A Comparative Study on the Separating Methods of Al,Ca and Mg Based on Theoretical Energy Consumption

Based on thermodynamics and physical chemistry theory,the theoretical energy consumption (TEC) of the typical separating processes of Al,Ca and Mg has been calculated and analyzed.This paper attempts to prove that the thermal method is more reasonable than the electrolytic methods to separate Al,Ca and Mg under the domestic circumstances of the low efficiency of coal-firing power plant at present.

Theoretical energy consumption analytical method for metal separation process

The theoretical energy consumption(TEC)analytical methods and the calculated models for the electrolytic and thermal reduction metal separation processes have been put forward based on thermodynamics and physical chemistry principles,providing theoretical foundation for choosing the optimum metal separation methods.Based on the models,the TECs of the Mg separation processes are taken as an example,and have been calculated and analyzed contrastively,including the MgCl_2 electrolytic method,the MgO electrolytic method with inert electrode and with carbon anode,and the silicothermic method.It is shown that the thermal method is more reasonable than the electrolytic methods to separate Mg under low efficiency of coal power generation.

THEORETICAL INVESTIGATION OF COLLISION ENERGY EFFECT ON REACTION O(?) BARIUM WITH METHYL BROMIDE

The reac dynamics on Ba+BrCH_3→BaBr+CH_3 has been investigated in the first proposed potential energy surface of the generalized LEPS type,using the quasiclassical trajectory method.In simulation of the conditions in molecular beam experiments,the results of the present study show significant effect of the reagent collision energy on the dynamics of the reaction,and are in good agreement with the experimental ones.

ESTIMATION OF THEORETICAL POTENTIAL AND EXPLOITABLE QUANTITY OF CHINA'S OCEANIC THERMAL ENERGY

Two estimaton methods are used to calculate the theoretical reservoir potential of China's oceanic thermal energy. One is based on the measured temperature difference between the surface water and the deep water, the other on the net radiation energy income from solar insolation either measured or deduced. The results from these two methods are compared and examined. Then, the maximum amount of the exploitable thermal energy is calculated based on the assumption of a Carnot cycle efficiency. In the process of estimation, such factors as water depth, seasonal water temperature variation and geographic location have been taken into account.The theoretical reservoir capacity and the exploitable quantity of the thermal energy of China's four seas are thus estimated separately.

Application of TLSER method in predicting the aqueous solubility and n-octanol/water partition coefficient of PCBs,PCDDs and PCDFs

The theoretical linear solvation energy relationship(TLSER) approach was adopted to predict the aqueous solubility and n -octanol/water partition coefficient of three groups of environmentally important chemicals-polychlorinated biphenyls(PCBs), polychlorinated dibenzodioxins and dibenzofurans(PCDDs and PCDFs). For each compound, five quantum parameters were calculated using AM1 semiempirical molecular orbital methods and used as structure descriptors: average molecular polarizability(α), energy of the lowest unoccupied molecular orbit( E _ LUMO ), energy of the highest occupied molecular orbit( E _ HOMO ), the most positive charge on a hydrogen atom( q _+), and the most negative atomic partial charge( q _-) in the solute molecule. Then standard independent variables in TLSER equation was extracted and two series of quantitative equations between these quantum parameters and aqueous solubility and n -octanol/water partition coefficient were obtained by stepwise multiple linear regression(MLR) method. The developed equations have both quite high accuracy and explicit meanings. And the cross-validation test illustrated the good predictive power and stability of the established models. The results showed that TLSER could be used as a promising approach in the estimation of partition and solubility properties of macromolecular chemicals, such as persistent organic pollutants.

Specific Energy Consumption Analysis Model and Its Application in Typical Steel Manufacturing Process

Theoretical minimum and actual specific energy consumptions （SEC） of typical manufacturing process （SMP） were studied. Firstly, a process division of a typical SMP in question was conducted with the theory of SEC analysis. Secondly, an exergy analysis model of a subsystem consisting of several parallel processes and a SEC analysis model of SMP were developed. And finally, based on the analysis models, the SEC of SMP was analyzed by means of the statistical significance. The results show that the SEC of typical SMP comprises the theoretical minimum SEC and the additional SEC derived from the irreversibility~ and the SMP has a theoretical minimum SEC of 6.74 GJ/t and an additional SEC of 19.32 GJ/t, which account for 25.88% and 74.12% of the actual SEC, respectively.

Physicochemical principles of hydrogen metallurgy in blast furnace

Based on the stoichiometric method and the free energy minimization method,an ideal model for the reduction of iron oxides by carbon and hydrogen under blast furnace conditions was established,and the reduction efficiency and theoretical energy consumption of the all-carbon blast furnace and the hydrogen-rich blast furnace were compared.The results show that after the reduction reaction is completed at the bottom of the blast furnace,the gas produced by reduction at 1600℃still has a certain excessive reduction capacity,which is due to the hydrogen brought in by the hydrogen-rich blast as well as the excess carbon monoxide generated by the reaction of the coke and the oxygen brought in by the blast.During the process of the gas with excessive reduction capacity rising from the bottom of the blast furnace and gas reduction process,the excessive reduction capacity of the gas gradually decreases with the increase in the dydrogen content in the blast.In the all-carbon blast furnace,the excess gas reduction capacity is the strongest,and the total energy consumption per ton of iron reduction is the lowest.This shows that,for the current operation mode of the blast furnace,adding hydrogen in the blast furnace cannot reduce the consumption of carbon required for reduction per ton of iron,but rather increases the consumption of carbon.