Mulliken, NPA, MK and CHelpG population analyses have been accomplished at the level of MP2/6-31G（d,p） for the title system. The variations of four kinds of charges on NH3 with intermolecular distance infer that ele...Mulliken, NPA, MK and CHelpG population analyses have been accomplished at the level of MP2/6-31G（d,p） for the title system. The variations of four kinds of charges on NH3 with intermolecular distance infer that electron transfers from NH3 to H2O. MK and CHelpG population analyses indicate more electron transfer than Mulliken and NPA ones. The atomic charges resulted from MK and CHelpG schemes infer that electron transfers from N in NH3 to H in H2O, which confirms that this bimolecular complex possesses linear structure as H3N…HOH.展开更多
This paper is focused on the cascade refrigeration cycle using natural refrigerant CO 2-NH 3. The properties of refrigerants CO 2 and NH 3 are introduced and analyzed.CO 2 has the advantage in low stage of cascade ref...This paper is focused on the cascade refrigeration cycle using natural refrigerant CO 2-NH 3. The properties of refrigerants CO 2 and NH 3 are introduced and analyzed.CO 2 has the advantage in low stage of cascade refrigeration cycle due to its good characteristics and properties. The thermodynamic analysis results of the CO 2-NH 3 cascade refrigeration cycle demonstrates that the cycle has an optimum condensation temperature of low stage and also has an optimum flow rate ratio.By comparing with the R13-R22 and NH 3-NH 3 cascade refrigeration cycles, the mass flow rate ratio of CO 2-NH 3 is larger than those of R13-R22 and NH 3-NH 3, the theoretical COP of CO 2-NH 3 cascade refrigeration cycle is larger than that of the R13-R22 cascade cycle and smaller than that of the NH 3-NH 3 cascade cycle. But the real COP of CO 2-NH 3 cascade cycle will be higher than those of R13-R22 and NH 3-NH 3 because the specific volume of CO 2 at low temperature does not change much and its dynamic viscosity is also small.展开更多
基金the National Science Foundation (29773021) and Provisional Educational Foundation of Jiangsu (98KJB150001).
文摘Mulliken, NPA, MK and CHelpG population analyses have been accomplished at the level of MP2/6-31G（d,p） for the title system. The variations of four kinds of charges on NH3 with intermolecular distance infer that electron transfers from NH3 to H2O. MK and CHelpG population analyses indicate more electron transfer than Mulliken and NPA ones. The atomic charges resulted from MK and CHelpG schemes infer that electron transfers from N in NH3 to H in H2O, which confirms that this bimolecular complex possesses linear structure as H3N…HOH.
文摘This paper is focused on the cascade refrigeration cycle using natural refrigerant CO 2-NH 3. The properties of refrigerants CO 2 and NH 3 are introduced and analyzed.CO 2 has the advantage in low stage of cascade refrigeration cycle due to its good characteristics and properties. The thermodynamic analysis results of the CO 2-NH 3 cascade refrigeration cycle demonstrates that the cycle has an optimum condensation temperature of low stage and also has an optimum flow rate ratio.By comparing with the R13-R22 and NH 3-NH 3 cascade refrigeration cycles, the mass flow rate ratio of CO 2-NH 3 is larger than those of R13-R22 and NH 3-NH 3, the theoretical COP of CO 2-NH 3 cascade refrigeration cycle is larger than that of the R13-R22 cascade cycle and smaller than that of the NH 3-NH 3 cascade cycle. But the real COP of CO 2-NH 3 cascade cycle will be higher than those of R13-R22 and NH 3-NH 3 because the specific volume of CO 2 at low temperature does not change much and its dynamic viscosity is also small.
