In 2004, we started to develop a group contribution method aimed at estimating the temperature dependent binary interaction parameters (kij(T)) for the widely used Peng–Robinson equation of state (EOS). Because our model relies on the Peng–Robinson EOS as published by Peng and Robinson in 1978 and because the addition of a group contribution method to estimate the kij makes it predictive, this model was called PPR78 (predictive 1978, Peng Robinson EOS). In our previous papers eleven groups were defined: CH3, CH2, CH, C, CH4 (methane), C2H6 (ethane), CHaro, Caro, Cfused aromatic rings, CH2,cyclic and CHcyclic Ccyclic. It was thus possible to estimate the kij for any mixture containing alkanes, aromatics and naphthenes at any temperature. In this study, the PPR78 model is extended to systems containing carbon dioxide. To do so, the group CO2 was added. The results obtained in this study are in many cases accurate.

Predicting the phase equilibria of CO2+hydrocarbon systems with the PPR78 model (PR EOS and kij calculated through a group contribution method)

A compendium of phase change enthalpies published in 2010 is updated to include the period 1880–2015. Phase change enthalpies including fusion, vaporization, and sublimation enthalpies are included for organic, organometallic, and a few inorganic compounds. Part 1 of this compendium includes organic compounds from C1 to C10. Part 2 of this compendium, to be published separately, will include organic and organometallic compounds from C11 to C192. Sufficient data are presently available to permit thermodynamic cycles to be constructed as an independent means of evaluating the reliability of the data. Temperature adjustments of phase change enthalpies from the temperature of measurement to the standard reference temperature, T = 298.15 K, and a protocol for doing so are briefly discussed.

Phase Transition Enthalpy Measurements of Organic and Organometallic Compounds. Sublimation, Vaporization and Fusion Enthalpies From 1880 to 2015. Part 1. C1-C10

Solubility of CO2 in branched alkanes in order to extend the PPR78 model (predictive 1978, Peng–Robinson EOS with temperature-dependent kij calculated through a group contribution method) to such systems

Energetic material is a very essential company of compounds, widely used in various fields, primarily in the military industry and space technologies. These compounds are unique in that they are capable of instantly decomposing to release enormous energy. The chemical diversity of energetic organic compounds is constantly increasing through the combination of various high-nitrogen frameworks and explosophoric groups, which follows the overall trend of increasing interest in their chemistry and applications. The scientific community is constantly looking for more powerful and less sensitive to external impulses energetic compounds for both military and civilian use. Herein, a detailed overview regarding classic and novel explosophoric groups and various frameworks, as well as a description of the selected synthesis for the target compounds, has been given for the time period since 2010. The physical properties and performances of benchmark and prospective compounds are also collected.

Recent Synthetic Efforts towards High Energy Density Materials: How to Design High-Performance Energetic Structures?

Solubility of CH4 in the mixed solvent t-butyl alcohol and water

Solubility of CO2 in a mixed solvent of n-octane and i-octane at elevated pressures

Heats of combustion and formation of norbornane

Study on the electrostatic interaction in organic chlorocompounds. Enthalpies of combustion and formation of 1,3- and 1,4-dichlorobutanes

Testing of a sorption microcalorimeter and measurement of immersion heats of silica gel

The electron donor-acceptor (EDA) association constants for the reaction of poly (N-vinylcarbazole) (PVK) samples, prepared under three conditions respectively, or their model compound, N-ethenylcarbazole (NECA), as a donor, and polynitrofluorenone as an acceptor and the molar absorption coefficients of their products have been determined. By analysis of 1H NMR of PVK quantitatively, the isotactic sequence's percentage X1 is estimated. The association constants K may be given by K=K1X1+K2X2, where the subscripts 1 and 2 denote the isotactic and syndiotactic sequence of the polymer respectively. From the principle of spectral analyses has been deduced the following relationship: Ke =K1X1e1 +K2X, e2, and estimated the values for K1, K2, e1 and e2 where e is the molar absorption coefficient.

Hu Ri-Heng

Papers

Solubility of CO2 in a mixed solvent of n-octane and i-octane at elevated pressures

Heats of combustion and formation of norbornane

Study on the electrostatic interaction in organic chlorocompounds. Enthalpies of combustion and formation of 1,3- and 1,4-dichlorobutanes

Testing of a sorption microcalorimeter and measurement of immersion heats of silica gel

Research on electron donor‐acceptor (EDA) association reaction of PVKs characterized by special tacticity with polynitrofluorenone