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Rovibrational Nonequilibrium of Nitrogen Behind a Strong Normal Shock Wave
김재강 한국항공우주학회 2017 International Journal of Aeronautical and Space Sc Vol.18 No.1
Recent modeling of thermal nonequilibrium processes in simple molecules like hydrogen and nitrogen has indicated that rotational nonequilibrium becomes as important as vibrational nonequilibrium at high temperatures. In the present work, in order to analyze rovibrational nonequilibrium, the rotational mode is separated from the translational-rotational mode that is usually considered as an equilibrium mode in two- and multi-temperature models. Then, the translational, rotational, and electron-electronic-vibrational modes are considered separately in describing the thermochemical nonequilibrium of nitrogen behind a strong normal shock wave. The energy transfer for each energy mode is described by recently evaluated relaxation time parameters including the rotational-to-vibrational energy transfer. One-dimensional post-normal shock flow equations are constructed with these thermochemical models, and post-normal shock flow calculations are performed for the conditions of existing shock-tube experiments. In comparisons with the experimental measurements, it is shown that the present thermochemical model is able to describe the rotational and electron-electronic-vibrational relaxation processes of nitrogen behind a strong shock wave.
Expansion of the equilibrium constants for the temperature range of 300K to 20,000K
김재강 한국항공우주학회 2016 International Journal of Aeronautical and Space Sc Vol.17 No.4
Chemical-kinetic parameters of the equilibrium constants to evaluate the reverse rate coefficients in the shock layer of a blunt body and the expanding flows are derived for the temperature range from 300 K to 20,000 K. The expanded equilibrium constants for the chemical reactions of the dissociation, ionization, associative ionization, and neutral and charge exchange reactions of the atmospheric species and carbon materials are proposed in the present work. In evaluating the equilibrium constants, the inter-nuclear potential energies of the molecular species are calculated by the analytical potential function of the Hulburt-Hirschfelder model, and the parameters of the analytical model are determined from the semi-classically calculated RKR potentials. The electronic states and energies of the atoms are calculated by the electronic energy grouping model, and the rovibrational states and energies of each electronic states of the molecules are evaluated by the WKB method. The expanded equilibrium constants for 31 types of the reactions are provided for the best curve-fit functions, and the recombination reaction rate coefficients evaluated from the present equilibrium constants are compared with existing measured values.
Rovibrational Energy Transitions and Coupled Chemical Reaction Modeling of H+H2 and He+H2 in DSMC
김재강 한국항공우주학회 2015 International Journal of Aeronautical and Space Sc Vol.16 No.3
A method of describing the rovibrational energy transitions and coupled chemical reactions in the direct simulation Monte Carlo (DSMC) calculations is constructed for H(2S)+H2(X1Σg) and He(1S)+H2(X1Σg). First, the state-specific total cross sections for each rovibrational states are proposed to describe the state-resolved elastic collisions. The state-resolved method is constructed to describe the rotational-vibrational-translational (RVT) energy transitions and coupled chemical reactions by these state-specific total cross sections and the rovibrational state-to-state transition cross sections of bound-bound and bound-free transitions. The RVT energy transitions and coupled chemical reactions are calculated by the state-resolved method in various heat bath conditions without relying on a macroscopic properties and phenomenological models of the DSMC. In nonequilibrium heat bath calculations, the state-resolved method are validated with those of the master equation calculations and the existing shock-tube experimental data. In bound-free transitions, the parameters of the existing chemical reaction models of the DSMC are proposed through the calibrations in the thermochemical nonequilibrium conditions. When the bound-free transition component of the state-resolved method is replaced by the existing chemical reaction models, the same agreement can be obtained except total collision energy model.
김재강,이주열,박병현,최진식 한국유화학회 2016 한국응용과학기술학회지 Vol.33 No.1
기존 연구에서는 스크러버를 이용한 NO2 를 제거하기 위해 암모니아 수용액을 적용한다. 하 지만 암모니아는 독성 및 악취가 강해 실선 적용에 어려움이 따를 수 있어, 암모니아를 대체할 수 있는 물질을 찾기 위해 이 연구를 진행하였다. 대체 물질로는 수산화나트륨(NaOH), 티오황산나트륨 (Na2S2O3), 요소(Urea)를 사용하였다. 세정액을 제외한 모든 부분은 기존 암모니아를 적용한 실험의 최 적 조건과 동일하게 진행하였다. 그 결과 실험에 사용된 세 가지 물질 중 두 물질은 암모니아 용액과 대체가 가능한 것으로 사료되었으며, 최적조건은 각각 NaOH 2.5 %, Na2S2O3 5.0 % 에서 가장 높은 효 율을 나타냈다. Urea는 효율이 일정하게 지속되지 않아 대체 물질로는 적합하지 않음을 확인 할 수 있 었다. In the existing research, the ammonia aqueous solution was used in order to remove the Nitrogen dioxide using the scrubber. However, ammonia is poisonous and stench is extreme. So, the system application follows the difficulty. Experiments were conducted to find a substitute material ammonia. The sodium hydroxide(NaOH), sodium thiosulfate (Na2S2O3), and urea were used with the substitute substance. The experimental condition proceeded as the optimum conditions in the existing ammonia use. The experimental result NaOH and Na2S2O3 was available. NaOH showed the efficiency which is the highest in 2.5%. And Na2S2O3 showed the efficiency which is the highest in 5.0%. The efficiency was not fixed and the urea was inappropriate with the substitute substance.