Thermal-optical Analysis Research Articles

Quantifying the uncertainties in thermal–optical analysis of carbonaceous aircraft engine emissions: an interlaboratory study

Quantifying the uncertainties in thermal–optical analysis of carbonaceous aircraft engine emissions: an interlaboratory study

Effects of Wind Speed on Size-Dependent Morphology and Composition of Sea Spray Aerosols.

Variable wind speeds over the ocean can have a significant impact on the formation mechanism and physical-chemical properties of sea spray aerosols (SSA), which in turn influence their climate-relevant impacts. Herein, for the first time, we investigate the effects of wind speed on size-dependent morphology and composition of individual nascent SSA generated from wind-wave interactions of natural seawater within a wind-wave channel as a function of size and their particle-to-particle variability. Filter-based thermal optical analysis, atomic force microscopy (AFM), AFM infrared spectroscopy (AFM-IR), and scanning electron microscopy (SEM) were employed in this regard. This study focuses on SSA with sizes within 0.04-1.8 μm generated at two wind speeds: 10 m/s, representing a wind lull scenario over the ocean, and 19 m/s, indicative of the wind speeds encountered in stormy conditions. Filter-based measurements revealed a reduction of the organic mass fraction as the wind speed increases. AFM imaging at 20% relative humidity of individual SSA identified six main morphologies: prism-like, rounded, core-shell, rod, rod inclusion core-shell, and aggregates. At 10 m/s, most SSA were rounded, while at 19 m/s, core-shells became predominant. Based on AFM-IR, rounded SSA at both wind speeds had similar composition, mainly composed of aliphatic and oxygenated species, whereas the shells of core-shells displayed more oxygenated organics at 19 m/s and more aliphatic organics at 10 m/s. Collectively, our observations can be attributed to the disruption of the sea surface microlayer film structure at higher wind speeds. The findings reveal a significant impact of wind speed on morphology and composition of SSA, which should be accounted for accurate assessment of their climate effects.

Measured black carbon deposition over the central Himalayan glaciers: Concentrations in surface snow and impact on snow albedo reduction

Deposition of ambient black carbon (BC) aerosols over snow-covered areas reduces surface albedo and accelerates snowmelt. Based on in-situ atmospheric BC data and the WRF-Chem model, we estimated the dry and wet deposition of BC over the Yala glacier of the central Himalayan region in Nepal during 2016–2018. The maximum and minimum BC dry deposition was reported in pre- and post-monsoon respectively. Approximately 50% of annual dry deposition occurred in the pre-monsoon season (March to May) and 27% of the annual dry deposition occurred in April. The total dry BC deposition rate was estimated as ∼4.6 μg m−2 day−1 providing a total deposition of 531 μg m−2 during the pre-monsoon season. The contribution of biomass burning and fossil fuel sources to BC deposition on an annual basis was 28% and 72% respectively. The annual accumulated wet deposition of BC was 196 times higher than the annual dry deposition. The ten months of observed dry deposition of BC (October 1, 2016 to August 31, 2017 – except December 2016) was ∼39% lower than that of WRF-Chem's estimated annual dry deposition from September 1, 2016 to August 31, 2017 partially due to model bias. The deposited content of BC over the snow surface has an important role in albedo reduction, therefore snow samples were collected from the surface of the Yala Glacier and the surrounding region in April 2016, 2017, and 2018. Samples were analyzed for BC mass concentration through the thermal optical analysis and single particle soot photometer method. The BC calculated via the thermal optical method was in the range of 352–854 ng g−1, higher than the BC calculated through the particle soot photometer method and estimated BC in 2 cm surface snow (imperial equation). The maximum surface snow albedo reduction due to BC was 8.8%, estimated by a widely used snow radiative transfer model and a linear regression equation.

Elemental carbon - An efficient method to measure occupational exposure from materials in the graphene family

Graphene is a 2D-material with many useful properties such as flexibility, elasticity, and conductivity among others. Graphene could therefore become a material used in many occupational fields in the future, which can give rise to occupational exposure. Today, exposure is unknown, due to the lack of efficient measuring techniques for occupational exposure to graphene. Readily available screening techniques for air sampling and -analysis are either nonspecific or nonquantitative. Quantifying materials from the broad graphene family by an easy-to-use method is important for the large-scale industrial application of graphene, especially when for the safety of working environment. Graphene consists primarily of elemental carbon, and the present study evaluates the organic carbon/elemental carbon (OC/EC)-technique for exposure assessment. The purpose of this work is to evaluate the OC/EC analysis technique as an efficient and easy-to-use method for quantification of occupational exposure to graphene. Methods that can identify graphene would be preferable for screening, but they are time consuming and semi-quantitative and therefore not suited for quantitative work environment assessments. The OC/EC-technique is a thermal optical analysis (TOA), that quantitively determines the amount of and distinguishes between two different types of carbon, organic and elemental. The technique is standardised, well-established and among other things used for diesel exposure measurements (ref standard). OC/EC could therefore be a feasible measuring technique to quantitively determine occupational exposure to graphene. The present evaluation of the technique provides an analytical method that works quantitatively for graphene, graphene oxide and reduced graphene oxide. Interestingly, the TOA technique makes it possible to distinguish between the three graphene forms used in this study. The technique was tested in an industrial setting and the outcome suggests that the technique is an efficient monitoring technique to be used in combination with characterisation techniques like for example Raman spectroscopy, scanning electron microscopy and atomic force microscopy.

The Measurement of Atmospheric Black Carbon: A Review.

Black Carbon (BC), the second-largest contributor to global warming, has detrimental effects on human health and the environment. However, the accurate quantification of BC poses a significant challenge, impeding the comprehensive assessment of its impacts. Therefore, this paper aims to critically review three quantitative methods for measuring BC: Thermal Optical Analysis (TOA), the Optical Method, and Laser-Induced Incandescence (LII). The determination principles, available commercial instruments, sources of deviation, and correction approaches associated with these techniques are systematically discussed. By synthesizing and comparing the quantitative results reported in previous studies, this paper aims to elucidate the underlying relationships and fundamental disparities among Elemental Carbon (EC), Equivalent Black Carbon (eBC), and Refractory Black Carbon (rBC). Finally, based on the current advancements in BC quantification, recommendations are proposed to guide future research directions.

Application of an Ultra-Low-Cost Passive Sampler for Light-Absorbing Carbon in Mongolia

Low-cost, long-term measures of air pollution concentrations are often needed for epidemiological studies and policy analyses of household air pollution. The Washington passive sampler (WPS), an ultra-low-cost method for measuring the long-term average levels of light-absorbing carbon (LAC) air pollution, uses digital images to measure the changes in the reflectance of a passively exposed paper filter. A prior publication on WPS reported high precision and reproducibility. Here, we deployed three methods to each of 10 households in Ulaanbaatar, Mongolia: one PurpleAir for PM2.5; two ultrasonic personal aerosol samplers (UPAS) with quartz filters for the thermal-optical analysis of elemental carbon (EC); and two WPS for LAC. We compared multiple rounds of 4-week-average measurements. The analyses calibrating the LAC to the elemental carbon measurement suggest that 1 µg of EC/m3 corresponds to 62 PI/month (R2 = 0.83). The EC-LAC calibration curve indicates an accuracy (root-mean-square error) of 3.1 µg of EC/m3, or ~21% of the average elemental carbon concentration. The RMSE values observed here for the WPS are comparable to the reported accuracy levels for other methods, including reference methods. Based on the precision and accuracy results shown here, as well as the increased simplicity of deployment, the WPS may merit further consideration for studying air quality in homes that use solid fuels.

Anisotropic thermal property characterizations and optical phonon contribution analysis of ZnO under high pressure

Zinc oxide (ZnO) is a wide band-gap semiconductor material with versatile applications in high-tech fields. Under high pressure, ZnO exhibits multiple phase transitions, which are of great significance for the development of photocatalysts, micro-devices with stress-controlled elements, and the investigation of relevant structure-activity relationships. However, previous studies have reported only theoretical calculations of its thermal transport properties under high pressure due to the challenges of experimental methodology. In this work, we employed a combination of the time-domain thermoreflectance technique and diamond anvil cell to characterize the anisotropic thermal properties of ZnO crystal under 0–20 GPa. Simultaneously, we studied the micro-structure of ZnO in the same pressure range by Raman spectra. Our proposed modified Leibfried-Schlomann equation adequately explained the non-monotonic trend of the thermal conductivity within 10 GPa observed in measurement results. Additionally, we report the ZnO thermal conductivity during the decompression process for the first time. Our experimental results and theoretical analysis advance the understanding of the thermal transport mechanism of wide-gap semiconductors under high pressure and pave the way for their high-pressure modification.

Development of a New Analytical Method for the Characterization and Quantification of the Organic and Inorganic Carbonaceous Fractions in Snow Samples Using TOC and TOT Analysis

Different Light-Absorbing Snow Impurities (LASI) can deposit on snow- and ice-covered surfaces. These particles are able to decrease snow and ice albedo and trigger positive albedo feedback. The aim of this work was to develop a new method to quantify the carbonaceous fractions that are present in snow and ice samples that contribute significantly to their darkening. Currently, in the literature, there is an absence of a unified and accepted method to perform these studies. To set up the method proposed here, snow samples were collected at two Italian locations, Claviere and Val di Pejo (Northern Italy). The samples were analyzed using two main techniques, Total Organic Carbon analysis (TOC analysis) and Thermal Optical analysis in Transmittance mode (TOT), which enabled the speciation of the carbonaceous fraction into organic (OC), inorganic (IC), and elemental carbon (EC), and further into the soluble and insoluble parts. The results highlighted a correlation between the nature of the sample (i.e., location, age, and exposure of the snow) and the experimental results, giving validity to the method. For example, the abundant presence of terrigenous constituents was reflected in high amounts of insoluble IC. Moreover, due to the trend between insoluble IC and Elemental Carbon (EC), the role of IC in TOT analysis was investigated. Indeed, IC turned out to be an interfering agent, suggesting that the two techniques (TOC analysis and TOT) are complementary and therefore need to be used in parallel when performing these studies. Finally, the results obtained indicate that the newly proposed method is suitable for studying the carbonaceous fractions in snow samples.

Correlation between Graphitic Carbon and Elemental Carbon in Diesel Particulate Matter in Workplace Atmospheres.

We investigated the suitability of the graphitic carbon (GC) content of diesel particulate matter (DPM), measured using Raman spectroscopy, as a surrogate measure of elemental carbon (EC) determined by thermal optical analysis. The Raman spectra in the range of 800-1800 cm-1 (including the D mode at ∼1322 cm-1 and the G mode at ∼1595 cm-1) were used for GC identification and quantification. Comparison of the Raman spectra for two certified DPM standards (NIST SRM 1650 and SRM 2975), two types of diesel engine exhaust soot, and three types of DPM-enriched workplace aerosols show that the uncertainty of GC quantification based on the D peak height, G peak height, and the total peak area below D and G peaks was about 6.0, 6.7, and 6.9%, respectively. The low uncertainty for different aerosol types suggested possible use of GC as a surrogate measure of EC in workplace atmospheres. A calibration curve was constructed using two laboratory-aerosolized DPM standards to describe the relationship between GC measured by a portable Raman spectrometer and the EC concentration determined by NIOSH Method 5040. The calibration curve was then applied to determine GC-based estimates of the EC contents of diesel engine exhaust samples from two vehicles and seven air samples collected at a hydraulic fracturing worksite. The GC-EC estimates obtained through Raman measurements agreed well with those found by NIOSH Method 5040 for the same samples at EC filter loadings below 2.86 μg/cm2. The study shows that using an appropriate sample collection method that avoids high filter mass loadings, onsite measurement of GC by a portable or hand-held Raman spectrometer can provide a useful indicator of EC in workplace aerosol.

First insight into seasonal variability of urban air quality of northern Pakistan: An emerging issue associated with health risks in Karakoram-Hindukush-Himalaya region

There is a dire need of air quality monitoring in the high-mountain areas of Karakoram-Hindu Kush-Himalaya (HKH) region, particularly related to the recent activities undergoing the China-Pakistan Economic Corridor (CPEC). This study presents the first baseline monitoring and evaluation findings from Gilgit city, Gilgit-Baltistan. Hourly data collection for air quality parameters (PM2.5, NO, NO2, SO2, O3 and CO) were measured using air-pointer (recordum, Austria) from 1 Jan 2018 to 31 Mar 2018 (winter) and 1 Jun 2018 to 31 Aug 2018 (summer). Our findings depict PM2.5 health limits were crossed in the winter season, while NO, NO2 and SO2 remained below their health limits. O3 and CO showed a rising trend in summer months, crossing the 8-h health limits during the season. Seasonal correlation in meteorology found an inverse relationship between most parameters and temperatures; reverse was true for O3 and CO. In parallel, thermal optical carbon analysis filter-based sampling characterized air quality into mass concentrations of PM2.5, organic carbon (OC), elemental carbon (EC) and various heavy metals. Filter-based PM2.5 correlated well with analyzer-based PM2.5 for all months that were studied, except February and March 2018. PM2.5, OC and EC were higher in summer as compared to winter, whereas higher heavy metal contributions were measured predominantly during summer. Health impacts were found to be above health limits for Ni in children only. Furthermore, principal component analysis-multiple linear regression (PCA-MLR) technique was applied to determine source apportionment, confirming the role of biomass burning in winters, and vehicular emissions in summers, highlighting the need for flexible monitoring of technologies/approaches, and communications among the various public, private agencies, and all relevant stakeholders.

The Relationship between Elemental Carbon and Volatile Organic Compounds in the Air of an Underground Metal Mine

Elemental carbon (EC) content in air is considered a proxy for the diesel exhaust impact at workplaces. This paper examines the possibility of estimating EC content in mine air on the basis of measurements of volatile organic compounds (VOC). The measurement study was carried out in an underground metal mine. Gas chromatography with mass spectrometry (GC/MS) was applied for VOC determination, and thermal-optical analysis (TOA) with an FID detector was utilized for EC measurements. A correlation was found between the measurements of EC and total VOC (TVOC) as well as the content of individual hydrocarbons C12–C14 in the air of an extraction zone in the mine. A regression model was developed which predicts EC based on C12, C13, and C14, considered individually, and the remaining VOCs detected with GC/MS taken in total. The model was statistically significant (p = 0.053), and it offered an EC prediction error of RMSE = 4.60 µg/sample. The obtained result confirms the possibility of using VOC measurements for the preliminary estimation of EC concentrations in mine air. This approach is feasible given the availability of portable GC/MS and offers easy and fast measurements providing qualitative and quantitative information.

Effects of Atmospheric Aging Processes on Nascent Sea Spray Aerosol Physicochemical Properties.

The effects of atmospheric aging on single-particle nascent sea spray aerosol (nSSA) physicochemical properties, such as morphology, composition, phase state, and water uptake, are important to understanding their impacts on the Earth's climate. The present study investigates these properties by focusing on the aged SSA (size range of 0.1-0.6 μm) and comparing with a similar size range nSSA, both generated at a peak of a phytoplankton bloom during a mesocosm study. The aged SSAs were generated by exposing nSSA to OH radicals with exposures equivalent to 4-5 days of atmospheric aging. Complementary filter-based thermal optical analysis, atomic force microscopy (AFM), and AFM photothermal infrared spectroscopy were utilized. Both nSSA and aged SSA showed an increase in the organic mass fraction with decreasing particle sizes. In addition, aging results in a further increase of the organic mass fraction, which can be attributed to new particle formation and oxidation of volatile organic compounds followed by condensation on pre-existing particles. The results are consistent with single-particle measurements that showed a relative increase in the abundance of aged SSA core-shells with significantly higher organic coating thickness, relative to nSSA. Increased hygroscopicity was observed for aged SSA core-shells, which had more oxygenated organic species. Rounded nSSA and aged SSA had similar hygroscopicity and no apparent changes in the composition. The observed changes in aged SSA physicochemical properties showed a significant size-dependence and particle-to-particle variability. Overall, results showed that the atmospheric aging can significantly influence the nSSA physicochemical properties, thus altering the SSA effects on the climate.

Optical properties of incipient soot

The exact knowledge of the optical properties of soot nanoparticles is fundamental for several aspects including the correct determination of the soot concentration in combustion environments using optical diagnostics and the correct estimation of the environmental impact of the emitted particles. Although extensive researches over the years have led to a substantial agreement on the optical properties of mature soot particles, the optical properties of the incipient soot nanoparticles are still uncertain. From the particle inception point to the formation of large and more mature soot particles, the evolution of the optical properties must account for variations due to the size and the physicochemical transformation of the investigated particles. This work aims to determine the refractive index and optical properties of inception particles formed in lightly sooting flames. A previous determination based on in-situ light absorption and scattering measurements is revisited taking advantage of particle size measurements by differential mobility analysis. The spectral dependencies of the optical properties are derived by the Kramers-Krӧnig analysis of the ex-situ VUV-NIR light absorption measurements. Results confirm the strong decrease in the absorptivity in the vis-NIR region of inception particles with unimodal size distribution and d63∼3 nm, and confirm a strong size dependency of soot optical properties. The thermal-optical analysis of the sampled particles shows that the particle mass absorption coefficient also correlates with organic carbon content.

Thermal-Optical Evaluation of an Optimized Trough Solar Concentrator for an Advanced Solar-Tracking Application Using Shape Memory Alloy.

One of the modern methods for enhancing the efficiency of photovoltaic (PV) systems is implementing a solar tracking mechanism in order to redirect PV modules toward the sun throughout the day. However, the use of solar trackers increases the system’s electrical consumption, hindering its net generated energy. In this study, a novel self-tracking solar-driven PV system is proposed. The smart solar-driven thermomechanical actuator takes advantage of a solar heat collector (SHC) device, in the form of a parabolic trough solar concentrator (PTC), and smart shape memory alloy (SMA) to produce effective mechanical energy for solar tracking applications from sun rays. Furthermore, a thermal–optical analysis is presented to evaluate the performance of the solar concentrator for the simulated weather condition of Dammam City, Saudi Arabia. The numerical results of the thermal and optical analyses show the promising feasibility of the proposed system in which SMA springs with an activation temperature between 31.09 °C and 45.15 °C can be utilized for the self-tracking operations. The work presented adds to the body of knowledge an advanced SMA-based SHC device for solar-based self-actuation systems, which enables further expansions within modern and advanced solar thermal applications.

Quantifying residual elemental carbon by thermal-optical analysis using an extended IMPROVE_A protocol with higher maximum temperature

ABSTRACT Thermal-optical analysis (TOA) has long been used to quantify organic carbon (OC) and elemental carbon (EC) on quartz-fiber filter samples collected in national ambient air monitoring networks. In the routine analysis of samples from the Chemical Speciation Network (CSN), we observed a considerable fraction of filter punches that remain gray or black in color after TOA was completed, suggesting the presence of EC that was not fully evolved at the highest temperature specified by the IMPROVE_A protocol (840°C). In this work, we explored the operational conditions necessary to evolve and quantify such residual EC. First, four heavily loaded CSN samples were analyzed to evaluate modifications to the IMPROVE_A protocol. We found that adding a higher temperature step at 930°C more effectively evolved the residual EC than did lengthening the duration of the 840°C step. Compared with the standard IMPROVE_A results, the modified protocol evolved additional EC of 1.08 to 4.45 µg cm−2 in mass, or 0.12 to 0.50 µg m−3 in concentration. This excess EC accounts for 27.1% to 45.3% of the total EC and 7.6% to 25.1% of the total carbon by standard IMPROVE_A. We then analyzed over 2600 samples from CSN using the extended IMPROVE_A protocol with higher maximum temperature (930°C). A total of 168 samples (6.4% of the total samples analyzed) contained measurable EC at the 930°C step. The average fraction of the evolvable residual EC mass in total EC is 5.7%, and up to 28% for samples with high total EC mass loading (i.e., 95th percentile and above). Implications: Our results suggest that CSN EC measured by the standard IMPROVE_A protocol should be considereda lower limit, and that a higher maximum heating temperature can be used tobetter quantify EC from CSN sites impacted by fresh urban emissions.

Particulate matter fingerprints in biofuel impacted tunnels in South America's largest metropolitan area

This study characterized the chemical composition of particulate matter (PM) from light- (LDV) and heavy-duty (HDV) vehicles based on two traffic tunnel samplings carried out in the megacity of São Paulo (Brazil), which has >7 million vehicles and intense biofuel use. The samples were collected with high-volume samplers and analyzed using chemical characterization techniques (ion and gas chromatography, thermal-optical analysis, and inductively coupled plasma mass spectroscopy). Chemical source profiles (%) were calculated based on the measurements performed inside and outside the tunnels. Identifying a high abundance of Fe and Cu for traffic-related PM in the LDV-impacted tunnel was possible, linked with the emission of vehicles powered by ethanol and gasohol (gasoline and ethanol blend). We calculated diagnostic ratios (e.g., EC/Cu, Fe/Cu, pyrene/benzo[a]pyrene, pyrene/benzo[b]fluoranthene, and fluoranthene/benzo[b]fluoranthene) characteristic of fuel exhausts (diesel/biodiesel and ethanol/gasohol), allowing their use in the assessment of the temporal variation of the fuel type used in urban sites. Element diagnostic ratios (Cu/Sb and Fe/Cu) pointed to the predominance of LDVs exhaust-related copper and can differentiate LDVs exhaust from brake wear emissions. The carbonaceous fraction EC3 was suggested as an HDV emission tracer. A higher total polycyclic aromatic hydrocarbons (PAHs) fraction of traffic-related PM2.5 was observed in the HDV-impacted tunnel, with a predominance of diesel-related pyrene and fluoranthene, as well as higher oxy-PAHs (e.g., 9,10-anthraquinone, associated with biodiesel blends) abundances. However, carcinogenic species presented higher abundances for the LDV-impacted tunnel (e.g., benzo[a]pyrene). These findings highlighted the impact of biofuels on the characteristic ratios of chemical species and pointed to possible markers for LDVs and HDVs exhausts.

Thermal-optical characteristics analysis of an aerial camera optical system.

Ambient temperature is one of the important factors affecting the imaging quality of the optical system. Therefore, it is necessary to analyze the thermal-optical characteristics of the optical system when studying the imaging quality of the optical system. Taking the self-made aerial camera optical system as an example, this paper reports the use of the finite element software ANSYS to analyze the thermal stress of the aerial camera optical system, the use of the homogeneous coordinate transformation method to remove the rigid body displacement caused by the mirror surface, and the performance of a Zernike polynomial simulation on the processed surface data. Together, the Zernike coefficients obtained after the fitting are substituted into the ZEMAX optical software to express the surface shape obtained after deformation to analyze the changes in optical imaging quality under thermal environmental conditions. The results of the experiment show that when the working environmental temperature is 50°C, the (MTF) decreases from 0.371 to 0.315 and, when the working environmental temperature is -40∘C, the MTF decreases from 0.371 to 0.285. The comparison results of the experiment and simulation show that the environmental temperature is heating up or, under the condition of cooling, the imaging quality of the aerial camera will be reduced. The thermal-optical analysis method can be used to simulate the actual use conditions of the aerial camera optical system and predict the imaging quality change trend of the optical system. The method of thermo-optical analysis has important guiding significance for the design of an optical-mechanical system.

Thermal–optical analysis of quartz fiber filters loaded with snow samples – determination of iron based on interferences caused by mineral dust

Abstract. The determination of mineral dust and elemental carbon in snow samples is of great interest, since both compounds are known to be light-absorbing snow impurities. Different analytical methods have to be used to quantify both compounds. The occurrence of mineral dust, which contains hematite, leads to a bias in the quantification of elemental carbon and organic carbon via thermal–optical analysis. Here we present an approach which utilizes this interference to determine the concentration of iron via thermal–optical analysis using a Lab OC / EC Aerosol Analyzer (Sunset Laboratory Inc.) and the EUSAAR2 protocol. For this, the temperature dependency of the transmittance signal determined during the calibration phase, i.e., when all carbonaceous compounds are already removed, is evaluated. Converting the transmittance signal into an attenuation, a linear relationship between this attenuation and the iron loading is obtained for loadings ranging from 10 to 100 µg Fe cm−2. Furthermore, evaluation of the transmittance signal during the calibration phase allows to identify samples which need to be re-evaluated, since the analysis of elemental carbon and organic carbon is biased by constituents of mineral dust. The method, which was initially designed for snow samples, can also be used to evaluate particulate matter samples collected within the same high alpine environment. When applying the method to a new set of samples it is crucial to check whether the composition of iron compounds and the sample matrix remain comparable. If other sources than mineral dust determine the iron concentration in particulate matter, these samples cannot be evaluated with thermal–optical analysis. This is shown exemplarily with data from particulate matter samples collected in a railway tunnel.

The organic coating unit, an all-in-one system for reproducible generation of secondary organic matter aerosol

We report on a novel automated oxidation flow reactor to generate a wide variety of organic aerosol samples. The instrument is equipped with a humidifier, a dosing system for volatile organic precursors and an oxidation flow reactor (OFR) for generation of secondary organic matter (SOM). The instrument, known as organic coating unit (OCU), can produce homogeneously nucleated SOM particles or, used in combination with a standard combustion generator (e.g., a diffusion flame soot generator or any other seed particle), particles coated with a controlled amount of SOM. The physical and chemical properties of the generated particles can be controlled in a simple manner by selecting through a touch-screen target values for parameters, such as organic gaseous precursor concentration, humidity, and UV (ultraviolet) light intensity. Parameters and measured quantities are automatically stored in text files for easy export and analysis. Furthermore, we provide stable operation conditions and characterize the physicochemical properties of the generated aerosols with an array of methods, including transmission electron microscopy (TEM), thermal-optical analysis and liquid chromatography coupled with mass spectrometry (LC-MS). This all-in-one instrument is robust, compact, portable, and user-friendly, making it ideal for laboratory or field-based aerosol studies.

Synthesis, molecular structural, optical, thermal and third harmonic nonlinear optical analysis of Piperazine-1,4-diium bis(2-carboxy-6-nitrobenzoate) tetrahydrate single crystal

Structure and molecular interactions of the title molecular salt (NPP) were established by X-ray diffraction. The elucidated structure model assigns centrosymmetric triclinic arrangement for the molecules. Molecular packing was established through robust O–H⋯O, N–H⋯O and C–H⋯O hydrogen bond network revealing infinite chains, sheets and spiral ladder patterns. The molecular patterns were abridged through C–H … π and π – π linkages expressing several S and R graph set motifs. Single crystals of NPP with defined morphology were grown by the method of slow evaporation from solution from 1: 1 mixed solvent of methanol and water. FT- IR, FT - Raman spectra reinforced the functional groups and with NMR spectra, the protonated-deprotonated nature of the title molecule. UV–visible, Urbach plot, photoluminescence and fluorescence spectral profiles endorsed the electronic transitions and photophysical properties of NPP. Z-scan profile in the closed and open aperture modes was deployed to estimate the magnitude of the third-order nonlinear optical constants. Thermogravimetry coupled with Differential Scanning Calorimetry (DSC) declare the optimal thermal stability of the material till 71.8 °C.