Classes Of Hydrocarbons Research Articles

A theorized new class of polyhedral hydrocarbons of molecular formula CnHn and their bottom-up scaffold expansions into hyperstructures

We address the use of Euler's theorem and topological algorithms to design 18 polyhedral hydrocarbons of general formula CnHn that exist up to 28 vertexes containing four- and six-membered rings only; compounds we call “nuggets”. Subsequently, we evaluated their energies to verify the likelihood of their chemical existence. Among these compounds, 13 are novel systems, of which 3 exhibit chirality. Further, the ability of all nuggets to perform fusion reactions either through their square faces, or through their hexagonal faces was evaluated. Indeed, they are potentially able to form bottom-up derived molecular hyperstructures with great potential for several applications. By considering these fusion abilities, the growth of the nuggets into 1D, 2D, and 3D-scaffolds was studied. The results indicate that nugget24a (C24H24) is predicted to be capable of carrying out fusion reactions. From nugget24a, we then designed 1D, 2D, and 3D-scaffolds that are predicted to be formed by favorable fusion reactions. Finally, a 3D-scaffold generated from nugget24a exhibited potential to be employed as a voxel with a chemical structure remarkably similar to that of MOF ZIF-8. And, such a voxel, could in principle be employed to generate any 3D sculpture with nugget24a as its level of finest granularity.

Autoignition study of iso-cetane/tetralin blends at low temperature

iso-Cetane and tetralin are the two fuel components commonly considered in literature diesel surrogates, and are hydrocarbon classes representative of iso-alkanes and naphthoaromatics, respectively. Since both surrogate components are involved in the key reactions controlling the autoignition reactivity of diesel surrogates, autoignition studies of iso-cetane, tetralin, and their blending behavior at low temperatures can be helpful in developing/refining chemical kinetic models of diesel surrogates, in order to better predict diesel ignition response under low temperature combustion conditions. In this investigation, autoignition experiments of iso-cetane, tetralin, and their binary mixtures at varying blending ratios have been conducted in a rapid compression machine (RCM) in the temperature/pressure range of 630–930 K and 10–20 bar. For the neat fuel components, the newly-acquired RCM data have been compared with the literature experimental results at some overlapping conditions. In addition, a chemical kinetic model describing the oxidation of iso-cetane and tetralin compiled/updated from the diesel surrogate model developed by Lawrence Livermore National Laboratory is used to simulate the experimental datasets. It is shown that this model exhibits good agreement with the experimental results of tetralin and also predicts the total ignition delay times of iso-cetane at lower temperatures reasonably well. However, the current model fails to fully capture the increase of total ignition delay time with increasing amount of tetralin in the binary blends observed in the present RCM experiments. Therefore, chemical kinetic analyses of the current model are conducted to help identify possible reasons leading to the discrepancies between simulations and experiments. Furthermore, the chemical kinetic interactions between iso-cetane and tetralin are explored by including additional cross-reactions among iso-cetane, tetralin, and their fuel fragments in the current model to assess their effects on model predictions. Based on the chemical kinetic analysis results, future direction for model refinements is discussed.

Surrogate models of thermally cracked hydrocarbon fuels at typical pyrolysis temperatures

Construction of surrogate fuel model for thermally cracked fuel holds fundamental importance to its combustion characteristics. In the present study, series of thermal cracking experiments of hydrocarbon fuel were carried out at supercritical pressure. Thermally cracked fuels at three typical pyrolysis temperatures, which covered the low, middle, and high levels of thermal cracking, were selected and analyzed. A formulation method to construct surrogate models for thermally cracked fuels was developed, in which the pyrolysis gas and liquid were considered separately, and then combined by a key parameter of gas-production rate. Laminar burning velocities of the target fuels and their corresponding surrogate models were measured using a constant-volume bomb, and then compared to validate the fidelity of surrogate models. Results show that the pyrolysis gas can be well substituted by a mixture of hydrogen, methane, ethylene, ethane, and propylene. Surrogate models of pyrolysis liquids contain eight large hydrocarbons, taking into account the variations of hydrocarbon classes and carbon number distribution. By changing mole fractions of candidate species, the proposed surrogate models of pyrolysis liquids reasonably match all target properties, including the averaged molecular weight (MW), hydrogen-to-carbon ratio (H/C), lower heating value (LHV), derived cetane number (DCN) and density. Surrogate models of thermally cracked fuels combine those of both pyrolysis gases and liquids, and can accurately predict the laminar burning velocities. With thirteen candidate components and the formulating strategy, the current method is capable of constructing a surrogate model for thermally cracked fuel with a fuel-conversion rate up to 73%.

The influence of acute water stresses on the biochemical composition of bell pepper (Capsicum annuum L.) berries.

Crops are exposed to recurrent and acute drought stress episodes during their vegetative and reproductive cycles, and these episodes are increasingly frequent due to ongoing climate change. Sweet pepper (Capsicum annuum), alias bell pepper, is one of the most widely cultivated vegetables and is grown in open fields worldwide. Here we assessed the effect of acute water stress, applied to a breeding line of sweet pepper at three stages of plant development: five true-leaves (Stage 1), production of the third flower (Stage 2) and setting of the first fruit (Stage 3), on the production and biochemical composition of its ripe fruits. The water stress at Stages 1 and 2 induced a delay in fruit ripening, while at Stage 3 caused a drop in production. The biochemical composition of ripe fruits was assessed by quantifying their content in vitamin C, sugars, organic acids, flavonoids as well as 190 volatile organic compounds, mainly belonging to the chemical classes of hydrocarbons, alcohols, ketones, esters, terpenes, aldehydes and ethers. Our results highlight that, at different stages of plant development, acute water stresses modulate differently the accumulation of bioactive compounds in fruits, which play a key role in setting the redox-status and osmotic adjustment of the plant. This was also the case for volatile compounds since, within each chemical class, different compounds varied their content in ripe fruits. On the whole, our results demonstrate that water stresses potentially affect the organoleptic and sensory qualities of bell pepper fruits depending on when they occur. © 2021 Society of Chemical Industry.

Molecular Structural Descriptors of Donut Benzenoid Systems

Circumcised donut benzenoid systems are a class of polycyclic aromatic hydrocarbons (PAHs) derived from planar benzenoid networks by strategically eliminating a few hexagons. The study of donut benzenoid systems has been gaining ground because of their neoteric and fascinating characteristics like superaromaticity, ascribed to their unique structure. The distinct nature and properties of donut benzenoids open the door for applications in several industries such as biotechnology, electronics, pharmaceuticals and so on. The investigation of the properties of circumcised donut benzenoids and their relationship to the underlying molecular structures using graph-theoretical techniques is advantageous in the design and synthesis of new donut benzenoid compounds. Studies on topological indices have conclusively proved that they have a strong correlation to various properties of chemical compounds. They also provide a mathematical representation of the molecular structure for QSPR/QSAR techniques. In this paper, the degree-based molecular structural descriptors are calculated for two circumcised donut benzenoid structures using M-polynomial and edge partition techniques, effectively doubling the number of known topological indices for these structures. Also, the numerical values of these indices are computed and compared pictorially.

Correlating the strength of reducing agent adsorption with Ag/Al2O3 catalyst performances in selective catalytic reduction (SCR) of NOx

NMR relaxation has been used to characterise the strength of surface interaction of reducing agent species in Ag/Al2O3 catalysts used for the selective catalytic reduction (SCR) of NOx. Several classes of compounds, including aliphatic and aromatic hydrocarbons, as well as alcohols, were investigated. The results show that the strength of interaction of the reducing agent with the catalyst surface, characterised by the NMR relaxation time ratio T1/T2, plays an important role in determining the catalyst performances, with reducing agents able to compete with water for adsorption over the surface giving better catalytic activities. In particular, a clear trend was observed when comparing the T1/T2 ratio of different reducing agents with the initial activity of the catalyst, in particular with the activation temperature, with species such as alcohols, which showed a higher affinity with the catalyst, showing an easier initial activation. Whilst SCR is a complex reaction, whereby a series of phenomena are responsible for the overall catalytic activity, the strength of surface interaction of the reducing agent is a useful indicator for the initial catalytic activation in such processes.

Structural Analysis of Three Types of PAHs using Entropy Measures

Topological descriptors are non-empirical numerical quantities that describe molecular structures. These descriptors are fundamental to the QSAR/QSPR techniques that lay the groundwork for theoretical chemists to study and synthesize chemical structures. Entropic network measures are a class of topological descriptors with applications that range from quantitative characterization of a molecular structure to the study of certain chemical properties of molecular graphs. This paper focusses on computing analytical expressions of degree-based entropy measures for three prominent classes of polycyclic aromatic hydrocarbons with a coronene molecule at their center. The intriguing properties of these classes of compounds and their widespread availability warrant a study of their nature and properties from a structural standpoint. The numerical values of the entropy measures computed in this paper also provide an insight into the relationship between the entropy measures and the molecular structure.

Direct functionalization of quinoxalin-2(1H)-one with alkanes: C(sp2)-H/C(sp3)-H cross coupling in transition metal-free mode.

Considering the significance of pharmaceutically important heterocycles, efficient and highly versatile protocols for the functionalization of diverse heterocycles with easily accessible feedstock are crucial. Here, we have reported selective alkylation of quinoxalin-2(1H)-one with a broad class of hydrocarbons having different C(sp3)-H bonds with varying bond strengths using di-tert-butyl peroxide (DTBP) as an alkoxyl radical mediator for hydrogen atom transfer (HAT). This dehydrogenative coupling approach utilizes feedstock chemicals such as cycloalkanes, cyclic ethers and alkyl arenes as coupling partners. This protocol exhibits good functional group compatibility and selectivity regarding both heterocycles and unactivated alkanes. Moreover, this methodology allows functionalization of relatively strong C-H bonds of adamantane and exclusive selectivity towards 3° C(sp3)-H bonds is observed. We also illustrate the applicability of this C(sp2)-H/C(sp3)-H cross-coupling for practical access to bioactive pharmaceuticals.

Antiplasmodial Activity of The Low Molecular Weight Compounds from Streptomyces sp. GMR22

Low molecular weight (LMW) antiplasmodial compounds isolated from bacteria, particularly Streptomyces have not been widely reported. This study aimed to identify LMW compounds from Streptomyces sp. GMR22 as antiplasmodial. Isolation of the LMW compounds from the supernatant of fermentation culture using solvent of n-hexane:ethylacetate (EtOAc) (85:15v/v)and identified using gas chromatography-mass spectrometry (GC-MS). Antiplasmodial assay of n-hexane:EtOAc extract was carried out in vitro against P. falciparum (3D7). Parasitemia percentage obtained through microscopic observations and 50% inhibitory concentration (IC50) obtained through probit analysis. The antiplasmodial confirmation test was done by flow cytometry using SYBR Green I for Plasmodium DNA and anti-human CD235a for erythrocytes. The LMW compounds were investigated using SwissADME for drug-likeness. n-Hexane:EtOAc extract contained 21 LMW compounds from alcohol, hydrocarbon, ester, aromatic/diester, diester, fatty acid, and triester classes, which possessed moderate antiplasmodial activity with an IC50 value of 38.61 ± 19.06 µg/mL. Confirmation by flow cytometry analysis showed that the extract at 50 µg/mL exhibited antiplasmodial activity based on a decreased Plasmodium DNA intensity as compared to the control group. The result of drug-likeness screening obtained that 3 LMW compounds were drug-likeness, namely phenylethyl alcohol, ethyl citrate, and di-n-butyl phthalate. Streptomyces sp. GMR22 produced LMW compounds as antiplasmodial, and further study was needed for identification of antiplasmodial active compounds.

Assessing toxicity of hydrophobic aliphatic and monoaromatic hydrocarbons at the solubility limit using novel dosing methods

Reliable delineation of aquatic toxicity cut-offs for poorly soluble hydrocarbons is lacking. In this study, vapor and passive dosing methods were applied in limit tests with algae and daphnids to evaluate the presence or absence of chronic effects at exposures corresponding to the water solubility for representative hydrocarbons from five structural classes: branched alkanes, mono, di, and polynaphthenic (cyclic) alkanes and monoaromatic naphthenic hydrocarbons (MANHs). Algal growth rate and daphnid immobilization, growth and reproduction served as the chronic endpoints investigated. Results indicated that the dosing methods applied were effective for maintaining mean measured exposure concentrations within a factor of two or higher of the measured water solubility of the substances investigated. Chronic effects were not observed for hydrocarbons with an aqueous solubility below approximately 5 μg/L. This solubility cut-off corresponds to structures consisting of 13–14 carbons for branched and cyclic alkanes and 16–18 carbons for MANHs. These data support reliable hazard and risk evaluation of hydrocarbon classes that comprise petroleum substances and the methods described have broad applicability for establishing empirical solubility cut-offs for other classes of hydrophobic substances. Future work is needed to understand the role of biotransformation on the observed presence or absence of toxicity in chronic tests.

Structural Ceramics Modified by Water Treatment Plant Sludge.

Water treatment plant (WTP) sludge is actively used in building materials production. The object of this research was modifying additives for ceramic bricks from WTP aluminium-containing sludge. The research aim of this study was to determine the suitability of a million-plus population city’s WTP sludge as a burning-out additive in the production of structural ceramics and to establish the optimal conditions for obtaining products with the best characteristics. The raw water belongs to water belongs to the hydrocarbonate class, the calcium group, and it is of low turbidity (1.5–40 mg/L kaolin). Sludge, sourced from WTP sedimentation tanks, was dewatered by adding lime or by using the freezing-thawing method. The spray-dried WTP sludge is introduced into the clay in amounts of 5% to 20% by weight. The addition of 20% reduces the sensitivity of the clay to drying, reduces the density of ceramic by 20% and simultaneously increases its compressive strength from 7.0 to 10.2 MPa. The use of WTP sludge as a modifying additive, pretreated by the freezing-thawing method, makes it possible to obtain ceramic bricks with improved properties. The results can be used for WTP sludge containing aluminium obtained by treating water of medium turbidity and medium colour.

Ultrafast dynamics of correlation bands following XUV molecular photoionization

Modern ultrashort X-ray/XUV (extreme ultraviolet) sources provide unique opportunities to investigate the primary reactions of matter upon energetic excitation. Understanding these processes in molecules on ultrafast timescales is required to improve bespoke high-energy radiation detectors, nanomedicine schemes or to study the molecular composition of interstellar media. However, current experiments struggle to provide a general framework because of the uniqueness and complexity of each system. Here we show the universal role of correlation bands—features created by electron correlation. This is done by studying ultrafast energy relaxation of size-scalable two-dimensional molecules following ionization by an ultrashort XUV pulse. We observed long lifetimes that nonlinearly increase with the number of valence electrons. A general law based on solid-like electron–phonon scattering is proposed, which explains both our results and previously reported measurements. This offers new opportunities in attosecond science and high-energy photophysics. The size-dependent lifetimes observed in the ultrafast molecular relaxation dynamics of an entire class of polycyclic aromatic hydrocarbons can be explained by correlation bands and electron–phonon scattering, reminiscent of solid-state systems.

Cuticular wax composition of mature leaves of species and hybrids of the genus Prunus differing in resistance to clasterosporium disease

The interaction of a host plant with pathogen implies an extremely complex process involving the outer waxy layer of the cuticle, cutin, cell membrane, and intracellular structures. However, the initial contact between plants and pathogens takes place in cuticular waxes covering the surface of leaves, stems and fruits. Despite many findings on the role of plant epicuticular waxes, there is a gap in the understanding of the relationship between individual compounds and their functions. The pathogenic fungus Clasterosporium carpohilum (Lev.) Aderh. parasitizes the tissues of many stone fruit trees, damaging leaf and fruit surface. The aim of this work was to find out if the quantity and composition of leaf epicuticular wax could be responsible for the resistance to clasterosporium disease. The study of differences of plants in fungal resistance was carried out on species and hybrids of the genus Prunus from the collection of the Botanical Garden of Oles Honchar Dnipro National University (Dnipro city, Ukraine). The chloroform extracts of epicuticular waxes from the surface of mature leaves were analyzed by gas chromatography connected to mass-spectrometry. GC/MS assay was performed using Shimadzu GCMS-QP 2020 El equipped with capillary column (5% diphenyl/95% dimethyl polysiloxane), and helium as a carrier gas. Mass Spectrum Library 2014 for GSMS was used to identify the separated compounds of the wax extracts. The maximum total wax amount on the adaxial and abaxial leaf surface of hybrid 2 was twice the minimum wax accumulation for hybrid 4. Overall, 20 individual compounds belonging to six hydrocarbon classes were identified. Leaf epicuticular wax composition both in Prunus persica (L.) Batsch and P. dulcis (Mill.) D. A. Webb, and hybrids was dominated by long-chain n-alkanes with even carbon number (77.6–90.9% of total sum). The alkenes’ class was represented only by 17-pentatriacontene detected in the wax of both Prunus species. Octadecanaldehyde was found in epicuticular wax of P. dulcis while absent in wax of the more resistant species P. persica. Prime alcohols 1-tetradecanol and 1-hexacosanol were detected in leaf waxes of hybrid 4 and P. dulcis respectively. The ester class contained seven compounds found in leaf epicuticular waxes of both plant species and all hybrid forms. The identification of phthalic acid esters in leaf wax extracts was unexpected, and the phthalates’ origin is discussed. Strong positive correlation between leaf damage and tetrapentacontane content in epicuticular waxes could presumably be the result of infection-induced metabolism reprogramming in epidermal cells of infected leaves.

Molecular topological characterization of three classes of polycyclic aromatic hydrocarbons

The molecular descriptor is the conclusive outcome of a numerical strategy that changes compound data encoded inside an emblematic portrayal of a particle into a helpful number. The structure-based examinations uncovered that there was a strong relationship between topological structures and their physical practices, synthetic characteristics, and natural features. Such an auxiliary descriptor has been utilized successfully for a superior comprehension of sub-atomic structures. In this current examination, the atomic portrayal of three significant classes of polycyclic aromatic hydrocarbons such as hexa-peri-hexabenzocoronene, hexa-cata-hexabenzocoronene, and dodeca-benzo-circumcoronene are taken in a non-experimental graph-theoretic strategy which produces the numerical structural quantities of considered compounds.

A lumped kinetic model for high-temperature pyrolysis and combustion of 50 surrogate fuel components and their mixtures

Wide distillation fuels (WDF) and gasoline/diesel blends have been proposed as new fuel formulations for advanced combustion engines. Recent studies have shown that multi-component gasoline and diesel surrogate mixtures can accurately mimic the distillation curve, functional group or hydrocarbon class distribution, average molecular weight, and other combustion properties of real fuels. This work presents an updated decoupling methodology to construct a 50-component fuel model, which consists of a skeletal sub-mechanism for large hydrocarbon components present in gasoline, jet and diesel fuels, a reduced C5-Cn mechanism, and a detailed C0-C4 mechanism. The entire model contains 156 species and 1132 reactions. The chemical classes covered include n-alkanes, iso-alkanes, cyclo-alkanes and alkylbenzenes. Compared with the comprehensive detailed kinetic modeling approach, the present methodology largely reduces the model size due to the use of skeletal fuel mechanisms. Compared with the traditional decoupling methodology, our approach increases the model accuracy since it contains a detailed C0-C4 mechanism instead of a reduced C2-C3 mechanism. The present model was validated against experimental targets at high temperatures, including the pyrolysis and oxidation speciation data and global parameters such as ignition delay times and laminar flame speeds from 30 pure fuel components and 12 fuel mixtures. In general, the present model performs well against these experimental data, suggesting this methodology is a suitable approach for developing accurate kinetic models for multi-component fuels. Future work will extend the present framework to predict low-temperature combustion chemistry of multi-component fuels.

Combined Use of Diagnostic Fumarate Addition Metabolites and Genes Provides Evidence for Anaerobic Hydrocarbon Biodegradation in Contaminated Groundwater.

The widespread use of hydrocarbon-based fuels has led to the contamination of many natural environments due to accidental spills or leaks. While anaerobic microorganisms indigenous to many fuel-contaminated groundwater sites can play a role in site remediation (e.g., monitored natural attenuation, MNA) via hydrocarbon biodegradation, multiple lines of evidence in support of such bioremediation are required. In this study, we investigated two fuel-contaminated groundwater sites for their potential to be managed by MNA. Microbial community composition, biogeochemical indicators, fumarate addition metabolites, and genes diagnostic of both alkane and alkyl-monoaromatic hydrocarbon activation were assessed. Fumarate addition metabolites and catabolic genes were detected for both classes of hydrocarbon biodegradation at both sites, providing strong evidence for in situ anaerobic hydrocarbon biodegradation. However, relevant metabolites and genes did not consistently co-occur within all groundwater samples. Using newly designed mixtures of quantitative polymerase chain reaction (qPCR) primers to target diverse assA and bssA genes, we measured assA gene abundances ranging from 105–108 copies/L, and bssA gene abundances ranging from 105–1010 copies/L at the sites. Overall, this study demonstrates the value of investigating fuel-contaminated sites using both metabolites and genes diagnostic of anaerobic hydrocarbon biodegradation for different classes of hydrocarbons to help assess field sites for management by MNA.

Nucleophilic Diboration Strategy Targeting Diversified 1-Boraphenarene Architectures.

1-Boraphenalenes, a class of boron-doped polyaromatic hydrocarbons, were synthesized by nucleophilic diboration reaction of alkynes. Activation of diboron reagents with a highly basic sp2 -carbanion results in very fast successive C-B bond formations to construct the boracycle. This methodology is characterized by high chemoselectivity, affording a wide variety of 1-boraphenarenes with diverse polar substituents. The endocyclic boron can be arylated conveniently in one pot, and the peripheral boron is available for various chemical transformations. Highly diastereoselective diboration gives pseudo-enantio-enriched boraphenarene, which emits circularly polarized fluorescence (CPL).

Quantification of Seven Terpenes in Human Serum by Headspace Solid-Phase Microextraction-Gas Chromatography-Tandem Mass Spectrometry.

Terpenes are a class of volatile organic hydrocarbons commonly produced by vegetation and released into the atmosphere. These compounds are responsible for the scents of pine forests, citrus fruits, and some flowers. Human terpene exposure can come from inhalation, diet, smoking, and more recently, using e-cigarettes. Terpenes are present in tobacco smoke and are used as flavor chemicals in e-liquids. The health effects of terpenes are not widely known, though several studies have suggested that they may prove useful in future medical applications. We have developed a novel, high-throughput method of quantifying seven terpenes (α-pinene, β-pinene, β-myrcene, 3-carene, limonene, β-caryophyllene, and α-humulene) in human serum to aid human-exposure investigations. This method employs headspace sampling using solid-phase microextraction (SPME) coupled to gas chromatography-tandem mass spectrometry to detect and quantify five monoterpenes and two sesquiterpenes in the low parts-per-trillion to low parts-per-billion range. The intraday and interday variability (percent error) of the method are ≤2 and ≤11%, respectively. In addition, this method showed excellent recovery in human serum (between 80 and 120% for all analytes). The assay precision ranges between 4.0 and 11%. Limits of detection ranged between 0.032 and 0.162 μg/L. Using serum cotinine values to classify tobacco use showed that smokers have higher serum concentrations of six terpenes compared to nonusers. Terpene concentrations were 14-78% higher in smokers than nonusers. Our method can provide essential biomonitoring data to establish baseline exposure levels for terpenes in humans.

Volatilomic Analyses of Tuscan Juniperus oxycedrus L. and in vitro Cytotoxic Effect of Its Essential Oils on Human Cell Lines

Chemical composition of different organs and cytotoxic potential of essential oils (EO) of Tuscan Juniperus oxycedrus, was studied in human breast adenocarcinoma (MCF7), human chronic myeloge- nous erythroleukemia (K562) and a human neuroblastoma cell line derived from a highly malignant tumor (SH- SY5Y) cells. GC-MS analyses confirmed the prevalence of monoterpene hydrocarbons (MHs) class in all studied organs with α-pinene as the main compound. The relative abundance of this constituent ranged from 35.3 % in seed EO to exceed 50 % in the mixture (1:1) of leaf and fruit EO. Other MH compounds present in high amounts were myrcene (25.7 % and 10.9 % in seeds and fruits EOs, respectively) and limonene (11.9 % and 7.4 % in leaf and mixture EOs, respectively). Germacrene D, a sesquiterpene hydrocarbon, was the most abundant constituent of fruit EO (30.8 %). Leaf EO showed to be very active on MCF7 (IC50, 19.1 ppm) and K562 (IC50, 35.1ppm) un- derlining the time- and dose-depend way of action. The human neuroblastoma cell line (SH-SY5Y) were almost exclusively sensitive to the fruit EO (IC50, 30.8 ppm).

Performance of Naphtha in Compression Ignition Modes Using Multicomponent Surrogate Fuel Model

Gasoline compression ignition (GCI) engines have been considered a promising technology for achieving diesel-like efficiency with less NOx and soot emissions than diesel engines. In recent research, naphtha has emerged as a suitable fuel for GCI owing to its octane number and its potential to reduce CO2 and production costs. The present work develops a multicomponent surrogate fuel model for heavy and light naphtha fuels by matching their distillation profiles and covering the measured concentrations of the various hydrocarbon classes and properties. The developed naphtha multicomponent surrogate model shows better prediction results than the primary reference fuel (PRF) surrogate model and exhibits good agreement with the measured data. The performance of naphtha in compression ignition (CI) combustion modes is investigated using the surrogate model and engine experiments. Naphtha fuels under CI combustion modes show better soot, HC, and CO emissions than diesel owing to the longer ignition delay and higher burned gas temperature. Moreover, as naphtha fuels are less affected by the injection pressure, naphtha CI engines appear to operate at a lower injection pressure than diesel engines.