Thermodynamic Difference Rules: A Prescription for Their Application and Usage to Approximate Thermodynamic Data

被引:32
作者
Jenkins, H. Donald Brooke [1 ]
Glasser, Leslie [2 ]
机构
[1] Univ Warwick, Dept Chem, Coventry CV4 7AL, W Midlands, England
[2] Curtin Univ Technol, Dept Chem, Nanochem Res Inst, Perth, WA 6845, Australia
关键词
VOLUME-BASED THERMODYNAMICS; LATTICE ENERGIES; COMBUSTION CALORIMETRY; ION VOLUMES; ENTHALPY; SALTS; DENSITY; ENERGETICS; SOLIDS; VALUES;
D O I
10.1021/je100383t
中图分类号
O414.1 [热力学];
学科分类号
摘要
Thermodynamic data are required for an understanding of the behavior of materials hut are often lacking (or even unreliable) for a variety of reasons such as synthetic problems, purity issues, failure to correctly identify hydrolysis products, instability of the material. etc. Thus, it is necessary to develop procedures for the estimation of that data. The Thermodynamic Difference Rules (TDR) are additive approximations by which the properties of materials are estimated by reference to those of related materials. These rules appear in the form of the reliable Hydrate Difference Rule (HDR), based on the well-established properties of the large number of known hydrates, and the somewhat less certain Solvate Difference Rule (SDR). These rules are briefly surveyed and their application carefully delineated by a scheme and demonstrated by a number of calculated examples.
引用
收藏
页码:4231 / 4238
页数:8
相关论文
共 45 条
[1]  
[Anonymous], 1998, J PHYS CHEM REF DATA
[2]  
Benson S.W., 1968, THERMOCHEMICAL KINET
[3]   ADDITIVITY RULES FOR THE ESTIMATION OF MOLECULAR PROPERTIES - THERMODYNAMIC PROPERTIES [J].
BENSON, SW ;
BUSS, JH .
JOURNAL OF CHEMICAL PHYSICS, 1958, 29 (03) :546-572
[4]  
BERG LG, 1965, ZH NEORG KHIM, V10, P1419
[5]   77Se NMR Spectroscopic, DFT MO, and VBT Investigations of the Reversible Dissociation of Solid (Se6I2)[AsF6]2•2SO2 in Liquid SO2 to Solutions Containing 1,4-Se6I22+ in Equilibrium with Sen2+ (n=4, 8, 10) and Seven Binary Selenium Iodine Cations: Preliminary Evidence for 1,1,4,4-Se4Br42+ and cyclo-Se7Br+ [J].
Brownridge, Scott ;
Calhoun, Larry ;
Jenkins, H. Donald B. ;
Laitinen, Risto S. ;
Murchie, Michael P. ;
Passmore, Jack ;
Pietikainen, Jarkko ;
Rautiainen, J. Mikko ;
Sanders, Jeremy C. P. ;
Schrobilgen, Gary J. ;
Suontamo, Reijo J. ;
Tuononen, Heikki M. ;
Valkonen, Jussi U. ;
Wong, Chi-Ming .
INORGANIC CHEMISTRY, 2009, 48 (05) :1938-1959
[6]   Thermochemistry, bond energies, and internal rotor potentials of dimethyl tetraoxide [J].
da Silva, Gabriel ;
Bozzelli, Joseph W. .
JOURNAL OF PHYSICAL CHEMISTRY A, 2007, 111 (47) :12026-12036
[7]   The thermodynamic properties of four triphenylsilane acetylene peroxides [J].
Dibrivnyi, V. N. ;
Mel'nik, G. V. ;
Van-Chin-Syan, Yu. Ya. ;
Yuvchenko, A. P. .
RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY, 2006, 80 (03) :330-334
[8]   The gaseous enthalpy of formation of the ionic liquid 1-butyl-3-methylimidazolium dicyanamide from combustion calorimetry, vapor pressure measurements, and ab initio calculations [J].
Emel'yanenko, Vladimir N. ;
Verevkin, Sergey P. ;
Heintz, Andreas .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2007, 129 (13) :3930-3937
[9]   The enthalpies of formation of o-, m-, and p-benzoquinone:: Gas-phase ion energetics, combustion calorimetry, and quantum chemical computations combined [J].
Fattahi, A ;
Kass, SR ;
Liebman, JF ;
Matos, MAR ;
Miranda, MS ;
Morais, VMF .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2005, 127 (16) :6116-6122
[10]  
FYFE WS, 1958, GEOL SOC AM MEMOIR, V73