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化学计算法

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The control volume integration was applied to deduce the discrete expressions of the convection-diffusion equations. The staggered grid and SIMPLE algorithm were introduced to deal with coupling between pressure and velocity, and then the numerical computation expressions of such variables as fluid flow velocity and pressure were deduced. Using the backward difference method and incremental theory to discretize the governing equations for fields of chemical reaction, material structure and chemorheology, the numerical computation expressions of variables such as the monomer conversion, average molecular weight and fluid viscosity were constructed.

应用控制容积积分法导出了对流—扩散方程的离散表达式,引入交错网格技术与SIMPLE算法,实现了耦合的压力场与速度场的分离式求解,推导得到了流体的流动速度、压力等物理量的数值计算式;采用向后差分方法和增量方法,实现了化学反应场、材料结构场、化学流变场控制方程的离散,获得了反应转化率、聚合物平均相对分子质量、流体黏度等物理量的数值计算式。

Phosphorus generation fully originates from reduction reaction of hypophosphorous during EN process.

利用量子化学软件高斯03(G03)分子轨道理论中的从头计算法,计算了次亚磷酸在还原过程中可能的中间产物和过渡态的振动频率和总能量。

Applied quantum chemistry calculating method and a series of calculating program, ground state energies of Cu-O four bonds which was periodical structure unit of CuO〓 plane, were calculated.

应用量子化学ABINTIO计算法,采用系列程序,分别计算了Cu-O单键、线形Cu-O双键,以及Bi系超导体CuO〓面的周期性结构单元Cu-O四键,在不同的几何构型下的基态能量,并计算了相应于CuO〓面的Cu-O四键在平衡几何构型下的一系列激发态能量。

推荐网络例句

As she looked at Warrington's manly face, and dark, melancholy eyes, she had settled in her mind that he must have been the victim of an unhappy attachment.

每逢看到沃林顿那刚毅的脸,那乌黑、忧郁的眼睛,她便会相信,他一定作过不幸的爱情的受害者。

Maybe they'll disappear into a pothole.

也许他们将在壶穴里消失

But because of its youthful corporate culture—most people are hustled out of the door in their mid-40s—it had no one to send.

但是因为该公司年轻的企业文化——大多数员工在40来岁的时候都被请出公司——一时间没有好的人选。