven’t been evaluated before are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗