高溫高壓濕空氣性質(zhì)的分子動力學(xué)模擬研究.pdf

1、重慶大學(xué)碩士學(xué)位論文高溫高壓濕空氣性質(zhì)的分子動力學(xué)模擬研究姓名：萬黎明申請學(xué)位級別：碩士專業(yè)：熱能工程指導(dǎo)教師：劉朝20050501英文摘要IIIABSTRACTBecause moist air at high temperature and pressure is currently being consideredfor use in the new thermodynamic circulation, molecular dyn

2、amics simulation (MDS) isadopted to investigate the properties of moist air which are used in moist air turbine andcompressed air energy storage (CAES) system. Based on the theory of statisticalthermodynamics, the way to

3、 calculate the properties parameter of moist air is presented.Results are given for temperature from 10℃ to 600℃ and humidity ratios from 0.01 to0.445 mol/molh- air and pressure from 0.1MPa to 40MPa.Main contents of rese

4、arch are listed as fellows:1. A suitable molecular dynamics simulation potential function model is chosen forcalculating the properties of moist air by comparing the performance of Lennard- Jonesmodel with TIP4P model wh

5、en they are used in calculating the properties of watervapor.2. The deflection between results of simulation pressure property in dry air andexperimental data at state of low temperature and high density is analyzed. Are

6、formative method to calculate pressure of moist air is presented.3. Suppositional critical properties Pc、Vc、Tc of moist air are given for humidityratios from 0.01 to 0.445 mol/molh- air by the help of Van der waals mixin

7、g- rule.4. The PVT properties of moist air are calculated by chosen potential functionmodel and modified virial pressure function, results agree well with experiment data.5. The PVT properties of moist air in a more broa

8、d range of temperature andpressure are calculated by molecular dynamics simulation and modified virial pressurefunction. 756 groups data of PVT properties are obtained for temperature from 10℃ to600℃ and humidity ratios

9、from 0.03 to 0.445 mol/molh- air and pressure from 0.1MPa to40MPa.6. Virial coefficients and relating formulations which are associated withtemperature are got from PVT properties obtained by molecular dynamics simulatio

10、n.7. By compared with standard Brownian motion, the fractional dimension numberof path of practical liquid molecular motion is analyzed theoretically on the basis offractal theory. The criterion of rational statistical s