液体核磁共振中基于偶极场理论的扩散行为模拟

Simulation of diffusion behaviors in liquid NMR based on dipolar field theory

通过偶极场理论和密度算符公式相结合推导同核双组分核自旋体系在CRAZED脉冲序列作用下非线性演化的理论表述.采用粒子随机行走模型与偶极场理论相结合的方法,模拟自由扩散的核自旋体系在偶极场作用下非线性演化的特殊性质.模拟与理论预测的结果吻合得很好.

In this paper, theoretical expressions of nonlinear evolution were derived for two - component homonuclear spin system under the COSY - revamped by asymmetric Z gradient echo detection （CRAZED） pulse sequence from the combination of the dipolar field theory and product operator formalism. Computer simulations based on the random walk model and dipolar field theory were performed to gain insight into the nonlinear evolution properties of free - diffusion one - and two - component spin systems. The simulation results agree well with theoretical predictions.