Use the Reactions forms to specify stoichiometry[/ˌstɔɪkɪˈɑːmətrɪ/] and rate parameters for rate-controlled and nonelectrolyte equilibrium reactions. These parameters are used by:使用反应表格为速率控制和非电解质的平衡反应定义反应计量数和速率参数。Models | For |
|---|
RadFrac | Reactive distillation 反应精馏 |
RCSTR, RPlug, and RBatch | Kinetics-based reactions 基于反应动力学的反应器 |
Pres-Relief | Depressurizing calculations in reactive systems反应系统的降压计算 |
Aspen Plus provides power law and user-defined kinetics models. You can use the generalized Langmuir-Hinshelwood-Hougen-Watson (LHHW) kinetic model for reactor models and Pres-Relief. You can also use these forms to define nonelectrolyte[ˌnɑːniˈlektrəlaɪt] equilibrium[/ˌiːkwɪˈlɪbriəm/] reactions. However, RPlug, RBatch, and the Pres-Relief systems do not allow equilibrium reactions.Aspen Plus 提供幂律（指数型）和用户定义的动力学模型。Supply an ID to identify each set of reactions and data that you define. Use these reaction IDs to identify reactions on other forms, such as the RCSTR form or RadFrac Reactions sheet.To modify or view an existing set of reactions, select an existing reaction ID. You do not have to define the set of reactions on the Reactions forms before using other forms in Aspen Plus. When the system prompts you for a reaction ID, you can enter a new or existing ID. If you enter a new ID, you must define the set of reactions on the Reactions forms before running the simulation.Use Reactions forms as follows:
Use this form | To define |
|---|
General | A mixture of power-law, LHHW, and GLHHW reactions in the same reaction set.(相较于LHHW，GLHHW模型的吸附参数参考了共享数据集) |
LHHW | LHHW reactions to be used with RCSTR, RPlug, RBatch, and Pres-Relief. |
Power Law | Power law reactions to be used with RCSTR, RPlug, RBatch, and Pres-Relief. |
Reactive Distillation | Reactions to be used with RadFrac.反应精馏 |
User-Define | User kinetics to be used with RCSTR, RPlug, RBatch, RadFrac, and Pres-Relief. |
ACM User | A custom reaction model imported from Aspen Custom Modeler. |
Use the following Reaction forms to define reactions for Aspen Polymers:Use this form | To define |
|---|
Emulsion | Free-radical emulsion type polymerization kinetics. |
Free-Rad | Free-radical polymerization kinetics. |
Ionic | Anionic, cationic, and group transfer polymerization reactions. |
Segment-Bas | Reactions involving polymer segments and non-polymeric species. |
Step-Growth | Step-growth polymerization reactions. |
Ziegler-Nat | Ziegler-Natta catalyst polymerization reactions. |
LHHW反应模型基于经典的Langmuir-Hinshelwood机理，即两个反应物先吸附在固体催化剂上，在表面上反应，产物再脱附。这种机理认为表面反应是控制步骤，吸附与脱附速度远大于表面反应速度。![]()
LHHW表达式：r = 动力学因子*推动力 / 吸附项
通过选择适当的参数，可以使用LHHW来模拟其他反应速率形式，例如Michaelis-Menten、Monod或幂定律。
动力学因子：
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上述两个公式为修正后的阿伦尼乌斯方程。
输入数据：
温度指数n（第一个公式中的n通常为-1~1之间，输入为0则表示对温度不修正，第二个公式中n通常为不大于4的整数或半整数），推动力表达式：
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上述平衡常数公式，反映了温度T对平衡常数的影响，需要填写的数据为：A、B、C、D四个参数。
吸附项：
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其中 ![]()
和推动力一样需要填写的数据为：A、B、C、D四个参数
如果不存在吸附过程的影响,则只需令m=0即可。
POWER LAW模型
表达式：
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输入数据：参见前文LHHW模型
单位
反应速率的单位kmol/s-（基准），基准为单位体积或单位公斤的催化剂。
反应活性的影响
ASPEN可以在化学反应定义活性的影响，一个反应的净反应速率是用反应的固有速率和与该反应有关的所有反应活性等级的乘积来计算的。
反应平衡常数公式
对于LHHW和POWER LAW模型，其反应平衡常数表达式是相同的。![]()
