The aspects of safety and occupational health have been included as part of the design criteria in many process and molecular design problems. However, the main design objectives of these works are the molecular properties and process variables that offer the optimized process objective. Safety and health criteria are not strongly emphasized in these problems, since they are often introduced as design constraints or are not evaluated in an extensive manner. In this research, a novel simultaneous process-molecular design framework by incorporating safety and occupational health aspects is presented to ensure the developed system does not pose much harm. The hazard level is evaluated with the utilization of safety and health indexes to examine chemical properties and process conditions that may bring about potential risks. The overall hazard level is quantified through the use of index scores. The proposed strategy is demonstrated on a gas-absorption case study to design a solvent with its corresponding process that has optimized property functionalities, process performance, and safety and health attributes. This framework allows user to identify the process or molecular factors that may contribute to high risk potential, so that the appropriate safety and health measures can be implemented in the designed process.

在许多过程和分子设计问题中，安全性和职业健康方面已作为设计标准的一部分。但是，这些工作的主要设计目标是提供最佳工艺目标的分子特性和工艺变量。这些问题并未特别强调安全和健康标准，因为它们通常是作为设计约束而引入的，或者没有得到广泛的评估。在这项研究中，通过结合安全和职业健康方面提出了一种新颖的同步过程分子设计框架，以确保所开发的系统不会造成太大危害。利用安全和健康指标评估危害等级，以检查可能带来潜在风险的化学性质和工艺条件。总体危害水平通过使用指数评分来量化。拟议的策略在气体吸收案例研究中得到证明，该案例旨在设计一种溶剂及其相应的工艺，该工艺具有优化的特性功能，工艺性能以及安全和健康属性。该框架使用户可以识别可能导致高风险的过程或分子因素，从而可以在设计过程中实施适当的安全和健康措施。