ADmoND: MathWorks Matlab Package for simulation of monolayer adsorption processes in nano devices

ADmoNDv2 can be used as a MATLAB toolbox or a MATLAB application. Both versions allow for flexible investigations of adsorption-desorption processes in time domain and in frequency domain, whereby the process itself may be treated as a deterministic or a stochastic one. Some system parameters are stored in an Microsoft Office Excel file and some can be accessed or modified through dialogues. Graphical user interface (GUI) for ADmoND is based on MATLAB GUI for figure handling. Original task ribbon is extended with three new tabs: System, Evolutions and Equilibrium.
System tab is equipped with buttons that activate dialogues for setting the environmental parameters like temperature, effective sensing (adsorbent) area and reaction chamber volume and composition of an adsorbate mixture. These dialogues are for communicating with Microsoft Office Excel file where parameters are stored. Button Visual aims to give stills and animations. It produces figures that show system of adsorbate species with different molecular projection areas (some calculations are coded for adsorbate particles that occupy more than 1 adsorption center).
Evolutions tab is equipped with buttons that activate calculations of time evolutions of adsorbed particles on the surface for system defined by the use of System tab. One can choose calculations applicable to nonlinear model of adsorption based on nonlinear Riccati equations or calculations applicable to linear Lagergren pseudo first order kinetic model. Button Hold Toggle aims for keeping or discarding obtained diagrams which makes ADmoND a versatile tool which allows quick and convenient quantitative and qualitative analysis of various adsorption-based systems with ease.
Equilibrium tab is equipped with buttons that activate calculations of equilibrium coverage and power spectral densities of stochastic variables in the system. Genuinely, the number of adsorbed particles on the surface is a stochastic variable, thus every other variable related to this number is also stochastic. In resonant micro structures fluctuations in number of adsorbate particles cause fluctuations in resonating frequency and in refractometric adsorption based sensors we have fluctuations in refractive index change caused by the same mechanism. Since these fluctuations are pressure or temperature dependent, buttons for 3D profiling of adsorption induced fluctuations are also added. Here also, one can use Hold Toggle button in order to change temperature for instance and then observe the impact of temperature rise on the position of knees and low frequency noise magnitudes in typical Lorentzian spectra in the same diagram.
This is beta version, some functions may happen untested, but all are available upon request from [e-mail] .

ADmoNDv2 可作为 MATLAB 工具箱或 MATLAB 应用程序使用。两种版本均允许在时域和频域内对吸附-解吸过程进行灵活探究，其中过程本身可视为确定性或随机性。部分系统参数存储在 Microsoft Office Excel 文件中，而部分参数可通过对话框进行访问或修改。ADmoND 的图形用户界面（GUI）基于 MATLAB 图形处理 GUI 构建。原始任务功能区扩展了三个新的标签页：系统、演化和平衡。系统标签页配备有激活设置环境参数（如温度、有效传感（吸附剂）面积和反应室体积以及吸附剂混合物组成）对话框的按钮。这些对话框用于与存储参数的 Microsoft Office Excel 文件进行通信。视觉按钮旨在提供静态图像和动画。它生成的图像展示了具有不同分子投影面积的吸附物种系统（部分计算针对占据多个吸附中心的吸附粒子）。演化和平衡标签页配备有激活由系统标签页定义的系统中吸附粒子表面时间演化的计算按钮。可以选择适用于基于非线性 Riccati 方程的吸附非线性模型或适用于线性 Lagergren 伪一级动力学模型的计算。保持切换按钮旨在保留或丢弃获得的图表，使 ADmoND 成为一种多功能工具，可轻松进行各种基于吸附系统的定量和定性分析。平衡标签页配备有激活计算系统随机变量的平衡覆盖率和功率谱密度的按钮。实际上，表面吸附粒子的数量是一个随机变量，因此与该数量相关的所有其他变量也都是随机的。在谐振微结构中，吸附粒子数量的波动会导致谐振频率的波动，在折射率变化传感器的吸附中，由于相同的机制，我们观察到折射率变化的波动。由于这些波动依赖于压力或温度，因此还添加了吸附诱导波动三维轮廓分析的按钮。在这里，也可以使用保持切换按钮来改变温度，例如，然后观察温度升高对图中典型洛伦兹线谱中膝部位置和低频噪声幅值的影响。这是测试版本，一些功能可能未经测试，但所有功能均可根据需求从 [e-mail] 获取。