A Versatile Method for Uniform Dispersion of Nanocarbons in Metal Matrix Based on Electrostatic Interactions

Realizing the uniform dispersion of nanocarbons such as carbon nanotube and graphene in metals, is an essential prerequisite to fully exhibit their enhancement effect in mechanical, thermal, and electrical properties of metal matrix composites(MMCs). In this work, we propose an effective method to achieve uniform distribution of nanocarbons in various metal flakes through a slurry-based method. It relies on the electrostatic interactions between the negatively charged nanocarbons and the positively charged metal flakes when mixed in slurry. For case study, flake metal powders(Al, Mg, Ti,Fe, and Cu) were positively charged in aqueous suspension by spontaneous ionization or cationic surface modification. While nanocarbons, given examples as carboxylic multi-walled carbon nanotubes, pristine single-walled carbon nanotube, and carbon nanotube–graphene oxide hybrid were negatively charged by the ionization of oxygen-containing functional groups or anionic surfactant. It was found that through the electrostatic interaction mechanism, all kinds of nanocarbons can be spontaneously and efficiently adsorbed onto the surface of various metal flakes. The development of such a versatile method would provide us great opportunities to fabricate advanced MMCs with appealing properties.

INTERACTION MODELS FOR EFFECTIVE THERMAL AND ELECTRIC CONDUCTIVITIES OF CARBON NANOTUBE COMPOSITES

The present article provides supplementary information of previous works of analytic models for predicting conductivity enhancements of carbon nanotube composites. The models, though fairly simple, are able to take account of the effects of conductivity anisotropy, nonstraightness, and aspect ratio of the CNT additives on the conductivity enhancement of the composite and to give predictions agreeing well with existing experimental data. The omitted detailed derivation of this model is demonstrated in the present article with a more systematical analysis, which may help with further development in this direction. Furthermore, the effects of various orientation distributions of CNTs are reported here for the first time. The information may be useful in design or fabrication technology of CNT composites for better or specified conductivities.

Torsional Characteristics of Single Walled Carbon Nanotube with Water Interactions by Using Molecular Dynamics Simulation

The torsional characteristics of single walled carbon nanotube(SWCNT) with water interactions are studied in this work using molecular dynamics simulation method. The torsional properties of carbon nanotubes(CNTs) in a hydrodynamic environment such as water are critical for its key role in determining the lifetime and stability of CNT based nano-fluidic devices. The effect of chirality, defects and the density of water encapsulation is studied by subjecting the SWCNT to torsion. The findings show that the torsional strength of SWCNT decreases due to interaction of water molecules and presence of defects in the SWCNT. Additionally,for the case of water molecules encapsulated inside SWCNT, the torsional response depends on the density of packing of water molecules. Our findings and conclusions obtained from this paper is expected to further compliment the potential applications of CNTs as promising candidates for applications in nano-biological and nano-fluidic devices.

Study on the Interaction between Rare Earth and Carbon in High Carbon Steel

A certain quantity of RE is dissolved in high-carbon steel. The dissolved RE not only segregates on grain boundary, but also exists in grains. It exists in cementite much more than in ferrite. RE makes the carbides spheroidal and fine, and the carbides distribute uniformly. RE also changes the morphology of pearlite. By means of the analysis of Auger energy spectrum, we find that RE, which is dissolved in cementite, changes the composition and structure of cementite. In the case of higher content of RE and carbon, RE carbide can be formed.

Simulation of the interaction of methane,carbon dioxide and coal

Gas adsorption has an important influence on gas flow in a coal body.Research on the characteristics of coal and gas adsorption is the theoretical basis for studying gas flow in coal.In this paper,the interaction between methane,carbon dioxide and surface molecules of anthracite was simulated using the quantum chemistry method.Adsorption energy and adsorption configurations of different quantities of gas molecules absorbed on the coal surface were calculated.The results show that adsorption between coal and the two kinds of gas molecules is a physical adsorption process and there is an optimal configuration.Gas molecules are more easily adsorbed in the hydroxyl-containing side chain,while it is difficult for them to be adsorbed at the position of the benzene ring.Besides,carbon dioxide molecules are more readily adsorbed on the coal surface than methane molecules.The findings have an important significance in revealing the nature of gas adsorption in coal.

Electricity-Carbon Interactive Optimal Dispatch of Multi-Virtual Power Plant Considering Integrated Demand Response

As new power systems and dual carbon policies develop,virtual power plant cluster(VPPC)provides another reliable way to promote the efficient utilization of energy and solve environmental pollution problems.To solve the coordinated optimal operation and low-carbon economic operation problem in multi-virtual power plant,a multi-virtual power plant(VPP)electricity-carbon interaction optimal scheduling model considering integrated demand response(IDR)is proposed.Firstly,a multi-VPP electricity-carbon interaction framework is established.The interaction of electric energy and carbon quotas can realize energy complementarity,reduce energy waste and promote low-carbon operation.Secondly,in order to coordinate the multiple types of energy and load in VPPC to further achieve low-carbon operation,the IDR mechanism based on the user comprehensive satisfaction(UCS)of electricity,heat as well as hydrogen is designed,which can effectively maintain the UCS in the cluster within a relatively high range.Finally,the unit output scheme is formulated to minimize the total cost of VPPC and the model is solved using theCPLEX solver.The simulation results showthat the proposed method effectively promotes the coordinated operation among multi-VPP,increases the consumption rate of renewable energy sources and the economics of VPPC and reduces carbon emissions.

Dissolution and Deformation Characteristics of Limestones Containing Different Calcite and Dolomite Content Induced by CO_(2)-Water-Rock Interaction

To investigate the impacts of mineral composition on physical and mechanical properties of carbonate rocks,limestone specimens containing different contents in calcite and dolomite are selected to perform CO_(2)-water-rock reaction experiments.The X-ray Diffraction(XRD) and Nuclear Magnetic Resonance(NMR) are carried out to examine the change characteristics of mineral dissolution and pore structure after reaction.The core flooding experiments with Fiber Bragg gratings are implemented to examine the stress sensitivity of carbonate rocks.The results show that the limestones containing pure calcite are more susceptible to acid dissolution compared to limestone containing impure dolomite.The calcite content in pure limestone decreases as the reaction undergoes.The dissolution of dolomite leads to the formation of calcite in impure limestone.Calcite dissolution leads to the formation of macropore and flow channels in pure limestone,while the effects of impure dolomite in impure limestone results in mesopore formation.When confining pressure is lower than 12 MPa,pure limestones demonstrate higher strain sensitivity coefficients compared to impure limestone containing dolomite after reaction.When confining pressure exceeds 12 MPa,the strain sensitivity coefficients of both pure and impure limestones become almost equal.

A Continuum Shell Model Including van derWaals Interaction for Free Vibrations of Double-Walled Carbon Nanotubes

This paper proposes the free vibration analysis of Double-Walled Carbon NanoTubes(DWCNTs).A continuum elastic three-dimensional shell model is used for natural frequency investigation of simply supported DWCNTs.The 3D shell method is compared with beam analyses to show the applicability limits of 1D beam models.The effect of van der Waals interaction between the two cylinders is shown for different Carbon NanoTube(CNT)lengths and vibration modes.Results give the van der Waals interaction effect in terms of frequency values.In order to apply the 3D shell continuum model,DWCNTs are defined as two concentric isotropic cylinders(with an equivalent thickness and Young modulus)which can be linked by means of the interlaminar continuity conditions or by means of an infinitesimal fictitious layer which represents the van der Waals interaction.

Chemical interaction motivated structure design of layered metal carbonate hydroxide/MXene composites for fast and durable lithium ion storage

Rational architecture design has turned out to be an effective strategy in improving the electrochemical performance of electrode materials for batteries.However,an elaborate structure that could simultaneously endow active materials with promoted reaction reversibility,accelerated kinetic and restricted volume change still remains a huge challenge.Herein,a novel chemical interaction motivated structure design strategy has been proposed,and a chemically bonded Co(CO_(3))_(0.5)OH·0.11 H_(2)O@MXene(CoCH@MXene)layered-composite was fabricated for the first time.In such a composite,the chemical interaction between Co^(2+)and MXene drives the growth of smaller-sized CoCH crystals and the subsequent formation of interwoven CoCH wires sandwiched in-between MXene nanosheets.This unique layered structure not only encourages charge transfer for faster reaction dynamics,but buffers the volume change of CoCH during lithiation-delithiation process,owing to the confined crystal growth between conductive MXene layers with the help of chemical bonding.Besides,the sandwiched interwoven CoCH wires also prevent the stacking of MXene layers,further conducive to the electrochemical performance of the composite.As a result,the as-prepared CoCH@MXene anode demonstrates a high reversible capacity(903.1 mAh g^(-1)at 100 mA g^(-1))and excellent cycling stability(maintains 733.6 mAh g^(-1)at1000 mA g^(-1)after 500 cycles)for lithium ion batteries.This work highlights a novel concept of layerby-layer chemical interaction motivated architecture design for futuristic high performance electrode materials in energy storage systems.

Tuning interface mechanism of FeCo alloy embedded N,S-codoped carbon substrate for rechargeable Zn-air battery

The interface mechanism between catalyst and carbon substrate has been the focus of research.In this paper,the FeCo alloy embedded N,S co-doped carbon substrate bifunctional catalyst(FeCo/S-NC)is obtained by a simple one-step pyrolysis strategy.The experimental results and density functional theory(DFT)calculation show that the formation of FeCo alloy is conducive to promoting electron transfer,and the introduction of S atom can enhance the interaction between FeCo alloy and carbon substrate,thus inhibiting the migration and agglomeration of particles on the surface of carbon material.The FeCo/SNC catalysts show outstanding performance for oxygen reduction reaction(ORR)and oxygen evolution reaction(OER).FeCo/S-NC shows a high half-wave potential(E_(1/2)=0.8823 V)for ORR and a low overpotential at 10 mA cm^(-2)(E_(j=10)=299 mV)for OER.In addition,compared with Pt/C+RuO_(2) assembled Zn-air battery(ZAB),the FeCo/S-NC assembled ZAB exhibits a larger power density(198.8 mW cm^(-2)),a higher specific capacity(786.1 mA h g_(zn)~(-1)),and ultra-stable cycle performance.These results confirm that the optimized composition and the interfacial interaction between catalyst and carbon substrate synergistically enhance the electrochemical performance.

A review of in situ carbon mineralization in basalt

Global warming has greatly threatened the human living environment and carbon capture and storage(CCS)technology is recognized as a promising way to reduce carbon emissions.Mineral storage is considered a reliable option for long-term carbon storage.Basalt rich in alkaline earth elements facilitates rapid and permanent CO_(2) fixation as carbonates.However,the complex CO_(2)-fluid-basalt interaction poses challenges for assessing carbon storage potential.Under different reaction conditions,the carbonation products and carbonation rates vary.Carbon mineralization reactions also induce petrophysical and mechanical responses,which have potential risks for the long-term injectivity and the carbon storage safety in basalt reservoirs.In this paper,recent advances in carbon mineralization storage in basalt based on laboratory research are comprehensively reviewed.The assessment methods for carbon storage potential are introduced and the carbon trapping mechanisms are investigated with the identification of the controlling factors.Changes in pore structure,permeability and mechanical properties in both static reactions and reactive percolation experiments are also discussed.This study could provide insight into challenges as well as perspectives for future research.

Orbital Interaction of Epoxidation on the Same Curvature Bonds of Single-walled Carbon Nanotubes

The epoxidation of different bonds with the same bond curvature in one nanotube including armchair, zigzag and chiral tubes was studied. The calculated results showed that for the adducts with opened C-O--C configuration, the magnitude of the binding energies was related with their corresponding bonding characteristics in HOMO, and the larger binding energies were attributed to stronger orbital interaction between one O atom and the nanotube; whereas for the adducts with 3MR structures, the binding energies were related with the changes of C-C bond length and independent of the frontier orbital interaction before and after epoxidation.

Unveiling chain–chain interactions in CO2-based crystalline stereocomplexed polycarbonates by solid-state NMR spectroscopy and DFT calculations

CO2-based stereocomplexed polycarbonates derived from the intermolecularly interlocked interaction between the enantiopure polymers with the opposite configuration exhibit high crystallinity, excellent thermal and mechanical stabilities. Deep insights into the mechanism of stereocomplexation are of particular importance to the design and manufacture of new promising and sustainable polycarbonates with enhanced physicochemical properties. Our solid-state NMR experiments linking with DFT computations clearly reveal the specific chain-chain interactions in a typical stereocomplexed poly（4,4-dimethyl-3,5,8-trioxabicyclo[5.1.0] octane carbonate）（PCXC）.13C CP/MAS NMR,1H DUMBO MAS NMR and 13C/1H relaxation-time measurements indicate that the formation of stereocomplex reduces the local mobilities of carbonyl, methine and methylene groups in each chain of PCXC significantly. Through a combination of two-dimensional 1H-13C HETCOR NMR and DFT calculation analysis, the cis-/trans-conformations and packing models of PCXC chains in the amorphous, enantionpure isotactic and stereocomplexed polycarbonates are identified. The splitting of 13C and 1H NMR chemical shifts of methine groups in the backbone carbon region demonstrates the ordered interlock interactions between the R-and S-chain in the stereocomplexed PCXC.

An Experimental Study of the Effect of Rock/Fluid Interaction on Resistivity Logs during CO₂Sequestration in Carbonate Rocks

Accurate laboratory measurements and analysis of electrical properties of core samples are a prerequisite step to the evaluation of oil and gas reserves. In recent times, this evaluation technique has been adopted in carbon dioxide sequestration projects for estimating and monitoring carbon dioxide (CO2) accumulation in saline aquifers. Several papers have reported laboratory success in the use of resistivity measurements to monitor the flow and also estimate the volume of CO2 plume in geological formations. Such laboratory experiments did not capture the effect of CO2 -brine-rock interaction (CBRI) on saturation estimation. The possibility of a change in value resistivity due to CO2/brine/rock interactions, and the possible effect on CO2 monitoring and estimation are of immediate interest here. Preliminary results of an ongoing research work showed that a much longer experiment time accommodates CO2-brine-rock interaction which ultimately lead to change in rock resistivity. We hereby present the electrical behavior of carbonates to CO2/ brine/rock interaction during prolonged CO2 sequestration and the effect on saturation estimation. This electrical behavior and its possible effect on CO2 monitoring and estimation are discussed.

Interaction of Carbon Dioxide Enrichment and Soil Moisture on Photosynthesis, Transpiration, and Water Use Efficiency of Soybean

Soybean (Glycine max (L.) Merrill) is one of the most important oil and protein sources in the world. Interactive effect of elevated carbon dioxide (CO2) and soil water availability potentially impact future food security of the world under climate change. A rhizotron growth chamber experiment was conducted to study soil moisture interactions with elevated CO2 on gaseous exchange parameters of soybean under two CO2 concentrations (380 and 800 μmol·mol-1) with three soil moisture levels. Elevated CO2 decreased photosynthetic rate (11.1% and 10.8%), stomatal conductance (40.5% and 36.0%), intercellular CO2 concentration (16.68% and 12.28%), relative intercellular CO2 concentration (17.4% and 11.2%), and transpiration rate (43.6% and 39%) at 42 and 47 DAP. This down-regulation of photosynthesis was probably caused by low leaf nitrogen content and decrease in uptake of nutrients due to decrease in stomatal conductance and transpiration rate. Water use efficiency (WUE) increased under elevated CO2 because increase in total dry weight of plant was greater than that of water use under high CO2 conditions. Plants under normal and high soil moisture levels had significantly higher photosynthetic rate (7% to 16%) favored by optimum soil moisture content and high specific water content of soybean plants. Total dry matter production was significantly high when plants grown under elevated CO2 with normal (74.3% to 137.3%) soil moisture level. Photosynthetic rate was significantly and positively correlated with leaf conductance and intercellular CO2 concentration but WUE was significantly negatively correlated with leaf conductance, intercellular CO2 concentration and transpiration rate. However, the effect of high CO2 on plants depends on availability of nutrients and soil moisture for positive feedback from CO2 enrichment.

Quantum-Chemical Estimating Interaction of <i>sp²</i>-Carbon Nanoclusters with PE and PP Oligomers

The purpose of this work was to examine the interaction of graphene-like nanoclusters with fragments of polymers of the same nature, but somewhat different structure, for example, polyethylene (PE) and polypropylene (PP) by means of quantum chemistry. By method of density functional theory with the exchange-correlation functional B3LYP, the basis set 6 - 31 G (d, p) and the Grimme’s dispersion correction, the energy values have been calculated of interaction between nanocarbon fragments and oligomers of PE and PP, the most probable structures of their intermolecular complexes being optimized. A graphene-like plane of 40 carbon atoms and 16 atoms of hydrogen was chosen as a model for the surface of the graphene and carbon nanotubes (CNT). In order to take into account the dimensional effect of the surface of the nanotube fragment model on the interaction energy, in addition to the above described, two larger models were used, with the general formula C54H18 and C96N24. It has been found that the interaction energy of nanocarbon fragment with an oligomer of PP is greater, compared with PE, which is consistent with the experimental data on melting temperatures of pure polymers and nanotube-polymer composites. The polymer with a surface of nanocarbon fragment forms an intermolecular complex not bound covalently and retained by intermolecular dispersion forces. Oligomers of polymeric matters and carbon surfaces in formed nanocomplex are placed closer to each other than separate polymeric links between them.

On the van der Waals interaction of carbon nanotubes as electromechanical nanothermometers

Electromechanical carbon nanothermometers are devices that work based on the interactions and relative mo- tions of double-walled carbon nanotubes （DWCNTs）. In this paper, the mechanics of carbon nanotubes （CNTs） con- stituting two welt-known configurations for nanothermome- ter, namely shuttle configuration and telescope configuration are fully investigated. Lennard-Jones （LJ） potential func- tion along with the continuum approximation is employed to investigate van der Waals （vdW） interactions between the in- teracting entities. Accordingly, semi-analytical expressions in terms of single integrals are obtained for vdW interactions. Acceptance condition and suction energy are studied for the shuttle configuration. In addition, a universal potential en- ergy is presented for the shuttle configuration consisting of two finite CNTs. Also, for the telescope configuration, ex- tensive studies are performed on the distributions of potential energy and interaction force for various radii and lengths of CNTs. It is found that these geometrical parameters have a considerable effect on the potential energy.

Noble Interactions between Ar and Carbons

Noble interactions between Ar and carbons are observed for carbons, such as carbon nanotubes and carbon blacks by means of mass-analyzed thermal desorption. The absorption states exist at around 300 K as well as at around 100 K. X-ray photoelectron spectroscopy reveals that Ar2p shows the chemical shifts. These results suggest that Ar is in charge and it is in valence state, or gives the evidence of the chemical interaction.

In vitro study of lovastatin interactions with amiodarone and with carbon tetrachloride in isolated rat hepatocytes

AIM: To investigate the interactions at a metabolic level between lovastatin, amiodarone and carbon tetrachloride in isolated rat hepatocytes. METHODS: For cell isolation two-step collagenase liver perfusion was performed. Lovastatin was administered alone in increasing concentrations (1μmol/L, 3μmol/L, 5μmol/L and 10μmol/L) and in combination with CCl4 (86μmol/L). The cells were also pretreated with 14μmol/L amiodarone and then the other two compounds were added. RESULTS: Lovastatin promoted concentration-dependent significant toxicity estimated by decrease in cell viability and GSH level by 45% and 84%, respectively. LDHactivity increased by 114% and TBARS content by 90%. CCl4 induced the expected severe damage on the examined parameters. CCU induced toxicity was attenuated after lovastatin pretreatment, which was expressed in less increased values of LDH activity and TBARS levels, as well as in less decreased cell viability and GSH concentrations. However, the pretreatment of hepatocytes with amiodarone abolished the protective effect of lovastatin. CONCLUSION: We suggest that the observed cytopro-tective effect was due to interactions between lovastatin, CCl4 and amiodarone at a metabolic level.

EFFECT OF TRACE ELEMENTS WITH ZERO SELF－INTERACTIONCOEFFICIENT ON CRYSTALLIZATION TEMPERATUREOF IRON CARBON ALLOYS

The effect of trace elements with zero self-interaction coefficient on crystallization temperature of iron carbon alloys was studied and the mathematic equation was developed based on thermodynamics in the present researeh. With the equation developed in this paper, the effects of nitrogen on crystallization temperature of Fe-3.45C-2.15Si0. 16Mn and Fe-3.45C-2. 15Si-0. 80Mn alloys were discussed.