1c:I[419806,["/_next/static/chunks/bb923814e1f4d2e9.js","/_next/static/chunks/dd3ee9f5b7716ca6.js","/_next/static/chunks/4204a0ae82542ca8.js","/_next/static/chunks/30036bedc5269936.js","/_next/static/chunks/6e1aa89a642f40be.js","/_next/static/chunks/cd5e572bc3e4eb92.js","/_next/static/chunks/8ffd0b71567920d8.js","/_next/static/chunks/67ea6dfd21f16c5f.js","/_next/static/chunks/24eb4379f68013fd.js","/_next/static/chunks/b8cd775ffdf935bd.js","/_next/static/chunks/983103cd9eb7b428.js","/_next/static/chunks/d4ac9dcf27f6ff52.js","/_next/static/chunks/294b9525248c8e5f.js"],"default"] 1d:T4a4,Multiwfn is a multifunctional program for wavefunction analysis. Its main functions are: (1) Calculating and visualizing real space function, such as electrostatic potential and electron localization function at point, in a line, in a plane or in a spatial scope. (2) Population analysis. (3) Bond order analysis. (4) Orbital composition analysis. (5) Plot density-of-states and spectrum. (6) Topology analysis for electron density. Some other useful utilities involved in quantum chemistry studies are also provided. The built-in graph module enables the results of wavefunction analysis to be plotted directly or exported to high-quality graphic file. The program interface is very user-friendly and suitable for both research and teaching purpose. The code of Multiwfn is substantially optimized and parallelized. Its efficiency is demonstrated to be significantly higher than related programs with the same functions. Five practical examples involving a wide variety of systems and analysis methods are given to illustrate the usefulness of Multiwfn. The program is free of charge and open-source. Its precompiled file and source codes are available from http://multiwfn.codeplex.com.1e:T443,Abstract A simple technique is described for calculating the adsorption equilibria for components in a gaseous mixture, using only data for the pure‐component adsorption equilibria at the same temperature and on the same adsorbent. The proposed technique is based on the concept of an ideal adsorbed solution and, using classical surface thermodynamics, an expression analogous to Raoult's law is obtained. The essential idea of the calculation lies in the recognition that in an ideal solution the partial pressure of an adsorbed component is given by the product of its mole fraction in the adsorbed phase and the pressure which it would exert as a pure adsorbed component at the same temperature and spreading pressure as those of the mixture. Predicted isotherms give excellent agreement with experimental data for methane‐ethane and ethylene‐carbon dioxide on activated carbon and for carbon monoxide‐oxygen and propane‐propylene on silica gel. The simplicity of the calculation, which requires no data for the mixture, makes it especially useful for engineering applications.1f:T484,Purification of ethylene (C₂H₄), the largest-volume product of the chemical industry, currently involves energy-intensive processes such as chemisorption (CO₂ removal), catalytic hydrogenation (C₂H₂ conversion), and cryogenic distillation (C₂H₆ separation). Although advanced physisorbent or membrane separation could lower the energy input, one-step removal of multiple impurities, especially trace impurities, has not been feasible. We introduce a synergistic sorbent separation method for the one-step production of polymer-grade C₂H₄ from ternary (C₂H₂/C₂H₆/C₂H₄) or quaternary (CO₂/C₂H₂/C₂H₆/C₂H₄) gas mixtures with a series of physisorbents in a packed-bed geometry. We synthesized ultraselective microporous metal-organic materials that were readily regenerated, including one that was selective for C₂H₆ over CO₂, C₂H₂, and C₂H₄.

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