Products Of Chemical Reactions Research Articles

Hot Corrosion Behavior of Single-Layered Gd2Zr2O7, Sm2Zr2O7, and Nd2Zr2O7 Thermal Barrier Coatings Exposed to Na2SO4 + MgSO4 Environment

Zirconates of rare earth elements have emerged as promising candidates for thermal barrier coatings (TBC). This study investigates the hot corrosion resistance of single-layered ceramic coatings composed of Gd2Zr2O7, Sm2Zr2O7, and Nd2Zr2O7. The coatings were prepared using air plasma spraying and applied to an Inconel [IN] 625 substrate. Experimental assessments were conducted to examine the hot corrosion behaviour by subjecting the coatings to pure magnesium sulfate (MgSO4) salt at 1000 °C for 24 h and a 50/50 mole percent Na2SO4 and MgSO4 mixture at 900 °C for cyclic durations of 5, 10, 15, and 20 h. This combination of salts creates a highly corrosive environment. This short test was carried out due to the necessity of the initial stages of the destruction process characterization. X-ray diffraction (XRD), scanning electron microscopy (SEM), and energy dispersion spectroscopy (EDS) techniques were utilized to identify and analyse the reaction products. At 1000 °C, no chemical reaction products were observed between MgSO4 and Gd2Zr2O7, Sm2Zr2O7, and Nd2Zr2O7. However, in the presence of the MgSO4 + Na2SO4 mixture, the zirconate coatings reacted, resulting in the formation of reaction products such as Gd(SO4)3, Gd2O2SO4, Gd2O3, Sm2O2SO4, Sm2(SO4)3, Sm2O3, MgO, Nd2(SO4)3, Na2O, and m-ZrO2. These compounds are formed due to the interaction of rare earth oxides with a low-temperature-melting eutectic Na2SO4+ (3MgSO4 × Na2SO4) melted at 666 °C. Despite the aggressive nature of the corrosive environment, the decomposition of rare earth zirconates was relatively limited, indicating satisfactory resistance to hot corrosion. Among the zirconate systems studied, Gd2Zr2O7 exhibited the lowest resistance to the MgSO4 + Na2SO4-based corrosive environment, while Sm2Zr2O7 and Nd2Zr2O7 demonstrated better corrosion resistance.

Learning Chemistry, Connecting Ecological Citizenship and Environmental Sustainability: “A Plate of Food” as a Learning Medium

Highlights Using a new concept of “a plate of food” (aPoF), a symbol of meaningful chemical reaction products, this article addresses the Grade 10 students’ chemistry anxiety in Indonesia. In line with the ecological citizenship and pro-environmental behavior perspectives, the aPoF is conceptualized based on environmental concerns such as food sustainability, food-critical consciousness, and the earth's carrying capacity. This means that the aPoF is beneficial to support Sustainable Development Goals #2 Zero Hunger, #4 Quality Education, and #12 Responsible Consumption and Production. Based on our results, we suggest that chemistry teachers can give more space for students to express their difficulties in learning chemistry. The space can be delivered by giving assignments focusing on the students’ feelings and experiences related to a certain chemistry topic.

Investigation of the Efficiency of a Dual-Fuel Gas Turbine Combustion Chamber with a Plasma‒Chemical Element

Abstract The study is devoted to the possibility of increasing the efficiency of the working process in dual-fuel combustion chambers of gas turbine engines for FPSO vessels. For the first time, it is proposed to use the advantages of plasma‒chemical intensification of the combustion of hydrocarbon fuels in the dual-fuel combustion chambers, which can simultaneously operate on gaseous and liquid fuels. A design scheme of a combustion chamber with a plasma‒chemical element is proposed. A continuous type mathematical model of a combustion chamber with a plasma‒chemical element has been developed, which is based on the solution of a system of differential equations describing the processes of chemical reactions in a turbulent system, taking into consideration the initiating effect of the products of plasma‒chemical reactions on the processes of flame propagation. A modified six-stage kinetic scheme of hydrocarbon oxidation was used to simultaneously predict the combustion characteristics of the gaseous and liquid fuels, taking into account the decrease in the activation energy of carbon monoxide oxidation reactions when the products of the plasma‒chemical element are added. The results reveal that the addition of plasma‒chemical products significantly reduces CO emissions in the outlet section of the flame tube (from 25‒28 ppm to 3.9‒4.6 ppm), while the emission of nitrogen oxides remains practically unchanged for the studied combustion chamber. Further research directions are proposed to enhance the working process efficiency of a dual-fuel combustion chamber for gas turbine engines as part of the power plant of FSPO vessels.

Avoiding the Empty Review: Answering “How Novel and Significant Is This Research?” as a Peer Reviewer

ADVERTISEMENT RETURN TO ISSUEEditorialNEXTAvoiding the Empty Review: Answering “How Novel and Significant Is This Research?” as a Peer ReviewerSara E. Skrabalak*Sara E. Skrabalak*Email: [email protected]More by Sara E. Skrabalakhttps://orcid.org/0000-0002-1873-100XCite this: Chem. Mater. 2023, 35, 10, 3743–3744Publication Date (Web):May 23, 2023Publication History Received4 May 2023Published online23 May 2023Published inissue 23 May 2023https://doi.org/10.1021/acs.chemmater.3c01046Copyright © 2023 American Chemical SocietyRIGHTS & PERMISSIONSArticle Views-Altmetric-Citations-LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InReddit PDF (860 KB) Get e-AlertsSUBJECTS:Chemical structure,Mathematical methods,Physical and chemical processes,Reaction products,Testing and assessment Get e-Alerts

Crystallization features of YBa2Cu3O7-δ single crystals in 2YBa4Cu3O9-δ + BaCu2O2 + CuO2 system

In this article, a consistent study of phase transformations during the crystallization of YBa2Cu3O7-δ compound was carried out using XRD, thermogravimetric and differential thermal analyzes, as well as optical microscopy. When studying the microstructure and elemental composition in the reaction zone in the process of obtaining single crystals by the crucible-less method, the products of chemical reactions were identified depending on the composition of the reacting components and synthesis conditions. It has been established that the use of precursors Y2BaCuO5, YBa4Cu3O9-δ and ВаCu2O2 as initial reagents has made it possible to carry out the direct synthesis of YBa2Cu3O7-δ single crystals without the formation of intermediate phases. The superconductor has been synthesized at 1270 K on single-crystal MgO substrates with the (001) orientation, since their surface is poorly wetted by the melt solution and stimulates the YBa2Cu3O7-δ nucleation process. This ensures the minimum loss of the liquid fraction formed in the sample. The growth conditions for YBa2Cu3O7-δ single crystals have been studied and optimized. It has been experimentally revealed that the use of combined cooling conditions leads to an increase in the size of single crystals and a reduction in the time of their growth without changing the quality and crystal structure. The investigation showed that the largest volume (50 mm3) was achieved for single-phase YBa2Cu3O7-δ single crystals grown at a cooling rate of 0.5 deg/h in the temperature range 1260–1240 K and at a rate of 1.2 deg/h in the range 1240–1210 K. An analysis of the Laue rotation lines obtained in this work indicates the presence of blocks in single crystals cooled in the temperature range 1243–1193 K at a cooling rate of 1.5 deg/h and their absence in crystals cooled at 1.2 deg/h. An assessment of the degree of perfection of the structure by the width of the rocking curves at half-height of the X-ray reflection (006) showed that the width of the rocking curves of 0.36 deg indicates the absence of structural defects, such as twins, blockiness, and shear defects.

Structural Investigation of Beta-Cyclodextrin Complexes with Cannabidiol and Delta-9-Tetrahydrocannabinol in 1:1 and 2:1 Host-Guest Stoichiometry: Molecular Docking and Density Functional Calculations.

The complexation of β-cyclodextrin (β-CD) with cannabidiol (CBD) and Δ9-tetrahydrocannabinol (THC) was investigated using molecular docking and M062X/6-31G(d,p) calculations. The calculations suggested two possible complex formations of 1:1 and 2:1 host-guest molecular ratio of β-CD with CBD and THC. The preferred orientation of all complexes in this study exhibited the hydrogen bonding between hydroxy-substituted benzene ring of CBD and THC with the β-CD's secondary hydroxy groups at the wide rim. The calculated complexation energies indicate that formation of the 2:1 complexes (-83.53 to -135.36 kcal/mol) was more energetically favorable and chemically stable than the 1:1 complexes (-30.00 to -34.92 kcal/mol). However, the deformation energies of the host and the guest components in the 2:1 complexes (37.47-96.91 kcal/mol) are much higher than those in the 1:1 complexes (3.49-8.69 kcal/mol), which means the formation processes of the 2:1 complexes are more difficult due to the rigidity of the dimeric β-CDs. Therefore, the inclusion complexes of β-CD with CBD and THC are more likely to be in 1:1 host-guest ratio than in 2:1 molecular ratio. The results of this study supported the experimental results that the complexation constant of 1:1 β-CD/CBD (Ks = 300 M-1) is greater than that of 2:1 β-CDs/CBD (Kss = 0.833 M-1). Altogether, this study introduced the fitting parameters that could indicate the stability of the molecular fits in complex formation of each stoichiometry host-guest ratio, which are important for the assessment of the inclusion mechanisms as well as the relationships of reactants and products in chemical reactions.

Parallel detection of chemical reactions in a microfluidic platform using hyperpolarized nuclear magnetic resonance.

The sensitivity of NMR may be enhanced by more than four orders of magnitude via dissolution dynamic nuclear polarization (dDNP), potentially allowing real-time, in situ analysis of chemical reactions. However, there has been no widespread use of the technique for this application and the major limitation has been the low experimental throughput caused by the time-consuming polarization build-up process at cryogenic temperatures and fast decay of the hyper-intense signal post dissolution. To overcome this limitation, we have developed a microfluidic device compatible with dDNP-MR spectroscopic imaging methods for detection of reactants and products in chemical reactions in which up to 8 reactions can be measured simultaneously using a single dDNP sample. Multiple MR spectroscopic data sets can be generated under the same exact conditions of hyperpolarized solute polarization, concentration, pH, and temperature. A proof-of-concept for the technology is demonstrated by identifying the reactants in the decarboxylation of pyruvate via hydrogen peroxide (e.g. 2-hydroperoxy-2-hydroxypropanoate, peroxymonocarbonate and CO2). dDNP-MR allows tracing of fast chemical reactions that would be barely detectable at thermal equilibrium by MR. We envisage that dDNP-MR spectroscopic imaging combined with microfluidics will provide a new high-throughput method for dDNP enhanced MR analysis of multiple components in chemical reactions and for non-destructive in situ metabolic analysis of hyperpolarized substrates in biological samples for laboratory and preclinical research.

Elimination of uncertainties in solving the problems of ensuring the profitability of hydraulic fracturing using FiberFrac technology

The main type of geological and technical measures in the oil fields of Western Siberia today is hydraulic fracturing. The widespread use of this method of intensifying oil production is due to its undeniable advantages over other technologies. However, hydraulic fracturing is not without significant drawbacks - clogging of the bottomhole zone with proppant and products of chemical reactions, as well as premature watering of well products. All of the above is the reason for the relevance of improving this event. The FiberFrac technology is proposed, the essence of which is to add the chemical reagent of the same name to the process fluid with further formation of a reinforcing mesh in the last one. The purpose of the article is to study the features of the physico-chemical properties of the FiberFrac solution using the analysis of geological and field data, to evaluate the technical and economic efficiency of the application of this measure based on the correlation analysis of statistical data and the calculation of economic efficiency using the discount method, to substantiate the advantages of FiberFrac over the standard operation hydraulic fracturing.

STUDY OF THE EFFECT OF PLASMA CHEMICAL OXIDATION OF ETHYLENE IMPURITY ON THE EFFICIENCY OF BANANA STORAGE

The effect of the products of plasma chemical reactions (including ozone) on the storage of fruits and berries was studied. Being the product of greatest commercial interest, bananas were selected as the test object. It was shown that the growth of pathogenic microflora is effectively inhibited by the products of plasma chemical reactions. It was shown that the use of a plasma chemical system, due to which ethylene concentration is reduced and ozone concentration is simultaneously maintained at the level of several ppm, could reduce the amount of spoiled products by several times.

Experimental Study on Properties of Modified City Wall Soil

Due to the special geographical location, climatic characteristics, special soil properties and the flood zone of the Yellow River in Kaifeng, the groundwater level in the lower reaches of the river basin is high and contains much salt. The matrix suction and surface free energy of the Kaifeng city wall earthen site changed under capillary action, resulting in cracking, peeling and efflorescence to varying degrees. In order to reduce the deterioration of the Kaifeng city wall caused by environmental erosion, a select lime with excellent mechanical properties and waterproof methanesiliconic acid sodium salt with excellent water resistance were chosen to reinforce the earthen sites. In this paper, 0%, 3%, 5% and 7% lime, and 0%, 1%, 2% and 3% waterproof materials were selected to determine four types of imitation site soil with 16 different mix proportion samples. Further, samples with different mixing ratios were subjected to direct shear, a disintegration test, and a microscopic scanning electron microscope test. The results show that under different normal stresses, with the increase in waterproof material content, the growth rate of shear strength of imitation site soil ranges from 1.82% to 10.81%. With the increase in lime content, the shear strength of imitation site soil increases rapidly, up to 38.16%. Both materials can improve the shear strength of the soil site. Under reinforcement with the two materials, the cohesive force of the imitation site soil can be improved at a maximum rate of 59.23%, and the internal friction angle changes in the range of 36.72°-41.61°. Compared with the sample without waterproof material, the mass water absorption rate of the sample with waterproof material decreases in the range of 2.76-27.77, and with the increase in waterproof material, the mass water absorption rate of the sample gradually decreases. The chemical reaction products of the waterproof materials and lime can play a filling role in silty clay; filling micro-pores and micro-cracks between soil particles.

CovBinderInPDB: A Structure-Based Covalent Binder Database.

Covalent inhibition has emerged as a promising orthogonal approach for drug discovery, despite the significant challenge in achieving target specificity. To facilitate the structure-based rational design of target-specific covalent modulators, we developed an integrated computational protocol to curate covalent binders from the RCSB Protein Data Bank (PDB). Starting from the macromolecular crystallographic information files (mmCIF) in the PDB archive, covalent bond records, which indicate the side chain modification of amino acid residue by a covalent binder, were collected and cleaned. Then, residue-binder adducts, which are products of chemical reactions between targeted residues and covalent binders, were recovered with the help of the Chemical Component Dictionary in PDB. Finally, several strategies were employed to curate the pre-reaction forms of covalent binders from the adducts. Our curated CovBinderInPDB database contains 7375 covalent modifications in which 2189 unique covalent binders target nine types of amino acid residues (Cys, Lys, Ser, Asp, Glu, His, Met, Thr, and Tyr) from 3555 complex structures of 1170 unique protein chains. This database would set a solid foundation for developing and benchmarking computational strategies for covalent modulator design and is freely accessible at https://yzhang.hpc.nyu.edu/CovBinderInPDB.

Nitrogen immobilization caused by chemical formation of black- and amide-N in soil

Nitrogen (N) immobilization controls the N availability in soil, however, mechanisms involved in the chemical N fixation into soil organic N (SON) through reactions of reactive N compounds with soil organic matter (SOM) is not clear. Knowledge about the composition and stability of chemically produced SON is limited, which impedes understanding of the interplay of N and carbon (C) cycles at both the local and global scale. Here, we studied the chemical N immobilization of nitrite in soils from grassland, cropland, and forest with 15N labelling technique. And solid state 15N- and 13C NMR spectroscopies were applied to further explore the structure of chemically immobilized SON. We found that the chemical retention rate of nitrite did not differ significantly between land-uses, while the fulvic acid fraction was the SOM component most reactive to nitrite. In contrast to the common assumption that amides are mainly of biological origin and that black N compounds are formed from organic N compounds at high temperature during fires, our study revealed that amides and black N in the form of pyrroles were the main products of chemical reactions of nitrite with SOM. These findings indicate that chemical processes play a key role in biogeochemical N cycling, and provide new insight into the mechanisms of CN interactions in soil.

Numerical modeling of water pollution by products of chemical reactions from the activities of industrial facilities at variable and constant temperatures of the environment

The work focuses on the behavior of heated effluents discharged at elevated temperatures into the Ilek River, which is located in the city of Aktobe, Kazakhstan, as a result of industrial activities. This study is aimed at studying the dispersion characteristics of heated effluents in the near and far fields at different flow rates and dynamic conditions of the river. The chemical reaction, which is formed as a result of the combination of the ejected substance and the substance in water, is numerically investigated. The work took into account the variable temperature of the river, which changes during the day, and the values were compared with the results of modeling at a constant river temperature. It was found that, although the emitted element HNO2 does not exceed the maximum permissible value (MPC), but the resulting products (HNO3,HCl) exceed the MPC several times and cause significant damage to the aquatic environment.

Formation and consumption of HO2 radicals in ns pulse O2–He plasmas over a liquid water surface

Hydroperoxyl (HO2) radicals are an important precursor in the formation of hydrogen peroxide (H2O2), a key species in plasma-liquid interactions, such that their formation and consumption pathways need to be understood. In this work, the generation and decay of HO2 have been studied in a controlled environment, in ns pulse discharge O2–He plasmas in contact with a liquid water surface. For this, time-resolved, absolute number densities of HO2 in O2–He mixtures excited by a repetitive ns pulse discharge are measured in situ by cavity ring down spectroscopy (CRDS). The discharge cell with external electrodes to generate the plasma and a water reservoir are integrated into the CRDS cavity. The high-reflectivity cavity mirrors are purged with helium to protect them from water vapor condensation. The experimental results are obtained at near room temperature, both during the discharge pulse burst and in the afterglow. The HO2 number density is inferred from the CRDS data using a spectral model exhibiting good agreement with previous measurements of absolute HO2 absorption cross sections. HO2 is generated during the discharge burst and decays in the afterglow between the bursts. The HO2 number density is also measured vs. the O2 fraction in the mixture. Comparison with the kinetic modeling predictions demonstrates good agreement with the data and identifies the dominant HO2 generation and decay processes. HO2 in the plasma is formed predominantly by the recombination of H atoms, generated by the electron impact dissociation of water vapor, with O2 molecules. Reactions with O atoms and hydroxyl (OH) radicals are among the main HO2 decay processes in the afterglow. HO2 is also detected when O2 is not present in the mixture. In this case, it is generated primarily by the recombination of OH radicals, via the formation of H2O2. The results demonstrate that CRDS can also be used for HO2 and other plasma chemical reaction product measurements in atmospheric pressure plasma jets impinging on a liquid water surface in ambient air.

On scientific understanding with artificial intelligence.

An oracle that correctly predicts the outcome of every particle physics experiment, the products of every possible chemical reaction or the function of every protein would revolutionize science and technology. However, scientists would not be entirely satisfied because they would want to comprehend how the oracle made these predictions. This is scientific understanding, one of the main aims of science. With the increase in the available computational power and advances in artificial intelligence, a natural question arises: how can advanced computational systems, and specifically artificial intelligence, contribute to new scientific understanding or gain it autonomously? Trying to answer this question, we adopted a definition of ‘scientific understanding’ from the philosophy of science that enabled us to overview the scattered literature on the topic and, combined with dozens of anecdotes from scientists, map out three dimensions of computer-assisted scientific understanding. For each dimension, we review the existing state of the art and discuss future developments. We hope that this Perspective will inspire and focus research directions in this multidisciplinary emerging field.

Development of self-generated proppant based on modified low-density and low-viscosity epoxy resin and its evaluation

Hydraulic fracturing is a critical technology for the economic development of unconventional oil and gas reservoirs. The main factor influencing fracture propping and reservoir stimulation effect is proppant performance. The increasing depth of fractured oil and gas reservoirs is causing growing difficulty in hydraulic fracturing. Moreover, the migration of conventional proppants within the fracture is always limited due to small fracture width and rigid proppant structure. Thus, proppants with good transportation capacity and fracture propping effects are needed. First, a novel self-generated proppant based on toughened low-viscosity and low-density epoxy resin was developed to satisfy this demand. Then, proppant performances were evaluated. Low-viscosity and low-density epoxy resin was generated when the thiol-ene click chemical reaction product of eugenol and 1-thioglycerol reacts with the epichlorohydrin. Then, the resin was toughened with graphite particles to increase its compressive strength from 50.8 to 72.1 MPa based on micro-cracking mechanism and crazing-nail anchor mechanism. The adduct of diethylene triamine and butyl glycidyl ether and the SiO 2 nanoparticles were treated as the curing agent and emulsifier respectively to form the emulsion. The emulsion is transformed into solid particles of various sizes within a reservoir to prop the fracture. Evaluation shows good migration capacity of this self-generated proppant due to the low density of epoxy resin.

Bloodstain Metabolite Markers: Discovery and Validation for Estimating Age of Bloodstain within 7 Days.

Metabolomic research using analytical chemistry methods has been carried out in a wide range of research fields. However, research combining forensic science and metabolomics is rare. Determining the age of bloodstains could provide key information regarding when a crime was committed. Currently, validated methods for estimating the age of bloodstains are unavailable. Metabolites are intermediate and final products of chemical reactions. Therefore, they are less likely to be degraded than other components of blood under field conditions. In this study, metabolites in bloodstains were analyzed using liquid chromatography-mass spectrometry to discover and validate metabolic markers for determining the age of bloodstains within a week post-bleeding. Nontargeted analysis of bloodstain metabolites revealed statistically significant differences over time. Quantitative analysis of identified candidates via multiple reaction monitoring confirmed the statistical significance according to the age of bloodstain. Pyroglutamic acid, l-glutamine, acetylcarnitine, and adenosine 5'-monophosphate were selected as the final markers. The content of each marker exhibited a statistically significant and consistent tendency to decrease with the age of bloodstain. Furthermore, the effect of hemolysis was considered according to the blood fraction spots of the four markers. This study is the first to identify and validate metabolite markers that may help determine the age of bloodstains within a week post-bleeding. If applied to crime scenes as indicators of the age of bloodstains, they can be used as innovative and important tools for reconstructing crime scenes, suggesting initial investigative direction. This study highlights the forensic utility of blood metabolites ex vivo.

Improving Chemical Reaction Prediction with Unlabeled Data.

Predicting products of organic chemical reactions is useful in chemical sciences, especially when one or more reactants are new organics. However, the performance of traditional learning models heavily relies on high-quality labeled data. In this work, to utilize unlabeled data for better prediction performance, we propose a method that combines semi-supervised learning with graph convolutional neural networks for chemical reaction prediction. First, we propose a Mean Teacher Weisfeiler–Lehman Network to find the reaction centers. Then, we construct the candidate product set. Finally, we use an Improved Weisfeiler–Lehman Difference Network to rank candidate products. Experimental results demonstrate that, with 400k labeled data, our framework can improve the top-5 accuracy by 0.7% using 35k unlabeled data. When the proportion of unlabeled data increases, the performance gain can be larger. For example, with 80k labeled data and 35k unlabeled data, the performance gain with our framework can be 1.8%.

Numerical Simulation Study on the Effect of Horizontal Well Reservoir Stimulation for Gas Hydrate Production

AbstractA new gas hydrate reservoir stimulation method of in‐situ fracturing with transient heating is proposed, in line with analysis of the technological bottlenecks faced by marine gas hydrate production. This method injects the developed chemical reagents into a hydrate reservoir through hydraulic fracturing, releasing heat during the chemical reaction to increase the hydrate decomposition rate. The chemical reaction product furthermore has a honeycomb structure to support fractures and increase reservoir permeability. Based on the geological model of natural gas hydrate in the South China Sea, three development methods are simulated to evaluate hydrate production capacity, consisting of horizontal well, fractured horizontal well and in‐situ fracturing with transient heating well. Compared with the horizontal well, the simulation results show that the cumulative gas production of the fractured horizontal well in one year is 7 times that of the horizontal well, while the cumulative gas production of in‐situ fracturing with transient heating well is 12 times that of the horizontal well, which significantly improves daily efficiency and cumulative gas production. In addition, the variation patterns of hydrate saturation and temperature‐pressure fields with production time for the three exploitation plans are presented, it being found that three sensitive parameters of fracture conductivity, fracture half‐length and fracture number are positively correlated with hydrate production enhancement. Through the simulations, basic data and theoretical support for the optimization of gas hydrate reservoir stimulation scheme has been provided.

Assignment-free chirality detection in unknown samples via microwave three-wave mixing

Straightforward identification of chiral molecules in multi-component mixtures of unknown composition is extremely challenging. Current spectrometric and chromatographic methods cannot unambiguously identify components while the state of the art spectroscopic methods are limited by the difficult and time-consuming task of spectral assignment. Here, we introduce a highly sensitive generalized version of microwave three-wave mixing that uses broad-spectrum fields to detect chiral molecules in enantiomeric excess without any prior chemical knowledge of the sample. This method does not require spectral assignment as a necessary step to extract information out of a spectrum. We demonstrate our method by recording three-wave mixing spectra of multi-component samples that provide direct evidence of enantiomeric excess. Our method opens up new capabilities in ultrasensitive phase-coherent spectroscopic detection that can be applied for chiral detection in real-life mixtures, raw products of chemical reactions and difficult to assign novel exotic species.