吸附动力学:古典的,碎形的,还是分数的?
Evangelos Bakalis1, Francesco Zerbetto1
1Dipartimento di Chimica "G. Ciamician", Università di Bologna, V. P. Gobetti 85, 40129 Bologna, Italy.
Langmuir : the ACS journal of surfaces and colloids
|July 21, 2025
概括
这项研究引入了微积分计算来建模吸附动力学,提供了一个超越经典和分数模型的新框架. 这种方法捕捉了记忆效应,提供了对吸附过程的更细致的理解.
科学领域:
- 化学工程是化学工程的重要组成部分.
- 物理化学 物理化学
- 材料科学 材料科学 材料科学
背景情况:
- 吸附动力学通常由基于度依赖速率的伪顺序模型描述.
- 经典和碎形模型在描述非理想条件下的吸附动力学方面存在局限性.
研究的目的:
- 为模拟吸附动力学引入分数计算.
- 为伪第一阶的分数动力学和高阶的递归关系提出解决方案.
- 讨论这些分数模型在吸附过程中的应用.
主要方法:
- 审查了现象学伪秩序模型.
- 分数计算应用于吸附动力学,引入分数顺序导数.
- 使用分析和数值方法来导出和呈现模型解决方案.
主要成果:
- 分数建模捕捉了碎形模型中缺少的记忆效应.
- 获得了伪第一阶分数动力学的详细表达式.
- 提供了可接受数值处理的更高阶分数动态的递归关系.
结论:
- 分数计算为描述吸附动力学提供了一个强大的框架,特别是在存在记忆效应时.
- 与古典和分数方法相比,提出的分数模型提供了对吸附过程的更全面的理解.
- 这项工作为吸附科学和工程研究开辟了新的途径.
相关概念视频
One-Compartment Open Model: Wagner-Nelson and Loo Riegelman Method for ka Estimation
721
This lesson introduces two critical methods in pharmacokinetics, the Wagner-Nelson and Loo-Riegelman methods, used for estimating the absorption rate constant (ka) for drugs administered via non-intravenous routes. The Wagner-Nelson method relates ka to the plasma concentration derived from the slope of a semilog percent unabsorbed time plot. However, it is limited to drugs with one-compartment kinetics and can be impacted by factors like gastrointestinal motility or enzymatic degradation.
On...
On...
721
Fundamental Mathematical Principles in Pharmacokinetics: Rate and Order of Reaction
651
In pharmacokinetics, the rates and order of reactions play a crucial role in understanding how the body processes drugs and help us comprehend drug absorption, distribution, metabolism, and elimination. A critical concept in pharmacokinetics is the rate constant, which quantifies the speed of a reaction. It provides valuable information about the kinetics of drug elimination. The rate constant allows us to determine the rate at which drugs are eliminated from the body.
Pharmacokinetic reactions...
Pharmacokinetic reactions...
651
One-Compartment Open Model for Extravascular Administration: First-Order Absorption Model
307
The first-order absorption model for extravascular administration describes the rate at which a drug is absorbed and eliminated, following the principles of first-order kinetics. This model is vital as it provides a mathematical representation of drug behavior within the body. It also allows for the prediction and interpretation of drug absorption and elimination based on the rate of change in drug concentration over time. This model can be visualized as a plasma concentration-time profile...
307
Analysis Methods of Pharmacokinetic Data: Model and Model-Independent Approaches
228
Drug disposition in the body is a complex process and can be studied using two major approaches: the model and the model-independent approaches.
The model approach uses mathematical models to describe changes in drug concentration over time. Pharmacokinetic models help characterize drug behavior in patients, predict drug concentration in the body fluids, calculate optimum dosage regimens, and evaluate the risk of toxicity. However, ensuring that the model fits the experimental data accurately...
The model approach uses mathematical models to describe changes in drug concentration over time. Pharmacokinetic models help characterize drug behavior in patients, predict drug concentration in the body fluids, calculate optimum dosage regimens, and evaluate the risk of toxicity. However, ensuring that the model fits the experimental data accurately...
228
Quantitative Aspects of Drug-Receptor Interaction
1.2K
The receptor occupancy theory connects a drug's response to the number of occupied receptors. With higher drug concentrations, more receptors are occupied, leading to increased responses. The formation of drug-receptor complexes involves association and dissociation rates, which reach equilibrium when the forward and backward reactions are equal. The equilibrium association constant (Ka) and its inverse, the equilibrium dissociation constant (Kd), indicate drug affinity. Higher Ka and lower...
1.2K
Fundamental Mathematical Principles in Pharmacokinetics: Calculus and Graphs
2.0K
The fundamental mathematical principles, such as calculus and graphs, play crucial roles in analyzing drug movement and determining pharmacokinetic parameters. Differential calculus examines rates of change and helps to determine the dissolution rate of drugs in biofluids, as well as how drug concentrations change over time. For instance, it can help calculate the rate of elimination of a drug from the body based on its concentration-time profile.
On the other hand, integral calculus focuses on...
On the other hand, integral calculus focuses on...
2.0K


