Studies on Lattice Parameter,Molar Volume and Excess Molar Volume of Pb-based a-phase Solid Solution in Pb-Sn-Cd Ternary System

The lattice parameters a and the molar volumes Km of Pb-based a-phase solid solutions in the Pb-Sn-Cd ternary system were determined by means of X-ray diffraction. The lattice parameters a vary linearly with the molar fractions, the molar volumes show a positive deviation from the ideal solution behaviour, and the contribution of the solute Cd to the excess molar volumes V is much larger than that of the solute Sn. According to Vegard' s law orsub-regular solution model, the relationship between the experimental data of a or Vm andthe compositions of alloy is obtained by the mathematic regressive method, the prediction precisions of the both formulae are within the limits of experiment error.

Excess Molar Volume, Viscosity and Heat Capacity for the Mixture of 1,2-Propanediol-Water at Different Temperatures

Experimental densities, viscosities and heat capacities at different temperatures were presented over the entire mole fraction range for the binary mixture of 1,2-propanediol and water. Density values were used in the determination of excess molar volumes, VE. At the same time, the excess viscosity was investigated. The values of VE and E were fitted to the Redlich-Kister equation. Good agreement was observed. The excess volumes are negative over the entire range of composition. They show an U-shaped-concentration dependence and decrease in absolute values with increase of temperature. Values of E are negative over the entire range of the composition, and has a trend very similar to that of VE . The analysis shows that at any temperature the specific heat of mixture is a linear function of the composition as x1 > 20%. All the extended lines intersect at one point. An empirical equation is obtained to calculate the specific heat to mixture at any composition and temperature in the experimental range.

Determination of Partial Molar Volumes of EPA and DHA Ethyl Esters in Supercritical Carbon Dioxide

The use of supercritical-fluid chromatography for determining partial molar volumes of ethyl esters of cis-5,8,11,14,17-eicosapentaenoic acid (EPA) and cis -4,7,10,13,16,19- docosa-hexaenoic acid (DHA) in supercritical carbon dioxide is presented and discussed. Partial molar volumes of EPA and DHA esters are obtained from the variation of the retention properties with the density of mobile phase at 313.15 K, 323.15 K, 333.15 K and in the pressure range from 9 MPa to 21 MPa.

Apparent Molar Volumes and Solvation Coefficients in Ternary-pseudo-binary Mixtures [(Styrene+Ethyl Acetate or Benzene)+(N-Methyl-2-pyrrolidone+Ethyl Acetate or Benzene)]

Over the full range of compositions, in the ternary-pseudo-binary mixtures of x[（1-y）C6H5CH=CH2＋ yCH3COOC2H5（or C6H6）]＋（1-x）[（1-y）NMP＋yCH3COOC2Hs（or C6H6）], the apparent molar volumes of each pseudo-pure component at different y values were calculated from the density data at 298.15 K and atmospheric pressure. The results show that the four parameters cubic polynomial can correlate the apparent molar volume with the molar fraction well over the full molar fraction range. The limiting partial molar volumes and the molar volumes of each pseudo-pure component were evaluated with different methods. Based on the limiting partial molar volume and molar volume at a certain y value, a new universal coefficient termed as solvation coefficient γ was defined to describe quantitatively the solvation degree of pseudo-pure solute and the interactions of solute-solvent molecules from the macroscopical thermodynamics viewpoint. The results demonstrate the solvation coefficients decrease with the amount of the third component increasing for each pseudo-pure solute, irrespective of the pseudo-pure solvent. Then the solvation degrees of each pseudo-pure component, the specific interactions between the solute molecule and the solvent one were discussed in terms of the solvation coefficient.

Excess Molar Volume, Viscosity and Heat Capacity for the Binary Mixture of p-Xylene and Acetic Acid at Different Temperatures

Experimental densities, viscosities and heat capacities atdifferent temperatures were presented over the entire range of molefraction for the binary mixture of p-xylene and acetic acid. Densityvalues were used in the determination of excess molar volumes, V^E.At the same time, the excess viscosity and excess molar heatcapacities were calculated. The values of V^E, η~E and c^E_p werefitted to the Redlich-Kister equation. Good agreements were observed.The excess molar volumes are positive with a large maximum valuelocated in the central concentration range.

Studies on Partial Molar Volumes of Some Amino Acids and Their Groups in Aqueous Solutions from 293.15K to 333.15K

Densities of aqueous solutions of eight amino acids, glycine, L-alanine, L-valine, L-isoleucine, L-serine, L-threonine, L-arginine and L-phenylalanine, are measured as a function of amino acid concentration from 293.15K to 333.15K. These data are used to calculate the apparent molar volume Vφ and infinite dilution apparent molar volume Vφo (partial molar volume). Data of five amino acids are used to correlate partial molar volume Vφo usinggroup contribution method to estimate the contributions of the zwitterionic end groups (NH3+,COO-) and CH2 group, OH group, CNHNHNH2 group and C6H5(phenyl) group of amino acids. The results show that Vφo values for all kinds of groups of amino acids studied increase with increase of temperature except those for CH2 group, which are almost constant within the studied temperature range. Data of other amino acids, L-valine, L-isoleucine and L-threonine, are chosen for comparison with the predicted partial molar volume Vφo using the group additivity parameters obtained. The results confirm that this group additivity method has excellent predictive utility.

Molar volume of eutectic solvents as a function of molar composition and temperature

The conventional Rackett model for predicting liquid molar volume has been modified to cater for the effect of molar composition of the Deep Eutectic Solvents(DES). The experimental molar volume data for a group of commonly used DES has been used for optimizing the improved model. The data involved different molar compositions of each DES. The validation of the new model was performed on another set of DESs. The average relative deviation of the model on the training and validation datasets was approximately 0.1% while the Rackett model gave a relative deviation of more than 1.6%. The modified model deals with variations in DES molar composition and temperature in a more consistent way than the original Rackett model which exhibits monotonic performance degradation as temperature moves away from reference conditions. Having the composition of the DES as a model variable enhances the practical utilization of the predicting model in diverse design and process simulation applications.

Density and Excess Molar Volume of Binary Mixtures ofp-Xylene＋Acetic Acid and o-Xylene＋Acetic Acid at Different Temperatures and Pressures

A new apparatus was designed with a thick-walled glass capillary, electric heater tube with red copper and heat preservation. The thick-walled glass capillary was used for its advantages of resistance to acid corrosion and pressure, and ease of observation. The experimental densities over the entire range of mole fraction for the binary mixture of p-xylene＋acetic acid and o-xylene＋acetic acid were measured using the new apparatus at temperatures ranging from 313.15K to 473.15K and pressure ranging from 0.20 to 2,0 MPa. The density values were used in the determination of excess molar volumes, W. The Redlich-Kister equation was used to fit the excess molar volume values, and the coefficients and estimate ot the standard error values were presented. The experimental resuits prove that the density measurement apparatus is successful.

Excess Molar Volume of Binary Mixtures of Methylheptenone+Alkanols at 298.15 K

Excess molar volume(V E) data on binary liquid mixtures of methylheptenone (MHO) with methanol, ethanol, n-propanol or n-butanol have been determined from the density measurements at 298.15 K and atmospheric pressure. The values of V E in all the systems over the entire composition range are quantified by the Redlich-Kister equation. The effects of the chain length of alkanols on V E are discussed.

Excess Molar Volumes and Viscosities of Binary Mixture of Diethyl Carbonate+Ethanol at Different Temperatures

The purpose of this work was to report excess molar volumes and dynamic viscosities of the binary mixture of diethyl carbonate （DEC）+ethanol. Densities and viscosities of the binary mixture of DEC+ethanol at temperatures 293.15 K—343.15 K and atmospheric pressure were determined over the entire composition range. Densities of the binary mixture of DEC+ethanol were measured by using a vibrating U-shaped sample tube densimeter. Viscosities were determined by using Ubbelohde suspended-level viscometer. Densities are accurate to 1.0×10-5 g·cm-3, and viscosities are reproducible within ±0.003 mPa·s. From these data, excess molar volumes and deviations in viscosity were calculated. Positive excess molar volumes and negative deviations in viscosity for DEC+ethanol system are due to the strong specific interactions.All excess molar vo-（lumes） and deviations in viscosity fit to the Redlich-Kister polynomial equation.The fitting parameters were presented,and the average deviations and standard deviations were also calculated.The errors of correlation are very small.It proves that it is valuable for estimating densities and viscosities of the binary mixture by the correlated equation.

Excess Molar Volume and Apparent Molar Volume of Binary Mixtures of 2-Methyl-3-buten-2-ol with 1-Alcohol at 298.15K

Excess molar volumes (V^E_m) of binary mixtures of2-methyl-3-buten-3-ol [CH_3C(OH)(CH_3)CHCG_2] with four 1-alcohols:methanol, ethanol, 1-propanol and l-butanol at 298.15 K andatmospheric pressure are derived from density measurements with avibrating-tube densimeter. All the excess volumes are negative in thesystems over the entire composition range. The results are correlatedwith the Redlich-Kister equation. The effects of chain length ofl-alcohols on V^E_m are discussed. The apparent molar volumes of2-methyl-3-ol and l-alcohols are calculated respectively.

Densities and excess molar volumes of mixtures containing diesel,biodiesel and alkanols at temperatures from 288.15 to 313.15 K

The present work is focusing on the synthesization and physico-chemical properties of Jatropha curcas biodiesel with diesel and alcohols.The densities of binary diesel(2)+1-alkanols(C_(3) or C_(4))(3)and ternary Jatropha curcas biodiesel(1)+diesel(2)+1-alkanols(C_(3)or C_(4))(3)blends have been reported over full range of composition at temperatures within range 288.15 to 313.15 K.Also densities of Jatropha curcas biodiesel(1)+diesel or 1-alkanols(C_(3) or C_(4))(2)blends have been measured at 313.15 K.Excess molar volumes,V^E,V^E_(123)of binary and ternary blends were calculated from the measured data and the derived properties were correlated to composition using Redlich-Kister equation.A reasonable agreement was found between the measured and estimated values.Further,densities and excess molar volumes data were reasoned to discuss molecular interactions taking into consideration effect of composition and temperature.

Activity Trends in Desoxy Anthrapyrazoles: The Influence of Molar Volume, Polarizability and Lipophilicity of N₂C₅Side Chains on Their Anticancer Response

QSAR methodology was used to assess the effects of lipophilicity (logP), molar volume (MV) and polarizability (pl) of the side chains at N2 and C5 of 20 known desoxy anthrapyrazoles on their in vitro anticancer activity expressed as the negative logarithm of the inhibitory concentration of 50% of L1210 murine leukemia cell line (1/logIC50). The main data set shows poor correlations between biological response and the descriptors with exception of MV of the C5 side chain, where a moderate correlation was discerned ( =0.60, n = 18, two outliers). To extract more information regarding mechanism, the main data set was visually classified to three clusters depending on N2 side chain. Cluster 1 containing six 5-substituted 2-[(2-hydroxyethyl) amino] ethyl anthrapyrazoles;cluster 2 contains ten 5-subsitutes 2-(diethyl amino) ethyl anthrapyrazoles and cluster 3 contains four anthrapyrazoles with miscellaneous substituents at both N2 and C5. For cluster 1, MV and pl of C5 show high correlation with biological response (R2’s = 0.75 and 0.72 respectively) while logP gives a weak correlation (R2 = 0.44). For cluster 2, the correlations of logP and pl of C2side chain are higher (=0.66 and 0.62 respectively) compared with MV (=0.16). Cluster 3 shows very poor correlation with all descriptors (~0.3). This indicates mechanistic distinction between the three clusters. Derived descriptors which represent the difference between the descriptors of N2 and C5 side chains where used to explore the presence of interplay between these descriptors in affecting variability of the biological response.

Two-stage extraction by partial grinding of impacted mandibular third molar in close proximity to the inferior alveolar nerve

BACKGROUND Extraction of impacted third molars often leads to severe complications caused by damage to the inferior alveolar nerve(IAN).AIM To proposes a method for the partial grinding of an impacted mandibular third molar(IMM3)near the IAN to prevent IAN injury during IMM3 extraction.METHODS Between January 1996 and March 2022,25 patients with IMM3 roots near the IAN were enrolled.The first stage of the operation consisted of grinding a major part of the IMM3 crown with a high-speed turbine dental drill to achieve sufficient space between the mandibular second molar and IMM3.After 6 months,when the root tips were observed to be away from the IAN on X-ray examination,the remaining part of the IMM3 was completely removed.RESULTS All IMM3s were extracted easily without symptoms of IAN injury after extraction.CONCLUSION Partial IMM3 grinding may be a good alternative treatment option to avoid IAN injury in high-risk cases.

A Case Report of Kissing Molars Class II

Kissing molars (KMs) is a condition of occlusal molar surfaces in a single follicular space with roots extending in opposite directions. Here, we have reported a case of KMs in a 58-year-old woman. The patient complained of pain in the right mandibular molar region and was diagnosed with KMs consisting of the right mandibular second and third molars. Because of the patient’s pain having subsided at the time of the visit and her unwillingness to undergo tooth extraction, the patient was followed up. KMs is classified into three classes (I-III) and is either true-KMs or pseudo-KMs and presents with or without cystic variants of dental follicles. The presents as true-KMs class II without a cystic variant. With reference to the literature and based on our analysis, the mean age of patients affected by this specific case of KMs is 31.7 years and unilateral KMs is relatively more common (85.7%). Histopathological findings of dentigerous cysts are more often indicated (42.9%). The treatment policy for KMs should therefore be based on the classification of KMs. Importantly, the focus should be on preserving the first and second molars as much as possible. The treatment approach, such as the employment of surgical removal or orthodontics, should be determined by considering the associated factors such as the crowns, tissues, and age of the patient.

Pressure Dependence of Molar Volume near the Melting Point in Benzene

The pressure dependence of the molar volume was at constant temperatures close to the melting point in benzene. The molar volume of benzene was calculated using experimental data for the thermal expansivity for constant temperatures of 25℃, 28.5℃, 40℃, and 51℃ at various pressures for both the solid and liquid phases. The predictions are in good agreement with the observed volumes in both the solid and liquid phases of benzene. The predicted values of the molar volume for a constant temperature of 28.5℃in the liquid phase of benzene agree well with experimental data in the literature.

Excess Molar Volumes and Viscosities for Binary Mixtures of 1-Alkoxypropan-2-ols with 1-Butanol, and 2-Butanol at 298.15 K and Atmospheric Pressure

Excess molar volumes Vm^E and kinematic viscosities v have been measured as a function of composition for binary mixtures of propylene glycol monomethyl ether （1-methoxy-2-propanol）, MeOCH2CH（OH）Me, propylene glycol monoethyl ether （1-ethoxy-2-propanol）, EtOCH2CH（OH）Me, propylene glycol monopropyl ether （1-propoxy-2-propanol）, PrOCH2CH（OH）Me, propylene glycol monobutyl ether （1-butoxy-2-propanol）, BuOCH2CH（OH）Me, and propylene glycol tert-butyl ether （1-tert-butoxy-2-propanol）, t-BuOCH2CH（OH）Me with 1-butanol, and 2-butanol, at 298.15 K and atmospheric pressure. The excess molar volumes are negative across the entire range of composition for all the systems with 1-butanol, and positive for the systems 2-butanol＋ 1-methoxy-2-propanol, and ＋1-propoxy-2-propanol, negative for the systems 2-butanol＋1-butoxy-2-propanol, and change sign for the systems 2-butanol＋ 1-ethoxy-2-propanol, and ＋ 1-tert-butoxy-2-propanol. From the experimental data, the deviation in dynamic viscosity η from ∑χiηi has been calculated. Both excess molar volumes and viscosity deviations have been correlated using a Redlich-Kister type polynomial equation by the method of least-squares for the estimation of the binary coefficients and the standard errors.

Density of supercritical CO_2-tetrahydrofuran binary mixture and the partial molar volume of the cosolvent

The densities of supercritical CO2-tetrahydrofuran (cosolvent) binary mixture weremeasured at temperatures in range of 308.15 to 323.15 K and at pressure up to 16.5 MPa.The concentrations of tetrahydrofuran were from 0 to 0.57 mol/L.The partial molar volume of tetrahydrofuran was calculated based on the relationship between the density of the mixture and the concentration of the cosolvent.It is observed that the partial molar volume of the cosolvent is negative and the absolute value decreases with increasing pressure and the concentration of the cosolvent.

Improved method to determine the molar volume and compositions of the NaCl-H_2O-CO_2 system inclusion

On the basis of Parry’s method (1986), an improved method was established to determine the molar volume (Vm) and compositions (X) of the NaCl-H2O-CO2 (NHC) system inclusion. To use this method, the determination of Vm-X only requires three microthermometric data of a NHC inclusion: partial homog-enization temperature (Th ,CO2), salinity (S) and total homogenization temperature (Th). Theoretically, four associated equations are needed containing four unknown parameters: X CO2, XNaCl, Vm and F (volume fraction of CO2 phase in total inclusion when occurring partial homogenization). When they are released, the Vm-X are determined. The former three equations, only correlated with Th ,CO2, S and F, have simplified expressions:XCO2=f1(Th,CO2,S,F),XNaCl=f2(Th,CO2,S,F),Vm=f3(Th,CO2,S,F). The last one is the thermodynamic relationship of X CO2, XNaCl, Vm and Th:f4(XCO2,XNaCl,Vm,Th)=0.Since the above four associated equations are complicated, it is necessary to adopt iterative technique to release them. The technique can be described by:(i) Freely input a F value (0≤F≤1),with Th ,CO2 and S, into the former three equations. As a result,X CO 2,XNaCl and the molar volume value recorded as Vm1 are derived. (ii) Input the X CO2 and XNaCl gotten in the step above into the last equation, and another molar volume value recorded as Vm2 is determined. (iii) If Vm1 is unequal to Vm2, the calculation will be restarted from “(i)”. The iteration is completed until Vm1 is equal to Vm2, which means that the four associated equations are released. Compared to Parry’s (1986) solution method, the improved method is more convenient to use, as well as more accurate to determine X CO 2. It is available for a NHC inlusion whose partial homogenization temperature is higher than clatherate melting temperature and there are no solid salt crystals in the inclusion at parital homogenization.

Hydrogen bonding interactions between ethylene glycol and water:density,excess molar volume,and spectral study

Studies of the density and the excess molar volume of ethylene glycol (EG)-water mixtures were carried out to illustrate the hydrogen bonding interactions of EG with water at different temperatures. The re-sults suggest that a likely complex of 3 ethylene glycol molecules bonding with 4 water molecules in an ethylene glycol-water mixture (EGW) is formed at the maximal excess molar volume,which displays stronger absorption capabilities for SO2 when the concentration of SO2 reaches 400×10?6 (volume ratio) in the gas phase. Meanwhile,FTIR and UV spectra of EGWs were recorded at various EG concentra-tions to display the hydrogen bonding interactions of EG with water. The FTIR spectra show that the stretching vibrational band of hydroxyl in the EGWs shifts to a lower frequency and the bending vibra-tional band of water shifts to a higher frequency with increasing the EG concentration,respectively. Furthermore,the UV spectra show that the electron transferring band of the hydroxyl oxygen in EG shows red shift with increasing the EG concentration. The frequency shifts in FTIR spectra and the shifts of absorption bands in UV absorption spectra of EGWs are interpreted as the strong hydrogen bonding interactions of the hydrogen atoms in water with the hydroxyl oxygen atoms of EG.