另外，研究人员模拟的是一个碳氢链在水中的情况，并未告诉我们脂类之间相互作用的热力学情况。
In addition, these are simulations of a single hydrocarbon chain in water, and so they don't tell us about the energetics of lipid-lipid interactions.
由于本文的研究采用格点模型模拟方法，为了选取一种合适的折叠模式，本文比较了两种折叠模式的热力学和动力学性质。
In order to select one for the following simulation, the thermodynamic and kinetic properties of a lattice protein model by using the two move sets were calculated and compared.
本文从热力学角度出发，对天然气低温液化流程模拟与优化进行了详细的研究。
In text, the research in simulation and optimization of the LNG are studied from the thermodynamics.
本文对实际气体的统计热力学模型及气液相平衡进行了计算机模拟。
In this article, we did computer simulation for the statistical thermodynamic model of real gas and its vapor-liquid phase equilibria.
并根据热力学理论、流体力学等理论，运用仿真技术对冷藏集装箱制冷系统主要部件和冷藏集装箱冷藏室内的流场温度场建立数学模型和进行模拟仿真。
Then. based on the theory of thermodynamics and the theory of hydrodynamics, applying simulation technique to theorize mathematics model of the key component of refrigerated containers .
采用状态方程和溶液理论相结合而建立了能模拟石蜡沉积的气液固三相相平衡热力学模型。
A thermodynamic model of the gas_liquid_solid three phases equilibria is presented, combing an equation of state with a solution theory.
结果表明：利用非对称点阵易于模拟格点规范场的热力学行为，也易于讨论趋向连续物理的各种极限。
The results show that the use of asymmetric lattice is of benefit to calculate the thermodynamical quantities and study the behavior of continuum physics limits.
采用实验室模拟的方法研究了松花江自然水体生物膜、悬浮颗粒物和沉积物吸附铅、镉的热力学规律。
The adsorption thermodynamic characteristics of Pb and Cd onto natural biofilm, suspended solids and sediments collected from Songhua River were firstly investigated.
为模拟激光介质的温度、热应力的分布和变化，建立了激光介质热力学计算模型。
The thermodynamic model was established for analyzing the temperature and the thermal stress in laser medium.
通过选用合适的热力学模型，模拟计算了不同种类的冷凝介质，不同组成分率对聚合体系物性的影响。
With a suitable thermodynamics model, a simulation was taken to investigate the effects of various fraction of various inert medium on the heat properties of polymerization system.
为了研究非平衡态热力学理论在具体的冶金过程中的应用，本文用该理论模拟计算了转炉的炼钢过程，并建立了该过程的数学模型。
In order to study the application of nonequilibrium thermodynamics in specific metallurgical process, this article simulates steelmaking process with this theory and establishes a mathematical model.
应用PROCESS模拟程序，对乙二醇装置进行了流程模拟计算，确定了单元操作模型及热力学方法，计算结果与国外设计数据相吻合。
The process simulation is performed for ethylene glycol plant by using the PROCESS simulation programme, and the unit operation model and the thermodynamic method are determined.
在对气液界面层内热力学性质研究中，对计算机分子动力学模拟体系切片的划分影响着对其热力学性质的统计。
In the process of studying on the liquid-vapor interface, the number of slabs of system will influence the conduct of working out statistic thermodynamics properties.
储存过程中LNG的气液两相组成和热力学性质一直随着液体的蒸发而不断变化的，模拟计算时需要对LNG热物性进行计算。
Composition and thermodynamics character of LNG vapor and liquid vary as liquid's vaporizing, so LNG physical characteristic must be calculated in the simulate process.
通过对新系统的过程模拟，文中研究了新系统的能量特性和热力学的机理；
The performance of the new system is simulated, and the influences of heat-source temperature on the performances of refrigeration and heat-supply are discussed.
热力学和动力学模拟；
利用改变模拟柴油起始浓度的方法，测定喹啉和吲哚在改性硅胶上吸附的吸附等温线，研究吸附等温线的类型和吸附热力学。
Draw adsorption isotherms of quinoline and indole absorb on modified silica gel by changing the initial concentration and study the type of adsorption isotherms and thermodynamics.
对非热力学平衡滴定分析模型进行模拟研究。
Titration model for thermodynamically non-equilibrium titration was investigated with the simulated systems and a new endpoint-determining method was evaluated.
基于热力学平衡计算，用计算机模拟研究了与高岭石固相平衡的酸性天然地表水中铝的形态分布，讨论了影响铝形态分布的各种因素。
This paper presents a computer simulation to investigate the speciation of aluminum in acidic natural waters equilibria with mineral kaolinite based on the chemical equilibrium calculation.
结果表明：RKS方程是较适宜应用于吸收稳定系统的热力学模型，其模拟计算结果与工业标定数据吻合较好；
Results showed that RKS equation is a suitable thermodynamic model for absorption-stabilization system, its simulation results are in good agreement with the data from commercial performance test.
介绍了用分子动力学模拟与热力学积分法相结合 ，模拟蛋白质与配体的绝对结合自由能的方法 。
Molecular dynamics simulation and thermodynamic integration method were used to calculate the absolute binding free energy of the protein- ligand complex.
得到了与地层流体相匹配的热力学参数场，为其后的数值模拟提供了所需的状态方程热力学参数。
Obtain the thermodynamic parameter field matching with formation liquid and provide the necessary thermodynamic parameters of state equation for the following numerical simulation.
通过化学热力学平衡模拟，研究了在不同烟气温度下汞从元素态汞转化为二价汞的规律，并与小型实验结果进行了比较。
Simulations were carried out to study the effects of different compositions, such as O2, HCl, NO and SO2 on the mercury transformation.
通过化学热力学平衡模拟，研究了在不同烟气温度下汞从元素态汞转化为二价汞的规律，并与小型实验结果进行了比较。
Simulations were carried out to study the effects of different compositions, such as O2, HCl, NO and SO2 on the mercury transformation.
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