Molecular packing tuning via chlorinated end group enables efficient binary organic solar cells over 18.5%

Designing novel nonfullerene acceptors(NFAs)is of vital importance for the development of organic solar cells(OSC).Modification on the side chain and end group are two powerful tools to construct efficient NFAs.Here,based on the high-performance L8BO,we selected 3-ethylheptyl to substitute the inner chain of 2-ethylhexyl,obtaining the backbone of BON3.Then we introduced different halogen atoms of fluorine and chlorine on 2-(3-oxo-2,3-dihydro-1Hinden-1-ylidene)malononitrile end group(EG)to construct efficient NFAs named BON3-F and BON3-Cl,respectively.Polymer donor D18 was chosen to combine with two novel NFAs to construct OSC devices.Impressively,D18:BON3-Cl-based device shows a remarkable power conversion efficiency(PCE)of 18.57%,with a high open-circuit voltage(V_(OC))of 0.907 V and an excellent fill factor(FF)of 80.44%,which is one of the highest binary PCE of devices based on D18 as the donor.However,BON3-F-based device shows a relatively lower PCE of 17.79%with a decreased FF of 79.05%.The better photovoltaic performance is mainly attributed to the red-shifted absorption,higher electron and hole mobilities,reduced charge recombination,and enhanced molecular packing in the D18:BON3-Cl films.Also,we performed stability tests on two binary systems;the D18:BON3-Cl and D18:BON3-F devices maintain 88.1%and 85.5%of their initial efficiencies after 169 h of storage at 85°C in an N2-filled glove box,respectively.Our work demonstrates the importance of selecting halogen atoms on EG and provides an efficient binary system of D18:BON3-Cl for further improvement of PCE.

Chlorinated butyl rubber/two-step modified montmorillonite nanocomposites:Mechanical and damping properties

Montmorillonite(MMT) was modified by ultrasound and castor oil quaternary ammonium salt intercalation method to prepare a new type of organic montmorillonite(OMMT). The surface structure, particle morphology, interlayer distance, and thermal behavior of the samples obtained were characterized. The modified OMMT was then added to chlorinated butyl rubber(CIIR) by mechanical blending, and a composite material with excellent damping properties was obtained. The mechanical experiment results of CIIR nanocomposites showed that the addition of OMMT improved their tensile strength, hardness,and stress relaxation rate. Compared with pure CIIR, when the content of OMMT was 5 phr(part per hundred of rubber), the tensile strength of the nanocomposite was increased by 677% and the elongation at break was also increased by 105.4%. The enhancement of this performance was mainly due to the dispersion of the nanosheets in CIIR rubber and the chemical interaction between the organoclay and the polymer matrix, which was confirmed by morphology and spectral analysis. OMMT also endowed a positive effect on the damping properties of CIIR nanocomposites. After adding 5 phr of OMMT, the nanocomposite owned the best damping performance, and the damping factor, tanδmax, was 37.9% higher than that of pure CIIR. Therefore, the good damping and mechanical properties of these CIIR nanocomposites provided some novel and promising methods for preparing high-damping rubber in a wide temperature range.

Prescreening teratogenic potential of chlorinated drinking water disinfection by-products by using Hydra regeneration assay

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TOXICITY OF CHLORINATED BENZENES TO MARINE ALGAE

Growth of Chlorella marine, Nannochloropsis oculata, Pyramidomonas sp, Platymonas subcordiformis and Phaeodactylum tricornutum exposed to monochlorobezene (MCB), 1, 2-dichlorobenzene (1, 2-DCB), 1, 2, 3, 4-tetrachlorobenzene (1, 2, 3, 4-TeCB) and pentachlorobenzene (PeCB) was tested. Tests of 72 h-EC50 values showed that the toxicity ranged in the order: MCB<1,2-DCB<1,2,3,4-TeCB<PeCB,and that toxjcity of chlorinated benzene (CB) alone to marine algae was almost in the order: Pyramidomonas sp.< Platymonas subcordiformis<Nannochloropsis oculata < Chlorella marine< Phaeodactylum tricomutum. Study of the QSAR (Quantitative Structure-Activity Relationship) between Kow and toxicity of CBs to marine algae showed good relationships between-logEC50 and logKow.

Determination of trace amounts of chlorinated insecticides and fungicides in ginseng using capillary gas chromatography and ^(63)Ni electron capture detector

A method for the simultaneous determination of a series of chlorinated insecticides and fungicides as residues in ginseng is presented in this article. Pulverized samples are subjected to Soxhlet extraction with acetone-petroleum ether and the extract is partitioned between petroleum ether and aqueous sodium sulfate solution (2:98). The combined petroleum ether phase is cleaned up by sulfuric acid and analyzed by capillary gas chromatography using 63Ni electron capture detector. Recoveries from the different concentrations for 11 kinds of chlorinated insecticides and fungicides are between 92.40 and 103.7% with coefficients of variations ranged 1.22 and 9.53% without samples, and between 89.00% and 104.10% with coefficients of variations between 1.16% and 9.16% with samples. The detection limits are 0.2- 7.0 ng/kg.

EFFECTS OF MOLECULE AGGREGATION STATE OF HINDERED PHENOL ON DYNAMIC MECHANICAL PROPERTIES OF CHLORINATED POLYETHYLENE

Hindered phenol compound 3,9-bis{1,1-dimethyl-2[β-(3-tert-butyl-4-hydroxy-5-methylphenyl)propionyloxy]ethyl}- 2,4,8,10-tetraoxaspiro[5,5]-undecane (AO-80) is a polymorphous material with different physical structures. The initial AO- 80 is highly crystalline, whereas AO-80 obtained by cooling from its molten state is an amorphous material. Annealing treatment below the melting point of AO-80 results in structural development. The mixture of chlorinated polyethylene (CPE) and vitrified AO-80 particles exhibits a dramatic change in the dynamic mechanical properties during heat treatment at 130"C. This change can be attributed to the decomposition of the vitrified AO-80 particles and the hybridization of two constituents. The vitrified AO-80 particles can crystallize again in a CPE matrix by annealing at 100"C, but this crystal is different from that of the initial AO-80 in its microstructure. In addition, the incorporation of CPE chains caused a dramatic increase in the modulus. As a result, the AO-80 crystal particles that contain some CPE chains act as multifunctional cross- links and the CPE/AO-80 hybrid was found to be a new type of elastomer.

Colorectal cancers and chlorinated water

Published reports have revealed increased risk of colorectal cancers in people exposed to chlorinated drinking water or chemical derivatives of chlorination. Oestrogen plays a dual positive functions for diminishing the possibilities of such risk by reducing the entrance, and increasing the excretion, of these chemicals. In addition, there are supplementary measures that could be employed in order to reduce this risk further, such as boiling the drinking water, revising the standard concentrations of calcium, magnesium and iron in the public drinking water and prescribing oestrogen in susceptible individuals. Hypo-methylation of genomic DNA could be used as a biological marker for screening for the potential development of colorectal cancers.

STUDY ON MUTAGENICITY OF RAW COAGULATION-SEDIMENIED AND CHLORINATED DRINKING WATER FROM CHAO LAKE

During the period of algal growth of Chao Lake.We collectedits raw,coagulation-sedimented and chlorinated water and studiedthe mutagenicity of these water samples by using four bioassaymethods.The results showed that the organic concentrate of

MECHANICAL PROPERTIES OF CHLORINATED POLYPROPYLENE——POLYPYRROLE FILM

The chlorinated polypropylene (PPC1)-polypyrrole (PPy) conducting films were successfully synthesized by a novel method for the first time. The mechanical properties of PPC1-PPy conducting films were investigated by means of stress-strain test and DMA. It was shown that the rupture strength and initial modulus increase with the increase of polypyrrole content , but the elongation at rupture decrease. Besides, the glass transition temperature (Tg) is increasing to a plateau when polypyrrole content attains 6%. Moreover, a new mechanical model to describe the mechanical properties of PPC1-PPy blend system is established by changing the correction factor in Mooney model. It was found that the theoretic value of the model is well coincident with the experimental results.

STUDY OF MODIFIED AROMATIC POLYAMIDE SYNTHESIS AND CHARACTERISTICS OF CHLORINATED PPTA

Super pure 2,5-dichloroterephthaloyl dichloride (DDC) was prepared by chlorination andcontrolled by Gas Chromatography(GC) method. As a third monomer, DDC waspolycondensated into chlorinated PPTA together with terephthaloyldichloide (TPDC) andparaphenylene diamine (PPDA). The polycondensation conditions and the relationship betweenthe thermal behavior, viscosity, solubility, phase transition temperature of the modifiedpolyamide and the third monomer content discussed in this paper.

THE STUDY ON CHLORINATED POLYPROPYLENE (PPCI)-POLYPYRROLE (PPy) COMPOSITE FILM

The chlorinated polypropylene-polypyrrole composite film was synthesized by means of a newmethod for the first time. The effects of various conditions on polymerization and the electric con-ductivity of PPCl-PPy composite film were investigated. It was found that PPCl-FeCl3 mixturehad an excellent film-forming ability and PPCl-PPy composite film could attain high conductivityat low content of polypyrrole and was stable for heat and atmosphere.

Carbonization of Chlorinated Organic Residual Liquid for Energy Source Generation

Chlorinated organic residual liquid is produced from the distillation process of new refrigerants production. It is difficult to be treated by traditional water treatment process and incineration process. In this study, a carbonization process at atmospheric pressure was used to convert this residual liquid to carbonaceous product and organic gas in 2 h at 230℃ or 260℃. The carbonaceous product was characterized by scanning electron microscope, Fourier-transform infrared spectrometer and thermo gravimetric analysis. The element composition and the high heat value of these products were similar to anthracite and lignite, respectively, showing that they could be used as alternative fuels. The components of organic gas were analyzed using gas chromatography-mass spectrometry and the gas had potential for incineration.

Cu(II) Extraction in Ionic Liquids and Chlorinated Solvents: Temperature Effect

Room temperature ionic liquids have been currently used in liquid/liquid extraction processes in order to substitute conventional organic solvents. In this paper, a series of chlorinated solvents and 1-alkyl-3-me- thylimidazolium-based ionic liquids were selected to study the extraction efficiency of a lipophilic polya- mine 1,1,7,7-tetraethyl-4-tetradecyldiethylenetriamine (TE14DT) towards the model ion Cu(II) in such dif-ferent media. The effect of temperature on the extraction efficiency was also investigated. The metal ion par-tition was found to be strongly dependent on both the nature of the solvent and on the working temperature. The viscosity of ionic liquids and the water content in ionic liquid were found to affect the extraction effi-ciency of TE14DT. The chemical nature of the cation of ionic liquids, and in particular the alkyl chain length on imidazolium ring, also seemed to be important in determining the efficiency of the extraction process. Finally, preliminary experiments on back-extraction of Cu(II) ions from ionic liquid also revealed interesting hints to the development of a continuous transport process.

Polychlorinated biphenyl congeners (PCBs) in nursing primiparous and multiparous women

Impact of PCBs was studied as a major source of physiological effects even very low concentration of PCBs transferred to the infants by mother’s milk. Milk samples were collected from primipara and multipara women. A significant variation pattern was observed in the level of PCB congeners, as PCBs are lipophilic in nature, another possibility arises that great deals of residues are passed on to infants through mother’s milk. A technique was developed to find out polychlorinated biphenyls (PCB) in breast milk. PCBs were extracted by Matrix Solid-Phase Dispersion (MSPD) and analyzed by Gas Chromatography with Electron Capture Detector. The precision (RSD < 10%, n = 125), recovery (85% to 110%) and limit of quantification (between 0.50 and 3.00 μg&middotL-1), the chi square analysis at p ≤ 0.05 has shown that the PCB level was higher in multipara as compared to primipara. The analysis of the thirty samples revealed PCB levels above 6.85 μg&middotL-1 in breast milk samples by analyses of a mixture of PCB congeners. All PCB congeners (28, 52, 101, 123 (+149), 118, 114, 153, 105, 138 (+163), 167, 156 (+171), 157, 180, 170, 189) were found at high level in primiparous and multiparous. Thus, a high correlation between the contamination of breast milk and environmental pollution of PCBs was observed.

Chlorinated hydrocarbons in animal tissue samples from the Arctic Area

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Use of Environmental Sequence Stratigraphy (ESS) as an Environmental Forensic Tool to Identify Chlorinated Solvent Sources at a Complex Site in Silicon Valley, California

This paper presents a case study for a complex contaminated groundwater site impacted by a historical release of chlorinated solvents in Silicon Valley, California. The original conceptual site model (CSM) inferred a contaminant migration pathway based on the groundwater gradient interpreted from groundwater elevation data, which is based on the underlying assumption that the subsurface conditions are homogeneous. However, the buried channel deposits render the underlying geology highly heterogeneous, and this heterogeneity plays a significant role in the subsurface migration of contaminants. Chemical fingerprinting evidence suggested that contamination at the downgradient property boundary was related to an off-site contaminant source. But, this alone was not a compelling argument. However, Environmental Sequence Stratigraphy (ESS), a geology-based environmental forensic technique, was applied to define the permeability architecture or the “plumbing” that controls subsurface fluid flow and contaminant migration. First, the geologic and depositional setting was synthesized based on regional geologic data, and representative facies models were identified for the site. Second, the existing CSM and site lithology data were reviewed and existing lithology data were graphically presented to display vertical grain-size patterns. This analysis focused on the nexus between the depositional environment and the site-specific subsurface data resulting in correlations/interpretations between and beyond data points that are based on established stratigraphic principles. The depositional environment results in buried river channels as the primary control on subsurface fluid flow, which defines hydrostratigraphic units (or HSUs). Finally, a hydrostratigraphic CSM that includes maps and cross sections was constructed to depict the HSUs present as a framework to integrate hydro-geology and chemistry data. This study demonstrates that: 1) Highly per-meable buried river channel deposits control subsurface fluid flow and contaminant transport, and have distinct chemical constituents and concentrations (i.e., they represent distinct HSUs), 2) Mapping of such HSUs is feasible with existing boring log data, 3) In settings such as the Santa Clara Valley where groundwater flow is governed by subsurface channel deposits, a hydrostratigraphic mapping approach is superior to a depth-based aquifer zonation approach, and 4) For heterogeneous subsurface, a detailed geology-based definition of the subsurface is an integral component of an environmental forensic analyses to determine contaminant source(s) and pathways.

Degradation of Polymer &Elastomer Exposed to Chlorinated Water—A Review

In water industry, the chlorine is mostly used as a disinfectant agent. The chlorine present in potable water as a disinfectant has been reported to reduce the lifetime of contact polymeric material. This occurs in polymer pipes and it is now very common in plumbing and other parts of the drinking water distribution system. For more than 50 years, Polymer & Elastomeric materials have been used ubiquitously in drinking water distribution systems. Polymer & Elastomeric materials have successfully been used in a variety of applications ranging from rubber gaskets, to valves, to hydrants, to fittings. Polymer & Elastomers that degrade more quickly than expected create service problems, make it difficult for utilities to cost efficient plan preventive maintenance programs, and negatively affect customer relations. This review paper gives an insight idea to a reader about the selection of proper polymer & elastomer and predicting its performance in chlorinated water. Also the mechanism of degradation of Polymer & elastomer in chlorine environment and some model of life expectancy of in-service of Polymer & elastomer in various conditions and parameter in chlorinated water were discussed.

Chlorinated polymer solar cells simultaneously enhanced by fullerene and non-fullerene ternary strategies

To achieve efficient polymer solar cells(PSCs)with full utilization of the whole spectrum,the multicomponent devices are of great importance to be deeply explored,especially for their capability of one-step fabrication.However,the research about one same binary system simultaneously derivated various multi-component PSC is still very limited.Herein,we achieved the whole constructions from one binary host to different ternary systems and even the quaternary one.The ternary strategies with fullerene acceptor,PC_(71)BM,and non-fullerene acceptor,BT_(6)IC-BO-4Cl,as the third component,both boosted the device efficiencies of PBT4Cl-Bz:IT-4F binary system from about 9% to comparatively beyond 11%.Despite the comparable improvement of performance,there existed other similarities and differences in two ternary strategies.In detail,the isotropic carrier transport of PC_(71)BM which largely elevated the fill factor(FF)in the corresponding devices,while the strong absorption of BT_(6)IC-BO-4Cl enhanced the short current density(J_(SC))most.More interestingly,quaternary devices based on PBT4Cl-Bz:IT-4F:PC71 BM:BT_(6)IC-BO-4Cl could combine both advantages of fullerene and non-fullerene ternary strategies,further pumped the J_(SC) from 16.44 to the highest level of 19.66 mA cm^(-2) among all devices,eventually resulted in an optimized efficiency of 11.69%.It reveals that both fullerene and non-fullerene ternary strategies have their unique feature to elevate the device performance either by efficient isotropic carrier transport or better coverage of whole sunlight spectrum and easy tunable energy levels from organic materials.The key is how to integrate the two pathways in one system and provide a more competitive solution facing high-quality PSCs.

Occurrence and fate of chlorinated methylsiloxanes in surrounding aqueous systems of Shengli oilfield, China

Mono-chlorinated products of cyclic volatile methylsiloxanes(cVMS),i.e.,Monochlormethylheptamethylcyclotetrasiloxane[D3D(CH_(2)Cl)],monochlormethylnonamethylcyclopentasiloxane[D4D(CH_(2)Cl)],and monochlormethylundemethylcyclohexasiloxane[D5D(CH_(2)Cl)],were detected in water[<LOQ(Limit of quantitation)-86.3 ng/L,df(detection frequency)=23%-38%,n=112]and sediment samples[<LOQ-504 ng/g dw(dry weight),df=33%-38%,n=112]from 16 lakes located in Shengli oilfield of China,and had apparent increasing trends(31%-34%per annum)in sediments during Year 2014-2020.Simulated experiments showed that chloro-cVMS in sediment-water system had approximately 1.7-2.0 times slower elimination rates than parent cVMS.More specifically,compared with those of parent cVMS,volatilization(86-2558 days)and hydrolysis(135-549 days)half-lives of chlorocVMS were respectively 1.3-2.0 and 1.8-2.1 times longer.In two species of freshwater mussels(n=1050)collected from six lakes,concentrations of chloro-cVMS ranged from 9.8-998 ng/g dw in Anodonta woodiana and 8.4-970 ng/g dw in Corbicula fluminea.Compared with parent cVMS,chloro-cVMS had 1.1-1.5 times larger biota-sediment accumulation factors(2.1-3.0)and 1.1-1.7 times longer half-lives(13-42 days).Their stronger persistence in sediment and bioaccumulation in freshwatermussels suggested that environmental emission,distribution and risks of chloro-cVMS deserve further attention.

Crystallography,Packing Mode,and Aggregation State of Chlorinated Isomers for Efficient Organic Solar Cells

Revealing the molecular packing,intermolecular interactions,and aggregation behaviors in the nanocrystalline bulk heterojunction(BHJ)domains undertake the tasks for future materials design for efficient solar cells,especially in understanding the structure–property relationship of isomeric non-fullerene acceptors(NFAs).Theoretical calculations reveal that 2ClIC-βδ,withβ-andδ-chlorine-substituted terminal groups,achieves a relatively higher dipole moment for enhanced intermolecular interactions.More importantly,when comparing the single-crystal X-ray diffraction patterns of three isomeric NFAs,BTIC-BO4Cl-βδ,BTIC-BO4Cl-βγ,and BTIC-BO4Cl,the synergistic effect of chlorine atoms at theβ-andδ-positions endows BTIC-BO4Cl-βδbetter molecular planarity with a dihedral angle of 1.14°.In turn,this creates the shortestπ∙∙∙πdistance(3.28Å)and smallest binding energies(−51.66 kcal mol^(−1))of the three NFAs,resulting in the tightest three-dimensional network packing structure with a framework of L_(x)=14.0Åand L_(y)=13.6Å.Such a structure has multiple intermolecular interactions for better charge transfer.However,the chlorine atomat theγ-position in the other two isomers contributes to non-intermolecular interactions with subordinate packing arrangements.Subsequently,the red-shifted UV-absorption and higher electron mobility observed in neat films of BTIC-BO4Cl-βδagree well with its more ordered crystallinity.This leads to a more suitable fiber-like phase separation in the corresponding active blend,ultimately improving the device performance with superior charge transport.As a result,the highest power conversion efficiency of 17.04%with a current density of 26.07 mA cm^(−2)was obtained with the BTIC-BO4Cl-βδ-based device.The carrier dynamics test and grazing incidence wide-angle X-ray scattering measurement indicate that the packing arrangement of molecules in the nanocrystalline BHJ domains is consistent with their crystallinity.This work investigates the structure–property differences in three acceptors and emphasizes the effect of isomeric chlorine substitution,which suggests that changes in the crystal packing arrangement,especially the size of the framework,have a considerable influence on charge carrier transport and ultimately are reflected on the device efficiency elevation.