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用解析Ross变分微扰理论研究蛋白质盐溶液的渗透压
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作者 薛新英 孙久勋 莫文娟 《化学学报》 SCIE CAS CSCD 北大核心 2005年第18期1713-1719,共7页
采用软球三Yukawa势代替文献中的硬核双Yukawa势描述带电蛋白质分子之间的色散吸引、色散排斥和屏蔽静电排斥作用,采用Ross变分微扰理论推导出解析状态方程(EOS),克服了文献中常用的平均球近似对多Yukawa势存在的困难.应用新理论研究了... 采用软球三Yukawa势代替文献中的硬核双Yukawa势描述带电蛋白质分子之间的色散吸引、色散排斥和屏蔽静电排斥作用,采用Ross变分微扰理论推导出解析状态方程(EOS),克服了文献中常用的平均球近似对多Yukawa势存在的困难.应用新理论研究了牛血清蛋白(BSA)-NaCl水溶液在不同pH值、不同浓度下的渗透压.结果表明该理论独立参数的个数仅比林阳政等人最近提出的理论多一个,而精确度有很大提高.分析表明,对于分子量大的蛋白质溶液体系采用新的软球理论比硬球理论会有明显的改进. 展开更多
关键词 蛋白质盐溶液 渗透压 Ross微扰理论 解析状态方程 三Yukawa势 蛋白质分子 理论研究 微扰 变分 解析
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解析式状态方程计算含临界点方阱流体的性质
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作者 马华 张庆印 +2 位作者 陈健 李以圭 陆九芳 《计算机与应用化学》 CAS CSCD 北大核心 2003年第3期229-232,共4页
含临界区流体的物性计算一直是热力学领域的难点。一般认为,解析式状态方程不可能同时很好地计算远离临界点和靠近临界点流体的热力学性质。该文目的就是验证解析式方程在计算热力学性质特别是接近临界点附近的热力学性质适用性。通过... 含临界区流体的物性计算一直是热力学领域的难点。一般认为,解析式状态方程不可能同时很好地计算远离临界点和靠近临界点流体的热力学性质。该文目的就是验证解析式方程在计算热力学性质特别是接近临界点附近的热力学性质适用性。通过计算机分子模拟数据,研究了各种解析式状态方程计算接近临界区的方阱流体的物性的可能性,结果表明,经过参数重新拟合新的解析式方程,可以很好地计算方阱流体的相平衡、密度等性质,直到对比温度接近临界点0.05处。临界点温度、压力和密度的计算值和分子模拟值也基本符合。该文结果可以为解析式方程计算范围的扩大提供依据,从而说明解析式在工程方面有更加广泛的应用。 展开更多
关键词 解析状态方程 计算 临界点 方阱流体 热力学性质 计算机分子模拟
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Three Semi-empirical Analytic Expressions for the Radial Distribution Function of Hard Spheres
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作者 SUNJiu-Xun CAILing-Gang +1 位作者 WUQiang JINGFu-Qian 《Communications in Theoretical Physics》 SCIE CAS CSCD 2004年第3期400-404,共5页
Three simple analytic expressions satisfying the limitation condition at low densities for the radial distribution function of hard spheres are developed in terms of a polynomial expansion of nonlinear base functions ... Three simple analytic expressions satisfying the limitation condition at low densities for the radial distribution function of hard spheres are developed in terms of a polynomial expansion of nonlinear base functions and the Carnahan-Starling equation of state. The simplicity and precision for these expressions are superior to the well-known Percus Yevick expression. The coefficients contained in these expressions have been determined by fitting the Monte Carlo data for the first coordination shell, and by fitting both the Monte Carlo data and the numerical results of PercusYevick expression for the second coordination shell. One of the expressions has been applied to develop an analytic equation of state for the square-well fluid, and the numerical results are in good agreement with the computer simulation data. 展开更多
关键词 radial distribution function hard spheres equation of state square-well fluids
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Effect of Spatial Dimension and External Potential on Joule-Thomson Coefficients of Ideal Bose Gases
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作者 袁都奇 王参军 《Communications in Theoretical Physics》 SCIE CAS CSCD 2010年第4期669-672,共4页
Based on the form of the n-dimensional generic power-law potential, the state equation and the heat capacity, the analytical expressions of the Joule-Thomson coefficient (3TC) for an ideal Bose gas are derived in n-... Based on the form of the n-dimensional generic power-law potential, the state equation and the heat capacity, the analytical expressions of the Joule-Thomson coefficient (3TC) for an ideal Bose gas are derived in n-dimensional potential. The effect of the spatial dimension and the external potential on the JTC are discussed, respectively. These results show that: (i) For the free ideal Bose gas, when n/s ≤ 2 (n is the spatial dimension, s is the momentum index in the relation between the energy and the momentum), and T → Tc (Tc is the critical temperature), the JTC can obviously improve by means of changing the throttle valve's shape and decreasing the spatial dimension of gases. (ii) For the inhomogeneous external potential, the discriminant △= [1 - y∏^ni=1(kT/εi)^1/tiГ(1/ti+1)] (k is the Boltzmann Constant, T is the thermodynamic temperature, ε is the external field's energy), is obtained. The potential makes the JTC increase when △ 〉 0, on the contrary, it makes the JTC decrease when A 〈△. (iii) In the homogenous strong external potential, the JTC gets the maximum on the condition of kTεi〈〈1. 展开更多
关键词 ideal Bose gases Joule-Thomson coefficient spatial dimension external potential field
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A Modern Method for Analyzing Thermal Energy System with System State Equation and Analytical Formula of Performance Index 被引量:1
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作者 Chunfa ZHANG Liping LI Huijie WANG Ning ZHAO 《Journal of Thermal Science》 SCIE EI CAS CSCD 2007年第1期90-96,共7页
This paper addresses overall performance analysis of coal-fired power unit. From the point of view of system engineering, a general steam-water distribution equation of the thermal plant system is presented. This syst... This paper addresses overall performance analysis of coal-fired power unit. From the point of view of system engineering, a general steam-water distribution equation of the thermal plant system is presented. This system state equation is an exact expression combining system topological structure and system properties. Through proper mathematic transform, the inner relationship and interaction between the main system and auxiliary system are revealed and its general form is given. An analytical formula for the heat consumption rote of thermal power plant is one direct fruit of the equation, which greatly facilitate the online analyzing and optimizing of complex thermal system. The new approach, with the aid of modem data acquiring technology, is a perfect extension of the traditional analysis method based on the First Law of Thermodynamics. 展开更多
关键词 steam-water distribution equation heat consumption rate thermal system thermodynamic analysis.
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