Electrostatic Interaction Forces Research Articles

Boosting Zn2+ intercalation in manganese oxides for aqueous zinc ion batteries via delocalizing the d-electrons spin states of Mn site

Rechargeable aqueous zinc-ion batteries (AZIBs) have received increasing attention on account of their eco-friendliness and low cost. However, the limited capacity and poor rate properties of cathodes remain a major challenge due to the low electrochemical reactivity of cathode materials and sluggish Zn2+ transport kinetics. Herein, we design a 1,5-naphthalenediamine (NAPD) pre-intercalate potassium manganese dioxide (KMO-NAPD) with high capacity and rate capability for AZIBs. The introduction of NAPD can delocalize the d-electrons spin states of the Mn site and activate the reactivity of KMO-NAPD for Zn2+ intercalation. Moreover, the interaction between intercalated Zn2+ and KMO-NAPD is weakened due to the decreased electrostatic interaction force, which promotes the diffusion of Zn2+. Consequently, the KMO-NAPD cathode exhibits high specific capacity (237 mAh g−1 at 1 A g−1) satisfying rate capability (129 mAh g−1 at 4 A g−1), and excellent cycling stability (85 % capacity retention after 1000 cycles). Furthermore, the fabricated AZIBs based on the KMO-NAPD exhibit a high energy density of 294.3 Wh kg−1 and a peak power density of 8.6 kW kg−1. This study opens up a new path for the development of high-energy organic-inorganic hybrid cathode materials with modulated electronic structures for advanced AZIBs.

THE DEPENDENCE OF ACID-BASE EQUILBRIA AND ACIDITY CONSTANTS OF CONGO RED IN BUFFER SOLUTIONS ON THE IONIC STRENGTH

In this study, the spectrophotometric studies of aqueous ethanol solution of Congo red in various buffers solutions at room temperature 25oC and at different ionic strength of 0.05, 0.1, 0.3, and 0.5 KCl mol L-1 were investigated. The acidity constants of Congo red were estimated by three different methods. The two protonation stages were observed in pH range 2 - 4 and 4 - 6 as result as protonation of amino group and azo groups. The dependence of absorption spectra of Congo red on the ionic strength of solutions which exhibited blue shift with increases ionic strength in addition the shape and intensity were varied. Therefore, the acid-base equilibria shifted toward the higher pHs with the rise in ionic strength. Also, the acidity constants were affected by the ionic strength which the acidity constants decrease with increasing ionic strength of solution because the electrostatic interaction force increased.

Functional metal-organic framework membranes with uniform unsaturated pyridine-nitrogen sites as separators for high-performance lithium metal batteries

Lithium metal batteries are a promising successor to lithium-ion batteries due to high specific capacity, low density, and low electrochemical reduction potential. However, inhomogeneous lithium deposition on the Li surface will result in the formation of lithium dendrites and eventually puncture the separator and cause a short circuit. Herein, a functional metal-organic framework membrane with uniform unsaturated pyridine-nitrogen sites is synthesized via coating UiO-67-BPY (2,2 -bipyridine- 5,5 -dicarboxylic acid, named as BPY) on a commercial polypropylene (PP) separator. By replacing the benzene ring with a pyridine ring, the functionalization and porosity of MOF is fully utilized while maintaining the excellent porosity and pore size of MOF. The Li-ion transference number (tLi+) with the functional separator is 0.69 and the ionic conductivity is improved by order of magnitude compared to a plain PP separator. The N atom of the pyridine ring on the UiO-67-BPY has a strong electrostatic interaction force, and a weak coordination bond (N–Li bonding lattice) is formed between N and Li, which leads to an increase in the concentration of free lithium ions and makes their distribution more uniform. This allows lithium ions to migrate more smoothly, which is conducive to ionic conductivity and hinders dendrite formation.

Taste Mechanism of Umami Molecules from Fermented Broad Bean Paste Based on In Silico Analysis and Peptidomics.

In this study, in silico analysis and peptidomics were performed to examine the generation mechanism of the umami taste of fermented broad bean paste (FBBP). Based on the information from peptidomics, a total of 470 free peptides were identified from FBBP, most of which were increased after fermentation. Additionally, the increase of the content of umami peptides, organic acids, and amino acids during fermentation contributed to the perception of umami taste in FBBP. Molecule docking results inferred that these umami molecules were easy to connect with Ser, Glu, His, and Gln in the T1R3 subunit through hydrogen bonds and electrostatic interaction force. The binding sites His145, Gln389, and Glu301 particularly contributed to the formation of the ligand-receptor complexes. The aromatic interaction, hydrogen bond, hydrophilicity, and solvent-accessible surface (SAS) played key roles in the receptor-peptide interaction. Sensory evaluation and electronic tongue results showed that EDEDE, DLSESV, SNGDDE, DETL, CDLSD, and TDEE screened from FBBP had umami characteristics and umami-enhancing effects (umami threshold values ranging from 0.131 to 0.394 mmol/L). This work provides new insight into the rapid and efficient screening of novel umami peptides and a deeper understanding of the taste mechanisms of umami molecules from FBBP.

Physicochemical assessment of ammonium adsorption using a palm shell-based adsorbent activated with acetic acid: experimental and theoretical studies.

The adsorption of ammonium from water was studied on an activated carbon obtained using raw oil palm shell and activated with acetic acid. The performance of this adsorbent was tested at different operating conditions including the solution pH, adsorbent dosage, and initial ammonium concentration. Kinetic and equilibrium studies were carried out, and their results were analyzed with different models. For the adsorption kinetics, the pseudo-first order equation was the best model to correlate this system. Calculated adsorption rate constants ranged from 0.071 to 0.074 g/mg min. The ammonium removal was 70-80% at pH 6-8, and it was significantly affected by electrostatic interaction forces. Ammonium removal (%) increased with the adsorbent dosage, and neutral pH condition favored the adsorption of this pollutant. The best ammonium adsorption conditions were identified with a response surface methodology model where the maximum removal was 91.49% with 2.27 g/L of adsorbent at pH 8.11 for an initial ammonium concentration of 36.90 mg/L. The application of a physical monolayer model developed by statistical physics theory indicated that the removal mechanism of ammonium was multi-ionic and involved physical interactions with adsorption energy of 29 kJ/mol. This activated carbon treated with acetic acid is promising to depollute aqueous solutions containing ammonium.

Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl6] under high pressure.

The compression behavior of [Rb(18-crown-6)][SbCl6] crystal under pressure up to 2.16 (3) GPa was investigated in a diamond anvil cell (DAC) using a mixture of pentane-isopentane (1:4) as the pressure-transmitting fluid. The compound crystallizes in trigonal space group R3 and no phase transition was observed in the indicated pressure range. The low value of pressure bulk modulus [9.1 (5) GPa] found in this crystal is a characteristic of soft materials with predominant dispersive and electrostatic interaction forces. The nonlinear relationship between unit-cell parameters under high pressure is attributed to the influence of reduced intermolecular H...Cl contacts under pressure over 0.73 GPa. It also explains the high compression efficiency of [Rb(18-crown-6)][SbCl6] crystals at relatively low pressures, resulting in a significant shift of the Rb atom to the center of the crown ether cavity. At pressures above 0.9 GPa, steric repulsion forces begin to play a remarkable role, since an increasing number of interatomic H...Cl and H...H contacts become shorter than the sum of their van der Waals (vdW) radii. Below 0.9 GPa, both unit-cell parameter dependences (P-a and P-c) exhibit hysteresis upon pressure release, demonstrating their influence on the disordered model of Rb atoms. The void reduction under pressure also demonstrates two linear sections with the inflection point at 0.9 GPa. Compression of the crystal is accompanied by a significant decrease in the volume of the voids, leading to the rapid approach of Rb atoms to the center of the crown ether cavity. For the Rb atom to penetrate into the center of the crown ether cavity in [Rb(18-crown-6)][SbCl6], it is necessary to apply a pressure of about 2.5 GPa to disrupt the balance of atomic forces in the crystal. This sample serves as a compression model demonstrating the influence of both attractive and repulsive forces on the change in unit-cell parameters under pressure.

Amidation-Reaction Strategy Constructs Versatile Mixed Matrix Composite Membranes towards Efficient Volatile Organic Compounds Adsorption and CO2 Separation.

Mixed matrix composite membranes (MMCMs) have shown advantages in reducing VOCs and CO2 emissions. Suitable composite layer, substrate, and good compatibility between the filler and the matrix in the composite layer are critical issues in designing MMCMs. This work develops a high-performance UiO-66-NA@PDMS/MCE for VOCs adsorption and CO2 permea-selectivity, based on a simple and facile fabrication of composite layer using amidation-reaction approach on the substrate. The composite layer shows a continuous morphological appearance without interface voids. This outstanding compatibility interaction between UiO-66-NH2 and PDMS is confirmed by molecular simulations. The Si─O functional group and UiO-66-NH2 in the layer leads to improved VOCs adsorption via active sites, skeleton interaction, electrostatic interaction, and van der Waals force. The layer and ─CONH─ also facilitate CO2 transport. The MMCMs show strong four VOCs adsorption and high CO2 permeance of 276.5 GPU with a selectivity of 36.2. The existence of VOCs in UiO-66-NA@PDMS/MCE increases the polarity and fine-tunes the pore size of UiO-66-NH2 , improving the affinity towards CO2 and thus promoting the permea-selectivity for CO2 , which is further verified by GCMC and EMD methods. This work is expected to offer a facile composite layer manufacturing method for MMCMs with high VOC adsorption and CO2 permea-selectivity.

The Reverse of Electrostatic Interaction Force for Ultrahigh‐Energy Al‐Ion batteries

AbstractThe two‐dimensional (2D) MXenes with sufficient interlayer spacing are promising cathode materials for aluminum‐ion batteries (AIBs), yet the electrostatic repulsion effect between the surface negative charges and the active anions (AlCl4−) hinders the intercalation of AlCl4− and is usually ignored. Here, we propose a charge regulation strategy for MXene cathodes to overcome this challenge. By doping N and Co, the zeta potential is gradually transformed from negative (Ti3C2Tx) to near‐neutral (Ti3CNTx), and finally positive (Ti3CNTx@Co). Therefore, the electrostatic repulsion force can be greatly weakened between Ti3CNTx and AlCl4−, or even formed a strong electrostatic attraction between Ti3CNTx@Co and AlCl4−, which can not only accommodate more AlCl4− ions in the Ti3CNTx@Co interlayers to increase the capacity, but also solve the stacking and expansion problems. As a result, the optimized Al‐MXene battery exhibits an ultrahigh capacity of up to 240 mAh g−1 (2–4 times the capacity of graphite cathode, 60–120 mAh g−1) and a potential ultrahigh energy density (432 Wh kg−1, 2–4 times the value of graphite, 110–220 Wh kg−1) based on the mass of cathode materials, comparable to LiFePO4‐based lithium‐ion batteries (350–450 Wh kg−1, based on the mass of LiFePO4).

The Reverse of Electrostatic Interaction Force for Ultrahigh-Energy Al-Ion batteries.

The two-dimensional (2D) MXenes with sufficient interlayer spacing are promising cathode materials for aluminum-ion batteries (AIBs), yet the electrostatic repulsion effect between the surface negative charges and the active anions (AlCl4 - ) hinders the intercalation of AlCl4 - and is usually ignored. Here, we propose a charge regulation strategy for MXene cathodes to overcome this challenge. By doping N and Co, the zeta potential is gradually transformed from negative (Ti3 C2 Tx ) to near-neutral (Ti3 CNTx ), and finally positive (Ti3 CNTx @Co). Therefore, the electrostatic repulsion force can be greatly weakened between Ti3 CNTx and AlCl4 - , or even formed a strong electrostatic attraction between Ti3 CNTx @Co and AlCl4 - , which can not only accommodate more AlCl4 - ions in the Ti3 CNTx @Co interlayers to increase the capacity, but also solve the stacking and expansion problems. As a result, the optimized Al-MXene battery exhibits an ultrahigh capacity of up to 240 mAh g-1 (2-4 times the capacity of graphite cathode, 60-120 mAh g-1 ) and a potential ultrahigh energy density (432 Wh kg-1 , 2-4 times the value of graphite, 110-220 Wh kg-1 ) based on the mass of cathode materials, comparable to LiFePO4 -based lithium-ion batteries (350-450 Wh kg-1 , based on the mass of LiFePO4 ).

Study on the Digestive Behavior of Chlorogenic Acid in Biomimetic Dietary Fiber and the Antioxidative Synergistic Effect of Polysaccharides and Chlorogenic Acid.

Chlorogenic acid (CA) is often combined with dietary fiber polysaccharides in plant foods, which may affect its digestive behavior and antioxidant activity. This study constructed a biomimetic dietary fiber (BDF) model by combining bacterial cellulose (BC) and pectin with CA and investigated the digestive behavior of CA in BDF. Additionally, the study examined the interaction and synergistic effects of polysaccharides and CA against oxidation. Results showed that BDF and natural dietary fiber had similar microstructures, group properties, and crystallization properties, and polysaccharides in BDF were bound to CA. After simulated gastrointestinal digestion, 41.03% of the CA existed in a conjugated form, and it was possibly influenced by the interaction between polysaccharides and CA. And the release of CA during simulated digestion potentially involved four mechanisms, including the disintegration of polysaccharide-CA complex, the dissolution of pectin, escape from BC-pectin (BCP) network structure, and diffusion release. And polysaccharides and CA may be combined through noncovalent interactions such as hydrogen bonding, van der Waals force, or electrostatic interaction force. Meanwhile, polysaccharides-CA combination had a synergistic antioxidant effect by the results of free-radical scavenging experiments, it was probably related to the interaction between polysaccharides and CA. The completion of this work has a positive significance for the development of dietary intervention strategies for oxidative damage.

Adsorption Behavior of Microplastics as a Carrier of Various Contaminants and Their Ecotoxicity in Aquatic Environment

Objectives : Microplastics are released into the aquatic environment through multiple pathways including runoff, atmospheric sedimentation, aquaculture, and fishing and pose a hazard to organisms. Public concerns regarding microplastics are raising as microplastic pollution increases. A lot of studies have been evaluated the behavior of microplastics in the environment, suggesting that microplastics remain a prolonged period in the environment due to their persistence and can interact with other contaminants. Microplastics as carriers of coexisting contaminants may pose a more severe toxicity to organisms than microplastics alone. In this study, we investigated the behavior of microplastics as carriers of environmental contaminants and introduced a potential ecotoxicity of microplastics carrying other contaminants.Methods : The behavior of microplastics as carriers of contaminants were classified as adsorption mechanisms. Research literature regarding ecological risk of microplastics carrying contaminants was reviewed in papers published between October 2003 and August 2023.Results and Discussion : Adsorption of contaminants onto microplastics are mainly involved in hydrophobic interaction, electrostatic interaction, hydrogen bond, and Van der Waals forces. The co-exposure of microplastics with contaminants to organisms can induce oxidative stress and bioaccumulation and reduce the survival and reproduction rates, chlorophyll content, and photosynthetic efficiency. On the other hand, a few studies reported that the co-exposure of microplastics with contaminants can decrease the toxicity to organisms.Conclusion : This paper provides basic information regarding the adsorption interactions of microplastics with diverse contaminants and their ecological effects on organisms. The contents will help to understand a potential function of microplastics as a carrier of coexisting contaminants in aquatic environment and their biological risk.

Review on Moringa oleifera, a green adsorbent for contaminants removal: characterization, prediction, modelling and optimization using Response Surface Methodology (RSM) and Artificial Neural Network (ANN)

Moringa oleifera utilization in water treatment to eliminate emerging pollutants such as heavy metal ions, pesticides, pharmaceuticals, and pigments has been extensively evaluated. The efficacy of Moringa oleifera biosorbent has been investigated in diverse research work using various techniques, including its adsorption capacity kinetic, thermodynamic evaluation, adsorbent modifications, and mechanism behind the adsorption process. The Langmuir isotherm provided the most remarkable experimental data fit for batch adsorption investigations, whereas the best fit was obtained with the pseudo-second order kinetic model. Furthermore, only a few papers that combined batch adsorption with fixed-bed column investigations were examined. In the latter articles, the scientists modified the adsorbent to increase the material’s adsorption capacity as determined by analytical methods, including IR spectroscopy, scanning electronic microscope (SEM), and X-ray diffraction (XRD). However, the raw material can show appreciable adsorption capacity values, proving moringa’s potency as a biosorbent. Hydrogen bonds, electrostatic interaction, and van der Waals forces were the main processes in the found and reported adsorbent-adsorbate interactions. These mechanisms could change depending on the physiochemical nature of adsorption. Although frequently employed for heavy metal ions and dye adsorption, Moringa oleifera can still be explored in pesticide and medication adsorption investigations due to the few publications in this comprehensive review. This study, therefore, examined different Adsorbents from the Moringa oleifera plant, as well as parameters and models for enhancing the adsorption process.

Preparation and Properties of Polyaniline Self-Healing Conductive Materials Based on Hydrogen Bonding and Electrostatic Interaction Forces

Preparation and Properties of Polyaniline Self-Healing Conductive Materials Based on Hydrogen Bonding and Electrostatic Interaction Forces

Exploring the interactions of Ti3C2Tx, AgNPs, and Ti3C2Tx/AgNPs with human serum albumin: Insights into conformational changes and biotoxicity reduction

Ag nanoparticles (AgNPs) are toxic and can accumulate in the human body or the environment, resulting in biotoxic effects. Ti3C2Tx, a new class of graphene-like 2D nanomaterials, is used in numerous applications due to its special physicochemical properties. There is great concern about the potential damage that this material may cause to the environment and human health. In this study, the interaction mechanisms of Ti3C2Tx, AgNPs and Ti3C2Tx/AgNPs materials with human serum albumin (HSA) were characterized using multispectral analysis and zeta potential measurements, respectively. The results showed that the effects of the three materials on the conformational changes of HSA were AgNPs > Ti3C2Tx/AgNPs > Ti3C2Tx in order. Hydrogen bonding and electrostatic interaction forces played an important role in the binding process of Ti3C2Tx and its complexes with HSA. Ag nanoparticles have a comparatively high level of biotoxicity and have a more significant effect on the conformational changes of proteins. Ti3C2Tx itself has biocompatibility and a large specific surface area. The biotoxicity of Ti3C2Tx/AgNPs complex is lower than that of AgNPs, indicating that the addition of Ti3C2Tx can reduce the biotoxicity of Ag nanoparticles, and Ti3C2Tx may be used as a carrier substance for Ag nanoparticles, which can reduce the toxicity of AgNPs while giving it unique properties similar to those of Ti3C2Tx, thus improve the biosafety of Ag nanoparticles in the application process.

Biodegradation Capabilities of Paraquat-Degrading Bacteria Immobilized on Nanoceramics.

The biodegradation of paraquat was investigated using immobilized microbial cells on nanoceramics fabricated from nanoscale kaolinite. Pseudomonas putida and Bacillus subtilis, which degrade paraquat, were immobilized separately on nanoceramics (respectively called ICnc-P and ICnc-B). The attachment of bacteria to nanoceramics resulted from electrostatic force interactions, hydrogen bonding, and covalent bonding (between the cells and the support materials). The initial 10 mg L-1 concentration of paraquat in water was removed by the adsorption process using nanoceramics at 68% and ceramics at 52%, respectively. The immobilized cells on the nanoceramics were able to remove approximately 92% of the paraquat within 10 h, whereas the free cells could only remove 4%. When the paraquat was removed, the cell-immobilized nanoceramics exhibited a significant decrease in dissolved organic nitrogen (DON). ICnc-B was responsible for 34% of DON biodegradation, while ICnc-P was responsible for 22%. Ammonia was identified as the end product of ammonification resulting from paraquat mineralization.

Gravity-driven membrane coupled with oxidation technology to modify the surface properties and biofilm formation: Biofouling mitigation

Biofilms caused by biological fouling play an essential role in gravity-driven membranes’ (GDMs) flux decline and rejection rate. The effects of ozone, permanganate, and ferrate (VI) in-situ pretreatment on membrane properties and biofilm formation were systematically studied. Due to the selective retention and adsorption of algal organic matter by biofilms and oxidative degradation, the rejection efficiency of dissolved organic carbon (DOC) in algae-laden water pretreated with permanganate by GDM was up to 23.63%. Pre-oxidation extraordinarily postponed flux decline and biofilm formation of GDM and reduced membrane fouling. The total membrane resistance decreased by 87.22%–90.30% within 72 h after pre-ozonation. Permanganate was more effective than ozone and ferrate (VI) in alleviating secondary membrane fouling caused by algal cells destroyed by pre-oxidation. Extended Derjaguin-Landau-Verwey-Overbeek (XDLVO) theory revealed that the distribution of electrostatic force (EL), acid-base (AB), and Lifshitz-van der Waals forces (LW) interactions between M. aeruginosa and the released intracellular algogenic organic matter (IOM) and ceramic membrane surface was similar. The membrane and foulants are always attracted to each other by LW interaction at different separation distances. The dominant fouling mechanism of GDM combined with pre-oxidation technology shifts from complete pore blocking to cake layer filtration during operation. After pre-oxidation of algae-laden water by ozone, permanganate, and ferrate (VI), GDM can treat at least 131.8%, 37.0%, and 61.5% more feed solution before forming a complete cake layer. This study provides new insights into the biological fouling control strategies and mechanisms for GDM coupled with oxidation technology, which is expected to alleviate membrane fouling and optimize the feed liquid pretreatment procedure.

A multifunctional and sustainable poly(ionic liquid)-quaternized chitosan hydrogel with thermal-triggered reversible adhesion

A quaternized chitosan (QCS)@poly(ionic liquid) (PIL) hydrogel adhesive was prepared by in-situ ultraviolet (UV)-induced copolymerization of 1-vinyl-3-butyl imidazolium bromide ([BVIm][Br]) and methacryloyloxyethyl trimethylammonium chloride (DMC) in QCS aqueous solution without using any crosslinkers, which was stably crosslinked by reversible hydrogen bonding together with ion association and exhibited excellent adhesion, plasticity, conductivity and recyclability properties. Moreover, its thermal/pH-responsive behaviors and intermolecular interaction mechanism of thermal-triggered reversible adhesion were discovered, meanwhile good biocompatibility, antibacterial properties, repeated stickiness and degradability were also proved. The results showed that the newly developed hydrogel could make various tissues, organic, inorganic or metal materials adhered tightly within 1 min; after 10 binding-peeling cycles, the adhesive strength to glass, plastic, aluminum and porcine skin still remained beyond 96 %, 98 %, 92 % and 71 % of the original, respectively. The adhesion mechanism involves ion dipole interaction, electrostatic interaction, hydrophobic interaction, coordination, cation-π interaction, H-bonding and van der Waals force. For above merits, the new tricomponent hydrogel is expected to be applied in biomedical field to achieve adjustable adhesion and on-demand peeling.

Crystal morphology prediction of CL-20 and 1,4-DNI co-crystal at different temperatures.

The morphologies of hexanitrohexaazaisowurtzitane (CL-20) and 1,4-dinitroimidazole (1,4-DNI) co-crystal under vacuum or solvent at different temperatures were predicted. The CL-20/1,4-DNI co-crystal has six important growth crystal planes: (002), (011), (101), (11‒1), (110), (111). The areas of (002), (101), and (011) planes account for a relatively large proportion, which are important crystal planes that affect the crystal morphology. The crystal habits at different temperatures were simulated. The simulation results showed that the crystal plane attachment energy of CL-20 and 1,4-DNI co-crystal increases with the increase of temperature, indicating that the increase of temperature is conducive to the growth of crystal planes. The aspect ratio decreases with the increase of temperature and the morphology of co-crystal becomes more spherical at a higher temperature. The theoretical predictions are in good agreement with the experiment. The simulation results can provide guidance for the crystallization of CL-20/1,4-DNI to obtain a nearly spherical crystal morphology. The CL-20/1,4-DNI unit cell structure was geometrically optimized by the COMPASS force field. The AE model was used to predict the morphology of CL-20/1,4-DNI under vacuum, resulting in the most morphologically important growth planes. Ethyl acetate was selected as the solvent. The interaction energy between the solvent and the crystal plane, and the attachment energies in solvent at 298 K, 320 K, 340 K, 360 K, and 380 K were predicted. The NVT ensemble is used in the molecular dynamics calculation process. The simulation step is 1 fs and the total simulation time is 500 ps. The Andersen thermostat is selected as the temperature control method. In the potential energy calculation, the atom-based and Ewald methods were selected to calculate the van der Waals force and the electrostatic interaction force, respectively.

Colloidal interactions for a polystyrene particle and a smooth silicon surface: Atomic force microscopy, XDLVO theory, and Surface Element Integration

In this study Liftshitz van der Waals, electrostatic and acid base interaction forces of a 4 µm polystyrene particle with flat silicon surfaces were experimentally determined using interfacial interaction energy measurements and atomic force microscopy (AFM). Interfacial forces computed using analytical expressions based on the Surface Element Integration (SEI) technique were compared with the standard Derjaguin Approximation (DA) and Continuum Mechanics Adhesion approaches, namely: Derjaguin, Muller and Toporov (DMT), Johnson, Kendall and Roberts (JKR) and Maugis and Pollock (MP) theories in order to assess the effect of curvature on a sphere-plate geometry. For acid base interactions, the SEI was found to deviate from the DA at small particles radii (less than 100 nm) and over a wide ratio of decay length, λ, to particle size, R. Accounting for curvature for acid base interaction requires geometric factors that are functions of λ/R. For van der Waals force of interaction, the SEI and DA showed large variation at large ratios of interparticle separation, D, to particle radius, R. For Double layer interaction force large variation between SEI and DA was observed for small κa values, and good agreement observed at large κa values. The AFM forces of adhesion of polystyrene in 0.01 mM and 100 mM KCl electrolyte solutions were found to be 2.38 ± 2.15 nN and 9.29 ± 6.89 nN, respectively. These results were found to be consistent with the SEI technique that gave adhesion forces of 4.8 and 10.2 nN at the low and high electrolyte concentrations, respectively. These data are also aligned with Maugis and Pollock (MP) theory that accounts for elasto-plastic deformation, Pe.

Varvec{J}-, M- and varvec{L}-integrals of line charges and line forces

In this work, the varvec{J}-, M- and varvec{L}-integrals of two line charges and two line forces in generalized plane strain are derived in the framework of three-dimensional (3D) electrostatics and three-dimensional compatible linear elasticity, respectively, in order to study the interaction between them. The key point in this derivation is achieved by expressing the varvec{J}-, M- and varvec{L}-integrals of point charges and point forces in three dimensions in terms of the corresponding three-dimensional Green functions, that is, the three-dimensional Green function of the Laplace operator and the three-dimensional Green tensor of the Navier operator, respectively. The major mathematical tool used in deriving the varvec{J}-, M- and L_3-integrals of line charges and line forces from the corresponding varvec{J}-, M- and varvec{L}-integrals of point charges and point forces is the method of embedding or method of descent of Green functions to two dimensions (2D) from the corresponding Green functions in 3D. The analytical expressions of varvec{J}-, M- and L_3-integrals of line charges and line forces in antiplane and plane strain are derived and discussed. The varvec{J}-integral is the electrostatic part of the Lorentz force (electrostatic interaction force) between two line charges in electrostatics and the Cherepanov force between two line forces in elasticity. The M-integral of two line sources (charges or forces) equals half the electrostatic interaction energy in electrostatics and half the elastic interaction energy in elasticity of these two line sources, respectively. The L_3-integral of two line sources (charges or forces) is the z-component of the configurational vector moment or the rotational moment representing the total torque about the z-axis caused by the interaction of the two line sources. An important outcome is that the varvec{J}-integral is twice the negative gradient of the M-integral, leading to the result that the {varvec{J}}-integral for line charges and line forces is a conservative force (with the corresponding interaction energy playing the role of the potential energy) and consequently an irrotational vector field. Finally, the obtained varvec{J}-, M- and L_3-integrals being functions of the distance and of the angle, are able to describe the physical behaviour of the interaction of two line sources (charges and forces), since they represent the fundamental and necessary quantities, that is, the interaction force, interaction energy and total torque produced by the interaction of these two line sources.