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11.
An isothermal equation of state (EOS) for solids, recently suggested by the authors in the realistic form, V/V0=f(P), with relative volume as the dependent and the pressure as the independent variable, was shown to have an advantage for some close-packed materials in that it allows B′∞=(∂Bs/∂P)s(P→∞) to be fitted, and this is where the usual standard equations fail. In the present study, our EOS is applied to a number of inorganic as well as organic solids, including alloys, glasses, rubbers and plastics; varying widely in their bonding and structural characteristics, as well as in their bulk modulus values. A very good agreement is observed between the data and fits. The results obtained are compared with those from two well-known equations, expressible in the realistic form, proposed by Murnaghan and Luban. Further, the results are also compared with those from the widely used two- and three-parameter EOSs, expressible in the unrealistic form only, P=f(V/V0), proposed by Birch—and also with those from the EOS model of Keane in which B′∞ is explicitly expressed as an equation of state parameter. The results obtained from our model compare well to these EOSs. Our EOS, in general, yields the smallest mean-squared deviations between data and fits. The values of B′∞calculated from our EOS are compared with those from Keane's model. Further, we have studied the variation of B′∞with temperature using the experimental isotherms of Mo and W at 10 different temperatures ranging from 100 to 1000 K, and observed that the values of B′∞ yielded by our model and that of Keane vary, as expected, within a narrow range. Furthermore, our EOS is applied to study the stability of the fit parameters with variation in the pressure ranges with reference to the isothermal compression data on Mo and W—and also to study the variation of isothermal bulk modulus with pressure, with reference to the ultrasonic data on NaCl and noted a very good agreement with experiment. In addition, our model is applied, with B0 and B′0 constrained to the theoretical values, to the five theoretical isotherms of MgO at 300, 500, 1000, 1500 and 2000 K obtained on the basis of a first principles approach—a good agreement is observed with the predictions, and the values of B′∞ inferred at different temperatures tend to converge to a constant value. 相似文献
12.
二组分混合物的最小流化特性 Ⅰ.混合/分离状态与最小流化空隙率 总被引:1,自引:0,他引:1
分析了二组分混合物的3种混合/分离状态及在完全混合时发生连续相转变的极限组成。提出一个判别非等密度体系混合/分离状态的法则与确定混合物空隙率简易可行的随意松散堆积方法。 相似文献
13.
14.
THERMODYNAMIC STUDY OF ADSORPTION OF PHENOLIC COMPOUNDS FROM AQUEOUS SOLUTION BY A WATER-COMPATIBLE HYPERCROSSLINKED POLYMERIC ADSORBENT 总被引:2,自引:0,他引:2
Ai-minLi Hai-suoWu Quan-xingZhang Gen-chengZhang ChaoLong Zheng-haoFei Fu-qiangLiu Jin-longChen 《高分子科学》2004,(3):259-267
Equilibrium data for the adsorption of phenolic compounds, i.e., phenol, p-cresol, p-chlorophenol and p-nitrophenol from aqueous solutions by a water-compatible hypercrosslinked polymeric adsorbent (NJ-8) within temperature range of 283-323 K were obtained and correlated with a Freundlich-type of isotherm equation, so that equilibrium constants KF and n were obtained. The capacities of equilibrium adsorption for all the four phenolic compounds on the NJ-8 from aqueous solutions are around 2 times as high as those of Amberlite XAD-4, which may be attributed to the unusual micropore structure and the partial polarity on the network. The values of the enthalpy (always negative) are indicative of an exothermic process, which manifests the adsorption of all the four phenolic compounds on the two polymeric adsorbents to be a process of physical adsorption. The negative values of free energy change show that the solute is more concentrated on the adsorbent than in the bulk solution. The absolute free energy values of adsorption for NJ-8 are always higher than those for Amberlite XAD-4, which indicates that phenolic compounds are preferentially adsorbed on NJ-8. The negative values of the adsorption entropy are consistent with the restricted mobilities of adsorbed molecules of phenolic compounds as compared with the molecules in solution. The adsorption entropy values of phenolic compounds for NJ-8 are lower than those for Amberlite XAD-4, which means the micropores of NJ-8 require more orderly arranged adsorbate. 相似文献
15.
Moon Hwan Cho Seung Chang Yang Nam Keun Yang Yongjin Kang Jaejung Ko 《Journal of inclusion phenomena and macrocyclic chemistry》1998,30(4):279-287
The thermodynamic parameters for the interaction of Cu2+, Ni2+, Co2+, Cd2+, andAg+ with the new title ligand have been determined by titration calorimetry in 50% THF–methanol (V/V) at 25 °C.Ag+ exhibited remarkably higher complexation selectivity.Ag+ and several transition metal ions have been transportedusing this ligand as carrier in a bulk liquid membrane. CompetitiveAg+–M2+ transport studies have also beencarried out for the same system. In this membrane transport study, high transport of Ag+ was observed in both single and competitiveAg+–M2+ transport studies. The complexformation of N,N-bis[o-(diphenylphosphino)benzylidene]ethylenediamine (P2N2) with silver,[Ag(P2N2)] (NO3), (1) is reported. Complex 1 has been characterized by X-ray crystallography. 1 ismonoclinic, space group P21/n (No. 14), with cell dimensionsa = 13.398(4) , b=12.577(5) , c = 21.521(4) , =100.14(2) , V = 3570(2) 3 and Z = 4. 相似文献
16.
Krystyna Cieśla H. Rahier Grażyna Zakrzewska-Trznadel 《Journal of Thermal Analysis and Calorimetry》2004,77(1):279-293
One to three endothermal peaks atributted to melting of bulk and interfacial water were observed by DSC in the regenerated
cellulose — water system. The profiles of thermal effects depend on water content, time of conditioning, film pretreatment
and the conditions applied during the preceding freezing-thawing cycles. The occurrence might be deduced of melting-crystallisation
processes. A large amount of non-freezable strongly bounded water was also detected.
Although cellulose absorbs water quickly after immersion, the structural changes consisting on ordering of polymer fraction
occur during further conditioning due to increase in strength of water binding. Using the membranes in the separation module
at 90°C causes weakening of these bonds. Differences between interaction of particular cellulose films with water can be detected
during the first, the second and the third heating.
This revised version was published online in July 2006 with corrections to the Cover Date. 相似文献
17.
Underpotential deposition studies of copper on glassy carbon 总被引:1,自引:0,他引:1
Studies on the deposition and dissolution of copper from 0·5 M sulphuric acid solutions onto glassy carbon (GC) using potential
sweep techniques indicated that an additional peak occurs at higher positive potentials than the bulk stripping peak. This
peak is identified as due to the stripping of underpotential deposited (UPD) copper. Results of investigations on the effect
of sweep rate, deposition potential and time of deposition on the peak characteristics of UPD and bulk deposited copper are
also reported. 相似文献
18.
Employing hot tungsten filament to thermal dissociate molecular hydrogen,we generated gas phase atomic hydrogen under ultra-high vacuum(UHV)conditions and investigated its interaction with Pt(111) surface.Thermal desorption spectroscopy(TDS)results demonstrate that adsorption of molecular hy- drogen on Pt(111)forms surface Had species whereas adsorption of atomic hydrogen forms not only surface Had species but also bulk Had species.Bulk Had species is more thermal-unstable than surface Had species on Pt(111),suggesting that bulk Had species is more energetic.This kind of weakly- adsorbed bulk Had species might be the active hydrogen species in the Pt-catalyzed hydrogenation reactions. 相似文献
19.
氢分子在金属表面的解离吸附与氢原子在金属体相的扩散是个典型的表面过程.前者在甲烷化及合成氨等基础化工反应中起着关键作用;后者常常导致金属材料的脆化与断裂,但过渡金属及其合金是安全和优良的储氢材料.因此,研究氢分子在金属表面的解离吸附与氢原子在金属体相的扩散,是多相催化与金属物理广泛感兴趣的课题,具有重要的理论和应用价值.本文采用分子动力学方法初步探讨了二者之间的关联.分子催化动力学为从微观层次上研究上述课题提供了一种理论方法.本文采用经过我们改进的半经验LEPS方法,计算了氢分子在Pd(100)和(110)晶面的解离和氢原子在钯表面与体相扩散的相互作用位能面,并根据计算结果探讨了其微观机理. 相似文献
20.
以计量置换吸附理论(SDT A)为基础,从理论上推导出计量吸附模型中表征溶质对固定相亲合势大小的参数βa值与流动相中强置换剂浓度的对数呈线性关系。计量置换模型中的参数n和q(n和q分别代表1摩尔溶剂化溶质被吸附时,从吸附剂表面和从溶质分子表面所释放出的溶剂的物质的量)是计量置换参数Z值的分量,是两个非常有用的参数,可以从这个定量关系中直接获得。推导出的方程用苯的衍生物进行了实验验证,获得了较满意的结果。将这种方法计算得到的分量值与SDT A与计量置换保留模型(SDT R)相结合的方法得到的分量值进行了比较。 相似文献